smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](c1nnc(C[NH+](C)C)o1)c1cccc([N+](=O)[O-])c1 ZINC001118372390 815007507 /nfs/dbraw/zinc/00/75/07/815007507.db2.gz VIESAZJJRKTEKA-VIFPVBQESA-N 1 2 276.296 2.191 20 5 CEBDLO C[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1(F)F ZINC001169014394 811336445 /nfs/dbraw/zinc/33/64/45/811336445.db2.gz ZBIOLOLHYWOPHP-GMTAPVOTSA-N 1 2 262.300 2.409 20 5 CEBDLO C[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1(F)F ZINC001169014394 811336453 /nfs/dbraw/zinc/33/64/53/811336453.db2.gz ZBIOLOLHYWOPHP-GMTAPVOTSA-N 1 2 262.300 2.409 20 5 CEBDLO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1nncn1C ZINC000037016543 361884690 /nfs/dbraw/zinc/88/46/90/361884690.db2.gz LGFPCJWJXPEXEG-UWVGGRQHSA-N 1 2 275.312 2.135 20 5 CEBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2cccnc2)CC1 ZINC000022091449 343378666 /nfs/dbraw/zinc/37/86/66/343378666.db2.gz GSHYAQIZAKPJIC-UHFFFAOYSA-N 1 2 298.346 2.312 20 5 CEBDLO Cc1c(C[N@H+]2CCOC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000051687578 343552479 /nfs/dbraw/zinc/55/24/79/343552479.db2.gz TYQVUFCLIBJQTH-JTQLQIEISA-N 1 2 250.298 2.124 20 5 CEBDLO Cc1c(C[N@@H+]2CCOC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000051687578 343552482 /nfs/dbraw/zinc/55/24/82/343552482.db2.gz TYQVUFCLIBJQTH-JTQLQIEISA-N 1 2 250.298 2.124 20 5 CEBDLO CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000063729233 343682218 /nfs/dbraw/zinc/68/22/18/343682218.db2.gz XHWUQPYYOHJBKW-UHFFFAOYSA-N 1 2 286.291 2.015 20 5 CEBDLO O=[N+]([O-])c1cnc(Nc2ccc(N3CCCC3)[nH+]c2)nc1 ZINC000273172950 192065540 /nfs/dbraw/zinc/06/55/40/192065540.db2.gz MTCGDEJTRJOTMZ-UHFFFAOYSA-N 1 2 286.295 2.124 20 5 CEBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@H](C)C1 ZINC000075587942 343858092 /nfs/dbraw/zinc/85/80/92/343858092.db2.gz PAJAPKPZOVGBCK-QWRGUYRKSA-N 1 2 250.298 2.377 20 5 CEBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@H](C)C1 ZINC000075587942 343858095 /nfs/dbraw/zinc/85/80/95/343858095.db2.gz PAJAPKPZOVGBCK-QWRGUYRKSA-N 1 2 250.298 2.377 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC12CCC2 ZINC000081563150 344057804 /nfs/dbraw/zinc/05/78/04/344057804.db2.gz VGPFXEYFLIZNMY-UHFFFAOYSA-N 1 2 289.335 2.470 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC12CCC2 ZINC000081563150 344057808 /nfs/dbraw/zinc/05/78/08/344057808.db2.gz VGPFXEYFLIZNMY-UHFFFAOYSA-N 1 2 289.335 2.470 20 5 CEBDLO CCc1nn(C)c(NCCc2cc[nH+]cc2C)c1[N+](=O)[O-] ZINC000091674294 344169955 /nfs/dbraw/zinc/16/99/55/344169955.db2.gz KVXVWZZVNYWCKC-UHFFFAOYSA-N 1 2 289.339 2.249 20 5 CEBDLO CCOC1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000091676336 344170178 /nfs/dbraw/zinc/17/01/78/344170178.db2.gz PXERQDMNZYHPEF-UHFFFAOYSA-N 1 2 280.324 2.301 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(SCC[NH+]2CCOCC2)c1 ZINC000090069713 344135796 /nfs/dbraw/zinc/13/57/96/344135796.db2.gz VKPKVNASURWTSW-UHFFFAOYSA-N 1 2 282.365 2.328 20 5 CEBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC1CCOCC1 ZINC000093284251 344218197 /nfs/dbraw/zinc/21/81/97/344218197.db2.gz AKKHJPODWITUHN-UHFFFAOYSA-N 1 2 280.324 2.159 20 5 CEBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC1CCOCC1 ZINC000093284251 344218200 /nfs/dbraw/zinc/21/82/00/344218200.db2.gz AKKHJPODWITUHN-UHFFFAOYSA-N 1 2 280.324 2.159 20 5 CEBDLO Cc1cc([N+](=O)[O-])cnc1NC[C@H](C)Cn1cc[nH+]c1 ZINC000092612548 344196669 /nfs/dbraw/zinc/19/66/69/344196669.db2.gz RUZWRJBQKXKEIZ-JTQLQIEISA-N 1 2 275.312 2.243 20 5 CEBDLO C[C@@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000235181427 344589750 /nfs/dbraw/zinc/58/97/50/344589750.db2.gz CLPIQFUZFJXLHS-VHSXEESVSA-N 1 2 288.307 2.299 20 5 CEBDLO C[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1nncn1C ZINC000050444068 362420514 /nfs/dbraw/zinc/42/05/14/362420514.db2.gz MSWZJZQBGRCGQE-MRVPVSSYSA-N 1 2 295.730 2.228 20 5 CEBDLO Cc1[nH+]cccc1Cn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000589256515 345073779 /nfs/dbraw/zinc/07/37/79/345073779.db2.gz QVWMSBPCELQQLL-UHFFFAOYSA-N 1 2 258.281 2.420 20 5 CEBDLO CC(C)[NH+]1CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000589105610 345065721 /nfs/dbraw/zinc/06/57/21/345065721.db2.gz SHDXXXZOEVGNHH-UHFFFAOYSA-N 1 2 284.747 2.174 20 5 CEBDLO Cc1ccc(S(=O)(=O)Nc2cc[nH+]cc2)c([N+](=O)[O-])c1 ZINC000105565116 232194277 /nfs/dbraw/zinc/19/42/77/232194277.db2.gz UHEOLQCTBHFCFK-UHFFFAOYSA-N 1 2 293.304 2.099 20 5 CEBDLO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1cocn1 ZINC000594510351 345640684 /nfs/dbraw/zinc/64/06/84/345640684.db2.gz COKVYOFEMGCPHA-LBPRGKRZSA-N 1 2 259.265 2.360 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1cocn1 ZINC000595024117 345729526 /nfs/dbraw/zinc/72/95/26/345729526.db2.gz WIIYLZIPRCUPKE-SECBINFHSA-N 1 2 277.280 2.442 20 5 CEBDLO Cc1noc(C[N@H+]2CCS[C@@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000595319855 345761779 /nfs/dbraw/zinc/76/17/79/345761779.db2.gz DMFPVPVHFFZHCI-BDAKNGLRSA-N 1 2 271.342 2.217 20 5 CEBDLO Cc1noc(C[N@@H+]2CCS[C@@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000595319855 345761782 /nfs/dbraw/zinc/76/17/82/345761782.db2.gz DMFPVPVHFFZHCI-BDAKNGLRSA-N 1 2 271.342 2.217 20 5 CEBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC1=CCCOC1 ZINC000595747269 345865124 /nfs/dbraw/zinc/86/51/24/345865124.db2.gz JVNKGKDTBTYFMQ-UHFFFAOYSA-N 1 2 278.308 2.079 20 5 CEBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC1=CCCOC1 ZINC000595747269 345865125 /nfs/dbraw/zinc/86/51/25/345865125.db2.gz JVNKGKDTBTYFMQ-UHFFFAOYSA-N 1 2 278.308 2.079 20 5 CEBDLO COC(=O)[C@H]1C[C@@H]([N@H+](C)Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000595847330 345898210 /nfs/dbraw/zinc/89/82/10/345898210.db2.gz FMWZFSGBAQGJGJ-AOOOYVTPSA-N 1 2 296.298 2.117 20 5 CEBDLO COC(=O)[C@H]1C[C@@H]([N@@H+](C)Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000595847330 345898213 /nfs/dbraw/zinc/89/82/13/345898213.db2.gz FMWZFSGBAQGJGJ-AOOOYVTPSA-N 1 2 296.298 2.117 20 5 CEBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1c(F)cccc1[N+](=O)[O-] ZINC000596430326 346021282 /nfs/dbraw/zinc/02/12/82/346021282.db2.gz LRRGHTXIBLAEKO-MNOVXSKESA-N 1 2 297.330 2.255 20 5 CEBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1c(F)cccc1[N+](=O)[O-] ZINC000596430326 346021284 /nfs/dbraw/zinc/02/12/84/346021284.db2.gz LRRGHTXIBLAEKO-MNOVXSKESA-N 1 2 297.330 2.255 20 5 CEBDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000596621005 346066486 /nfs/dbraw/zinc/06/64/86/346066486.db2.gz UTGCCHQLGCRIRT-VXGBXAGGSA-N 1 2 286.291 2.071 20 5 CEBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC[C@@H](CO)C1 ZINC000599016486 346446935 /nfs/dbraw/zinc/44/69/35/346446935.db2.gz QDZMZTRPOSCLMH-LLVKDONJSA-N 1 2 287.319 2.352 20 5 CEBDLO CC[C@@H](O)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599090513 346458443 /nfs/dbraw/zinc/45/84/43/346458443.db2.gz LXDMHWHMSKKIPX-SNVBAGLBSA-N 1 2 261.281 2.326 20 5 CEBDLO O=[N+]([O-])c1cccc(F)c1NC1CC([NH+]2CCOCC2)C1 ZINC000599095018 346459797 /nfs/dbraw/zinc/45/97/97/346459797.db2.gz OQYHZEUTUIBLGA-UHFFFAOYSA-N 1 2 295.314 2.009 20 5 CEBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CC[C@@]2(O)C[C@H]2C1 ZINC000599107027 346461223 /nfs/dbraw/zinc/46/12/23/346461223.db2.gz KEIGQLMXHFLFGH-XHDPSFHLSA-N 1 2 285.303 2.104 20 5 CEBDLO Cc1cc(NCC(C)(C)n2cc[nH+]c2)ncc1[N+](=O)[O-] ZINC000601198240 346784210 /nfs/dbraw/zinc/78/42/10/346784210.db2.gz SGPSNSXKBJGMLU-UHFFFAOYSA-N 1 2 275.312 2.342 20 5 CEBDLO Cc1n[nH]cc1C[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000602940315 347252086 /nfs/dbraw/zinc/25/20/86/347252086.db2.gz FNCUWVKQLVCPQO-UHFFFAOYSA-N 1 2 278.287 2.397 20 5 CEBDLO Cc1n[nH]cc1C[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000602940315 347252091 /nfs/dbraw/zinc/25/20/91/347252091.db2.gz FNCUWVKQLVCPQO-UHFFFAOYSA-N 1 2 278.287 2.397 20 5 CEBDLO O=[N+]([O-])c1ncccc1NCCc1cn2ccccc2[nH+]1 ZINC000603845206 347391497 /nfs/dbraw/zinc/39/14/97/347391497.db2.gz LPYBKTJGDWFIPC-UHFFFAOYSA-N 1 2 283.291 2.292 20 5 CEBDLO O=[N+]([O-])c1ccccc1Oc1cc(-n2cc[nH+]c2)ncn1 ZINC000610128495 347661447 /nfs/dbraw/zinc/66/14/47/347661447.db2.gz QLONWDASUUKJFL-UHFFFAOYSA-N 1 2 283.247 2.363 20 5 CEBDLO O=[N+]([O-])c1cnccc1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609132743 347627034 /nfs/dbraw/zinc/62/70/34/347627034.db2.gz HSDPTVKLSAPXPZ-LLVKDONJSA-N 1 2 273.296 2.028 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(NCC[N@H+]2CCOC[C@@H]2C)c1 ZINC000610677448 347700839 /nfs/dbraw/zinc/70/08/39/347700839.db2.gz JJZAEYLCQXTLCK-LBPRGKRZSA-N 1 2 279.340 2.036 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(NCC[N@@H+]2CCOC[C@@H]2C)c1 ZINC000610677448 347700841 /nfs/dbraw/zinc/70/08/41/347700841.db2.gz JJZAEYLCQXTLCK-LBPRGKRZSA-N 1 2 279.340 2.036 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]21 ZINC000610762452 347711999 /nfs/dbraw/zinc/71/19/99/347711999.db2.gz FIQCKJITGYBQAU-FZMZJTMJSA-N 1 2 289.335 2.326 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]21 ZINC000610762452 347712002 /nfs/dbraw/zinc/71/20/02/347712002.db2.gz FIQCKJITGYBQAU-FZMZJTMJSA-N 1 2 289.335 2.326 20 5 CEBDLO CC1(C)C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCCO1 ZINC000611272366 347761870 /nfs/dbraw/zinc/76/18/70/347761870.db2.gz BLXYLQITFVZJFA-UHFFFAOYSA-N 1 2 280.324 2.301 20 5 CEBDLO CC1(C)C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCCO1 ZINC000611272366 347761872 /nfs/dbraw/zinc/76/18/72/347761872.db2.gz BLXYLQITFVZJFA-UHFFFAOYSA-N 1 2 280.324 2.301 20 5 CEBDLO Cn1cc[nH+]c1CNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000130383819 365949766 /nfs/dbraw/zinc/94/97/66/365949766.db2.gz XHYCFZSAWCTDBR-UHFFFAOYSA-N 1 2 283.291 2.489 20 5 CEBDLO Cc1nnc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])[nH]1 ZINC000292167911 198188596 /nfs/dbraw/zinc/18/85/96/198188596.db2.gz PJOXEABNIZLDDQ-UHFFFAOYSA-N 1 2 275.312 2.046 20 5 CEBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCOC2(CCC2)C1 ZINC000154314432 188135018 /nfs/dbraw/zinc/13/50/18/188135018.db2.gz FOQSJNIELSZIDB-UHFFFAOYSA-N 1 2 292.335 2.229 20 5 CEBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCOC2(CCC2)C1 ZINC000154314432 188135019 /nfs/dbraw/zinc/13/50/19/188135019.db2.gz FOQSJNIELSZIDB-UHFFFAOYSA-N 1 2 292.335 2.229 20 5 CEBDLO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000292525765 198320374 /nfs/dbraw/zinc/32/03/74/198320374.db2.gz WPAZEDXJFOKEQN-WPRPVWTQSA-N 1 2 256.327 2.002 20 5 CEBDLO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000292525765 198320376 /nfs/dbraw/zinc/32/03/76/198320376.db2.gz WPAZEDXJFOKEQN-WPRPVWTQSA-N 1 2 256.327 2.002 20 5 CEBDLO Cc1cn(Cc2cn3cc(Cl)ccc3[nH+]2)nc1[N+](=O)[O-] ZINC000337939632 366185741 /nfs/dbraw/zinc/18/57/41/366185741.db2.gz ZTXACMRXSVRIPI-UHFFFAOYSA-N 1 2 291.698 2.449 20 5 CEBDLO O=[N+]([O-])c1ccc(OCC[NH+]2CC(C(F)(F)F)C2)cc1 ZINC000570365228 299255804 /nfs/dbraw/zinc/25/58/04/299255804.db2.gz PEYKFKJXPCTFSH-UHFFFAOYSA-N 1 2 290.241 2.468 20 5 CEBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@](F)(CO)C1 ZINC000338629224 366447454 /nfs/dbraw/zinc/44/74/54/366447454.db2.gz YIDUHLWPHQEAFL-ZWNOBZJWSA-N 1 2 268.288 2.062 20 5 CEBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@](F)(CO)C1 ZINC000338629224 366447460 /nfs/dbraw/zinc/44/74/60/366447460.db2.gz YIDUHLWPHQEAFL-ZWNOBZJWSA-N 1 2 268.288 2.062 20 5 CEBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCOCC23CCC3)c1 ZINC000135509884 366449277 /nfs/dbraw/zinc/44/92/77/366449277.db2.gz MDLOESZIEKCUEL-UHFFFAOYSA-N 1 2 262.309 2.350 20 5 CEBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCOCC23CCC3)c1 ZINC000135509884 366449281 /nfs/dbraw/zinc/44/92/81/366449281.db2.gz MDLOESZIEKCUEL-UHFFFAOYSA-N 1 2 262.309 2.350 20 5 CEBDLO O=[N+]([O-])c1cc(Cl)cnc1NCCCn1cc[nH+]c1 ZINC000148459385 366581162 /nfs/dbraw/zinc/58/11/62/366581162.db2.gz FDCWKDDWJHIBOJ-UHFFFAOYSA-N 1 2 281.703 2.342 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000339010435 366613028 /nfs/dbraw/zinc/61/30/28/366613028.db2.gz BNVMWZMLLXNBIA-BXUZGUMPSA-N 1 2 292.335 2.301 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000339010435 366613031 /nfs/dbraw/zinc/61/30/31/366613031.db2.gz BNVMWZMLLXNBIA-BXUZGUMPSA-N 1 2 292.335 2.301 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1cnccn1 ZINC000178729337 189141296 /nfs/dbraw/zinc/14/12/96/189141296.db2.gz XSAVTDFODYHKQV-SNVBAGLBSA-N 1 2 288.307 2.244 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000339170980 366688697 /nfs/dbraw/zinc/68/86/97/366688697.db2.gz JTOZUIYKGKZFGX-OAHLLOKOSA-N 1 2 292.335 2.303 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000339170980 366688703 /nfs/dbraw/zinc/68/87/03/366688703.db2.gz JTOZUIYKGKZFGX-OAHLLOKOSA-N 1 2 292.335 2.303 20 5 CEBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC=CCC3)n2)c1 ZINC000004299910 361310357 /nfs/dbraw/zinc/31/03/57/361310357.db2.gz CLUVHVVNUMWPNQ-UHFFFAOYSA-N 1 2 286.291 2.407 20 5 CEBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC=CCC3)n2)c1 ZINC000004299910 361310360 /nfs/dbraw/zinc/31/03/60/361310360.db2.gz CLUVHVVNUMWPNQ-UHFFFAOYSA-N 1 2 286.291 2.407 20 5 CEBDLO O=[N+]([O-])c1ccc(N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000008177729 361341936 /nfs/dbraw/zinc/34/19/36/361341936.db2.gz CUOTYNOZPMJLBX-UHFFFAOYSA-N 1 2 284.319 2.316 20 5 CEBDLO Cc1ccc([C@@H](C)[NH2+]Cc2c[nH]cn2)cc1[N+](=O)[O-] ZINC000088750553 363919665 /nfs/dbraw/zinc/91/96/65/363919665.db2.gz GVBZFKPHIIHAAG-SNVBAGLBSA-N 1 2 260.297 2.477 20 5 CEBDLO COC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C(C)C ZINC000094775821 364295142 /nfs/dbraw/zinc/29/51/42/364295142.db2.gz UKMRRDVOBHFODH-UHFFFAOYSA-N 1 2 284.287 2.117 20 5 CEBDLO COC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C(C)C ZINC000094775821 364295143 /nfs/dbraw/zinc/29/51/43/364295143.db2.gz UKMRRDVOBHFODH-UHFFFAOYSA-N 1 2 284.287 2.117 20 5 CEBDLO C[C@@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)c1nncn1C ZINC000112837105 364849014 /nfs/dbraw/zinc/84/90/14/364849014.db2.gz WQVMIGPRGIFIAF-MRVPVSSYSA-N 1 2 295.730 2.228 20 5 CEBDLO C[C@@H]([NH2+][C@@H](C)c1ncn(C)n1)c1ccc([N+](=O)[O-])cc1 ZINC000275772621 193124913 /nfs/dbraw/zinc/12/49/13/193124913.db2.gz TWBNLWYQSOJHRX-ZJUUUORDSA-N 1 2 275.312 2.135 20 5 CEBDLO CC[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1c(C)noc1C ZINC000348139058 368915347 /nfs/dbraw/zinc/91/53/47/368915347.db2.gz VUWCUGYJDVEVGS-SNVBAGLBSA-N 1 2 293.327 2.174 20 5 CEBDLO Cc1cnc(C(C)(C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)s1 ZINC000348096514 368895294 /nfs/dbraw/zinc/89/52/94/368895294.db2.gz MOVCETHSNHRMAS-UHFFFAOYSA-N 1 2 295.368 2.118 20 5 CEBDLO O=C(C[N@@H+]1CCCC2(CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000186996797 369082812 /nfs/dbraw/zinc/08/28/12/369082812.db2.gz VHXVFLCLAKRJCQ-UHFFFAOYSA-N 1 2 289.335 2.409 20 5 CEBDLO O=C(C[N@H+]1CCCC2(CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000186996797 369082818 /nfs/dbraw/zinc/08/28/18/369082818.db2.gz VHXVFLCLAKRJCQ-UHFFFAOYSA-N 1 2 289.335 2.409 20 5 CEBDLO Cn1cc[nH+]c1CNc1ccnc2c1cccc2[N+](=O)[O-] ZINC000214748421 370172151 /nfs/dbraw/zinc/17/21/51/370172151.db2.gz NRWIKEAIEIMBCA-UHFFFAOYSA-N 1 2 283.291 2.489 20 5 CEBDLO O=[N+]([O-])c1cccnc1NCc1ccn2cc[nH+]c2c1 ZINC000354398687 370346226 /nfs/dbraw/zinc/34/62/26/370346226.db2.gz ZHGJJNXQJISVGW-UHFFFAOYSA-N 1 2 269.264 2.250 20 5 CEBDLO Cn1c[nH+]c2cc(Nc3ncc([N+](=O)[O-])cn3)ccc21 ZINC000354583437 370421161 /nfs/dbraw/zinc/42/11/61/370421161.db2.gz WAOAPKGOKLGTFX-UHFFFAOYSA-N 1 2 270.252 2.015 20 5 CEBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@H](C)C1 ZINC000266538222 372049337 /nfs/dbraw/zinc/04/93/37/372049337.db2.gz PAJAPKPZOVGBCK-GHMZBOCLSA-N 1 2 250.298 2.377 20 5 CEBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@H](C)C1 ZINC000266538222 372049342 /nfs/dbraw/zinc/04/93/42/372049342.db2.gz PAJAPKPZOVGBCK-GHMZBOCLSA-N 1 2 250.298 2.377 20 5 CEBDLO CC(C)C[C@H]([NH3+])c1noc(-c2cc(O)cc([N+](=O)[O-])c2)n1 ZINC000414617735 375879861 /nfs/dbraw/zinc/87/98/61/375879861.db2.gz LQVIRTXSMPXVJF-NSHDSACASA-N 1 2 292.295 2.396 20 5 CEBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(C[NH2+]C)no1 ZINC000414639087 375892429 /nfs/dbraw/zinc/89/24/29/375892429.db2.gz GBILWYLCKNVQFR-LLVKDONJSA-N 1 2 290.323 2.434 20 5 CEBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@](F)(CO)C1 ZINC000289884507 376543214 /nfs/dbraw/zinc/54/32/14/376543214.db2.gz SHKILVSDUFPBRP-YFCVBGDOSA-N 1 2 294.326 2.404 20 5 CEBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@](F)(CO)C1 ZINC000289884507 376543222 /nfs/dbraw/zinc/54/32/22/376543222.db2.gz SHKILVSDUFPBRP-YFCVBGDOSA-N 1 2 294.326 2.404 20 5 CEBDLO C[N@H+](CCCO)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000310069521 376613680 /nfs/dbraw/zinc/61/36/80/376613680.db2.gz STKFMQKHJHZEDQ-UHFFFAOYSA-N 1 2 258.705 2.062 20 5 CEBDLO C[N@@H+](CCCO)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000310069521 376613685 /nfs/dbraw/zinc/61/36/85/376613685.db2.gz STKFMQKHJHZEDQ-UHFFFAOYSA-N 1 2 258.705 2.062 20 5 CEBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@H]1CCCOC1 ZINC000330446595 377137604 /nfs/dbraw/zinc/13/76/04/377137604.db2.gz XYEBRGZQPZBPOV-LLVKDONJSA-N 1 2 280.324 2.159 20 5 CEBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@H]1CCCOC1 ZINC000330446595 377137606 /nfs/dbraw/zinc/13/76/06/377137606.db2.gz XYEBRGZQPZBPOV-LLVKDONJSA-N 1 2 280.324 2.159 20 5 CEBDLO CO[C@]1(C)CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000330455214 377141770 /nfs/dbraw/zinc/14/17/70/377141770.db2.gz MXYOFUYILKAGKX-CQSZACIVSA-N 1 2 280.324 2.301 20 5 CEBDLO CO[C@]1(C)CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000330455214 377141773 /nfs/dbraw/zinc/14/17/73/377141773.db2.gz MXYOFUYILKAGKX-CQSZACIVSA-N 1 2 280.324 2.301 20 5 CEBDLO CC(C)[C@@H]1C[N@H+](C)CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330894482 377202197 /nfs/dbraw/zinc/20/21/97/377202197.db2.gz FJLVXVOFQCUNOX-HNNXBMFYSA-N 1 2 293.367 2.072 20 5 CEBDLO CC(C)[C@@H]1C[N@@H+](C)CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330894482 377202203 /nfs/dbraw/zinc/20/22/03/377202203.db2.gz FJLVXVOFQCUNOX-HNNXBMFYSA-N 1 2 293.367 2.072 20 5 CEBDLO CC[C@](C)([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000265442717 190182505 /nfs/dbraw/zinc/18/25/05/190182505.db2.gz QMUSYMLEAYCNSX-AWEZNQCLSA-N 1 2 280.324 2.069 20 5 CEBDLO Cn1cc[nH+]c1[C@@H](Nc1ccc([N+](=O)[O-])nc1)C1CC1 ZINC000450530082 378462161 /nfs/dbraw/zinc/46/21/61/378462161.db2.gz OYZGOCVLFBDENS-LBPRGKRZSA-N 1 2 273.296 2.287 20 5 CEBDLO C[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000298729384 378816100 /nfs/dbraw/zinc/81/61/00/378816100.db2.gz SBSYNUWAZMQRGP-NWDGAFQWSA-N 1 2 280.324 2.083 20 5 CEBDLO C[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000298729384 378816105 /nfs/dbraw/zinc/81/61/05/378816105.db2.gz SBSYNUWAZMQRGP-NWDGAFQWSA-N 1 2 280.324 2.083 20 5 CEBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@](F)(CO)C1 ZINC000347366102 218208025 /nfs/dbraw/zinc/20/80/25/218208025.db2.gz IKNABKQIXLJTKS-SMDDNHRTSA-N 1 2 282.315 2.452 20 5 CEBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@](F)(CO)C1 ZINC000347366102 218208027 /nfs/dbraw/zinc/20/80/27/218208027.db2.gz IKNABKQIXLJTKS-SMDDNHRTSA-N 1 2 282.315 2.452 20 5 CEBDLO O=[N+]([O-])c1cnc2c(c1)C[N@H+](Cc1ccc(CO)cc1)CC2 ZINC000347778143 218354097 /nfs/dbraw/zinc/35/40/97/218354097.db2.gz CICBVYCQKHNOOE-UHFFFAOYSA-N 1 2 299.330 2.040 20 5 CEBDLO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](Cc1ccc(CO)cc1)CC2 ZINC000347778143 218354099 /nfs/dbraw/zinc/35/40/99/218354099.db2.gz CICBVYCQKHNOOE-UHFFFAOYSA-N 1 2 299.330 2.040 20 5 CEBDLO CCn1cc[nH+]c1/C=C\C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000492296926 380510088 /nfs/dbraw/zinc/51/00/88/380510088.db2.gz GYSBPVGACZFIDK-FPLPWBNLSA-N 1 2 286.291 2.463 20 5 CEBDLO O=[N+]([O-])c1ccc(Cl)cc1N1CCn2c[nH+]cc2C1 ZINC000290570964 285117460 /nfs/dbraw/zinc/11/74/60/285117460.db2.gz BCYZICODURVPSK-UHFFFAOYSA-N 1 2 278.699 2.465 20 5 CEBDLO CC(C)OCC[NH+]1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000302028438 394471394 /nfs/dbraw/zinc/47/13/94/394471394.db2.gz RFILVVBBYGZAHE-UHFFFAOYSA-N 1 2 299.396 2.203 20 5 CEBDLO C[C@@H]1C[C@H](C[NH+]=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)[C@H](C)O1 ZINC000413540839 394578122 /nfs/dbraw/zinc/57/81/22/394578122.db2.gz VGXRECVBKFDUAN-KXUCPTDWSA-N 1 2 290.323 2.118 20 5 CEBDLO COC[C@@H]1C[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000275874029 394809191 /nfs/dbraw/zinc/80/91/91/394809191.db2.gz PAHUIBIWRVBMND-XQQFMLRXSA-N 1 2 294.351 2.392 20 5 CEBDLO COC[C@@H]1C[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000275874029 394809193 /nfs/dbraw/zinc/80/91/93/394809193.db2.gz PAHUIBIWRVBMND-XQQFMLRXSA-N 1 2 294.351 2.392 20 5 CEBDLO C[C@@H]1CSCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284191853 394941764 /nfs/dbraw/zinc/94/17/64/394941764.db2.gz RZDXWMDZWSBXKI-SECBINFHSA-N 1 2 297.336 2.440 20 5 CEBDLO C[C@@H]1CSCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284191853 394941771 /nfs/dbraw/zinc/94/17/71/394941771.db2.gz RZDXWMDZWSBXKI-SECBINFHSA-N 1 2 297.336 2.440 20 5 CEBDLO CC(C)[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000339137604 394945922 /nfs/dbraw/zinc/94/59/22/394945922.db2.gz RNEBRHRQFJYNNO-HNNXBMFYSA-N 1 2 293.367 2.072 20 5 CEBDLO CC(C)[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000339137604 394945926 /nfs/dbraw/zinc/94/59/26/394945926.db2.gz RNEBRHRQFJYNNO-HNNXBMFYSA-N 1 2 293.367 2.072 20 5 CEBDLO Cc1cc(CNc2ccc([N+](=O)[O-])c(C)n2)cc(C)[nH+]1 ZINC000420646170 395400974 /nfs/dbraw/zinc/40/09/74/395400974.db2.gz AORRDWNQCVMJBK-UHFFFAOYSA-N 1 2 272.308 2.344 20 5 CEBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](C/C=C/Cl)CC1 ZINC000096999256 296514659 /nfs/dbraw/zinc/51/46/59/296514659.db2.gz IFSYCQSFNZKJJR-ZZXKWVIFSA-N 1 2 281.743 2.469 20 5 CEBDLO COc1cc(C[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000351983278 286220522 /nfs/dbraw/zinc/22/05/22/286220522.db2.gz HMKLPHGUMZDZFR-GHMZBOCLSA-N 1 2 280.324 2.213 20 5 CEBDLO C[C@@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1[nH]cc[nH+]1 ZINC000552559213 298479984 /nfs/dbraw/zinc/47/99/84/298479984.db2.gz RXRVLURNQGBYNF-MRVPVSSYSA-N 1 2 299.290 2.290 20 5 CEBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000347331136 287152422 /nfs/dbraw/zinc/15/24/22/287152422.db2.gz GBWDLRQMIBOKAX-FZMZJTMJSA-N 1 2 282.315 2.452 20 5 CEBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@](F)(CO)C1 ZINC000347331136 287152427 /nfs/dbraw/zinc/15/24/27/287152427.db2.gz GBWDLRQMIBOKAX-FZMZJTMJSA-N 1 2 282.315 2.452 20 5 CEBDLO CC(C)(C)[C@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])C(N)=O ZINC000119425620 279749142 /nfs/dbraw/zinc/74/91/42/279749142.db2.gz DDNGPLDLSZBCEI-LLVKDONJSA-N 1 2 299.758 2.238 20 5 CEBDLO Cn1cc[nH+]c1CN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135237977 280040342 /nfs/dbraw/zinc/04/03/42/280040342.db2.gz RYKXZOOEJHCRMP-UHFFFAOYSA-N 1 2 286.335 2.493 20 5 CEBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H](C)O1 ZINC000094774144 288214709 /nfs/dbraw/zinc/21/47/09/288214709.db2.gz UZCSQNAAYBRKDK-AOOOYVTPSA-N 1 2 268.288 2.343 20 5 CEBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H](C)O1 ZINC000094774144 288214710 /nfs/dbraw/zinc/21/47/10/288214710.db2.gz UZCSQNAAYBRKDK-AOOOYVTPSA-N 1 2 268.288 2.343 20 5 CEBDLO COc1cc[nH+]cc1CNc1nc(C)ccc1[N+](=O)[O-] ZINC000431478724 281302665 /nfs/dbraw/zinc/30/26/65/281302665.db2.gz RNCIUDSZLLHVCK-UHFFFAOYSA-N 1 2 274.280 2.314 20 5 CEBDLO CC(C)(C)c1nnc(C[NH2+]Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC000459714838 290215973 /nfs/dbraw/zinc/21/59/73/290215973.db2.gz TYFBPNOXACYWKX-UHFFFAOYSA-N 1 2 289.339 2.300 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)c1ncnn1C ZINC000530440101 298071584 /nfs/dbraw/zinc/07/15/84/298071584.db2.gz FLWCNCCDVUTULB-WDEREUQCSA-N 1 2 289.339 2.444 20 5 CEBDLO Cc1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)c(C)c[nH+]1 ZINC000534299336 313379887 /nfs/dbraw/zinc/37/98/87/313379887.db2.gz WVWCADYRCUJMDR-UHFFFAOYSA-N 1 2 289.266 2.420 20 5 CEBDLO C[C@H]1CC([NH+]=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)C[C@H](C)O1 ZINC000580694465 322335486 /nfs/dbraw/zinc/33/54/86/322335486.db2.gz XKZYBFUKWZDXDL-IUCAKERBSA-N 1 2 290.323 2.261 20 5 CEBDLO C[C@@H]1C[C@@H]([NH+]=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)C[C@H](C)O1 ZINC000580694462 322335734 /nfs/dbraw/zinc/33/57/34/322335734.db2.gz XKZYBFUKWZDXDL-ILWJIGKKSA-N 1 2 290.323 2.261 20 5 CEBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](Cc3nccs3)C2)c1 ZINC000369014714 527417498 /nfs/dbraw/zinc/41/74/98/527417498.db2.gz BGGOQCAWQAXJES-JTQLQIEISA-N 1 2 293.352 2.085 20 5 CEBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](Cc3nccs3)C2)c1 ZINC000369014714 527417501 /nfs/dbraw/zinc/41/75/01/527417501.db2.gz BGGOQCAWQAXJES-JTQLQIEISA-N 1 2 293.352 2.085 20 5 CEBDLO O=[N+]([O-])c1cc(F)c(N2CC(n3cc[nH+]c3)C2)c(F)c1 ZINC000749320846 575213644 /nfs/dbraw/zinc/21/36/44/575213644.db2.gz BAMQWFQPPBPXAR-UHFFFAOYSA-N 1 2 280.234 2.131 20 5 CEBDLO Cc1nn(C[N@@H+]2CCC(C)=C(C)C2)c(C)c1[N+](=O)[O-] ZINC000794879084 629345705 /nfs/dbraw/zinc/34/57/05/629345705.db2.gz DXEDACDTEZKOIH-UHFFFAOYSA-N 1 2 264.329 2.408 20 5 CEBDLO Cc1nn(C[N@H+]2CCC(C)=C(C)C2)c(C)c1[N+](=O)[O-] ZINC000794879084 629345708 /nfs/dbraw/zinc/34/57/08/629345708.db2.gz DXEDACDTEZKOIH-UHFFFAOYSA-N 1 2 264.329 2.408 20 5 CEBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H](F)C2)c1 ZINC000902994829 634923213 /nfs/dbraw/zinc/92/32/13/634923213.db2.gz JCPXCTBHMCKDQE-DGCLKSJQSA-N 1 2 268.288 2.062 20 5 CEBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@H](F)C2)c1 ZINC000902994829 634923216 /nfs/dbraw/zinc/92/32/16/634923216.db2.gz JCPXCTBHMCKDQE-DGCLKSJQSA-N 1 2 268.288 2.062 20 5 CEBDLO Cc1ccc(C[NH2+][C@H]2CCn3ccnc32)cc1[N+](=O)[O-] ZINC000824522605 635440697 /nfs/dbraw/zinc/44/06/97/635440697.db2.gz YITHEOITYOXUFD-LBPRGKRZSA-N 1 2 272.308 2.334 20 5 CEBDLO CC1(C)CCC[NH2+][C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000232951307 641294699 /nfs/dbraw/zinc/29/46/99/641294699.db2.gz NXJDRCYREQMUNP-LBPRGKRZSA-N 1 2 293.323 2.017 20 5 CEBDLO Cc1nn(C[N@@H+]2CCC[C@H](OC3CCC3)C2)cc1[N+](=O)[O-] ZINC000848496497 642013830 /nfs/dbraw/zinc/01/38/30/642013830.db2.gz DINGKASTHCVADD-ZDUSSCGKSA-N 1 2 294.355 2.091 20 5 CEBDLO Cc1nn(C[N@H+]2CCC[C@H](OC3CCC3)C2)cc1[N+](=O)[O-] ZINC000848496497 642013833 /nfs/dbraw/zinc/01/38/33/642013833.db2.gz DINGKASTHCVADD-ZDUSSCGKSA-N 1 2 294.355 2.091 20 5 CEBDLO CC(C)(O)[C@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000877796978 650913887 /nfs/dbraw/zinc/91/38/87/650913887.db2.gz OJKMHQPYRPFBRC-LBPRGKRZSA-N 1 2 294.351 2.283 20 5 CEBDLO CC(C)(O)[C@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000877796978 650913888 /nfs/dbraw/zinc/91/38/88/650913888.db2.gz OJKMHQPYRPFBRC-LBPRGKRZSA-N 1 2 294.351 2.283 20 5 CEBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[NH+](C1CC1)C1CC1 ZINC000863302663 646699629 /nfs/dbraw/zinc/69/96/29/646699629.db2.gz IFQOBZSLQKJXQR-UHFFFAOYSA-N 1 2 289.291 2.087 20 5 CEBDLO Cc1nc(NC(=O)c2cccc3[nH+]ccn32)ccc1[N+](=O)[O-] ZINC000777003538 647102261 /nfs/dbraw/zinc/10/22/61/647102261.db2.gz UNPFUTQWTQIXPC-UHFFFAOYSA-N 1 2 297.274 2.198 20 5 CEBDLO CCCn1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000865418367 647284374 /nfs/dbraw/zinc/28/43/74/647284374.db2.gz IMMQFOYSPYMVLH-NSHDSACASA-N 1 2 289.339 2.447 20 5 CEBDLO Cc1cccc(C(=O)OCCc2c[nH+]cn2C)c1[N+](=O)[O-] ZINC000789777307 648341374 /nfs/dbraw/zinc/34/13/74/648341374.db2.gz SLLLVYHWOIOJEV-UHFFFAOYSA-N 1 2 289.291 2.036 20 5 CEBDLO CCN(CC)C(=O)C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872029281 649245812 /nfs/dbraw/zinc/24/58/12/649245812.db2.gz VUUOWMCYRJEOAB-SNVBAGLBSA-N 1 2 297.330 2.253 20 5 CEBDLO CCN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872066811 649260921 /nfs/dbraw/zinc/26/09/21/649260921.db2.gz QUYCQSFCFZMLCH-UWVGGRQHSA-N 1 2 297.330 2.251 20 5 CEBDLO CC[C@@H]1COCC[N@@H+]1CCNc1ccc([N+](=O)[O-])s1 ZINC000872772683 649481983 /nfs/dbraw/zinc/48/19/83/649481983.db2.gz YVVPNBJSVNWAST-SNVBAGLBSA-N 1 2 285.369 2.179 20 5 CEBDLO CC[C@@H]1COCC[N@H+]1CCNc1ccc([N+](=O)[O-])s1 ZINC000872772683 649481986 /nfs/dbraw/zinc/48/19/86/649481986.db2.gz YVVPNBJSVNWAST-SNVBAGLBSA-N 1 2 285.369 2.179 20 5 CEBDLO C[C@H](OCC[NH+]1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC001210206709 802652415 /nfs/dbraw/zinc/65/24/15/802652415.db2.gz IKIGPNPLFJLXKG-LBPRGKRZSA-N 1 2 280.324 2.005 20 5 CEBDLO C[C@H](OCC[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC001210225676 802657933 /nfs/dbraw/zinc/65/79/33/802657933.db2.gz YTLFZVWKBGASQP-LBPRGKRZSA-N 1 2 280.324 2.005 20 5 CEBDLO COc1cccc(NCc2cc[nH+]c(N)c2)c1[N+](=O)[O-] ZINC001167617585 803204273 /nfs/dbraw/zinc/20/42/73/803204273.db2.gz QGORGFDCBROBTK-UHFFFAOYSA-N 1 2 274.280 2.193 20 5 CEBDLO COc1cc([N+](=O)[O-])cnc1NCCCCn1cc[nH+]c1 ZINC001119948325 815175343 /nfs/dbraw/zinc/17/53/43/815175343.db2.gz GRQGVUMPMYQJSV-UHFFFAOYSA-N 1 2 291.311 2.087 20 5 CEBDLO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[NH2+]CC(F)(F)C1 ZINC001173222047 815626057 /nfs/dbraw/zinc/62/60/57/815626057.db2.gz OQBWPNHJCIKAMA-NSHDSACASA-N 1 2 299.321 2.066 20 5 CEBDLO Cc1c(CN(C)Cc2[nH+]ccn2C)cccc1[N+](=O)[O-] ZINC000124627195 187146604 /nfs/dbraw/zinc/14/66/04/187146604.db2.gz LPTWGWFLMLKTHO-UHFFFAOYSA-N 1 2 274.324 2.269 20 5 CEBDLO COc1ncccc1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037650195 361917985 /nfs/dbraw/zinc/91/79/85/361917985.db2.gz XPLZOHPGOIWSDJ-UHFFFAOYSA-N 1 2 279.321 2.350 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1NC[C@H](C)[NH+]1CCOCC1 ZINC000080553773 344013918 /nfs/dbraw/zinc/01/39/18/344013918.db2.gz RZZVVPUHFDNHDF-LBPRGKRZSA-N 1 2 279.340 2.036 20 5 CEBDLO CN(C)c1ccc(Nc2ncccc2[N+](=O)[O-])c[nH+]1 ZINC000023618970 343382272 /nfs/dbraw/zinc/38/22/72/343382272.db2.gz LVRYKUHCHUSJHB-UHFFFAOYSA-N 1 2 259.269 2.194 20 5 CEBDLO Cc1cnc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC000088605479 344112472 /nfs/dbraw/zinc/11/24/72/344112472.db2.gz ZOIMHHGXVNWSLC-UHFFFAOYSA-N 1 2 284.319 2.252 20 5 CEBDLO Cc1cnc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC000088605479 344112474 /nfs/dbraw/zinc/11/24/74/344112474.db2.gz ZOIMHHGXVNWSLC-UHFFFAOYSA-N 1 2 284.319 2.252 20 5 CEBDLO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093482061 344225316 /nfs/dbraw/zinc/22/53/16/344225316.db2.gz ZQABMDDBNVOEGN-PWSUYJOCSA-N 1 2 280.324 2.036 20 5 CEBDLO C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093482061 344225317 /nfs/dbraw/zinc/22/53/17/344225317.db2.gz ZQABMDDBNVOEGN-PWSUYJOCSA-N 1 2 280.324 2.036 20 5 CEBDLO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000092546173 344194503 /nfs/dbraw/zinc/19/45/03/344194503.db2.gz PHLZZUPQLVQKJK-LBPRGKRZSA-N 1 2 293.323 2.113 20 5 CEBDLO CCC[N@H+]1CCC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000092546173 344194505 /nfs/dbraw/zinc/19/45/05/344194505.db2.gz PHLZZUPQLVQKJK-LBPRGKRZSA-N 1 2 293.323 2.113 20 5 CEBDLO CC[N@H+](CCC(F)(F)F)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602453096 347039697 /nfs/dbraw/zinc/03/96/97/347039697.db2.gz LWVPDWDBWZSJTN-UHFFFAOYSA-N 1 2 280.250 2.103 20 5 CEBDLO CC[N@@H+](CCC(F)(F)F)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602453096 347039698 /nfs/dbraw/zinc/03/96/98/347039698.db2.gz LWVPDWDBWZSJTN-UHFFFAOYSA-N 1 2 280.250 2.103 20 5 CEBDLO Cn1cc(C[N@H+]2CC=C(C(F)(F)F)CC2)c([N+](=O)[O-])n1 ZINC000602477776 347050695 /nfs/dbraw/zinc/05/06/95/347050695.db2.gz UEGDKAWCEYAUCY-UHFFFAOYSA-N 1 2 290.245 2.023 20 5 CEBDLO Cn1cc(C[N@@H+]2CC=C(C(F)(F)F)CC2)c([N+](=O)[O-])n1 ZINC000602477776 347050700 /nfs/dbraw/zinc/05/07/00/347050700.db2.gz UEGDKAWCEYAUCY-UHFFFAOYSA-N 1 2 290.245 2.023 20 5 CEBDLO CC[NH+]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000143067876 344404849 /nfs/dbraw/zinc/40/48/49/344404849.db2.gz KWTWIOVDOHESPC-UHFFFAOYSA-N 1 2 271.267 2.015 20 5 CEBDLO CCn1ccnc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000051923535 362450951 /nfs/dbraw/zinc/45/09/51/362450951.db2.gz VUSHTWHTNGZLEO-UHFFFAOYSA-N 1 2 260.297 2.101 20 5 CEBDLO C[NH2+]Cc1noc(C(C)(C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000414505497 530012001 /nfs/dbraw/zinc/01/20/01/530012001.db2.gz VBZYLEKJEZCQQY-UHFFFAOYSA-N 1 2 276.296 2.023 20 5 CEBDLO C[C@@H]1C[C@@H](O)CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000591165599 345227433 /nfs/dbraw/zinc/22/74/33/345227433.db2.gz LWXPMKXBBVGUAF-ZWNOBZJWSA-N 1 2 287.319 2.350 20 5 CEBDLO Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)n3ncnc32)cc1[N+](=O)[O-] ZINC000594957427 345716612 /nfs/dbraw/zinc/71/66/12/345716612.db2.gz OQBGRVIZFNJDJV-ZYHUDNBSSA-N 1 2 287.323 2.290 20 5 CEBDLO Cc1noc(C[N@H+]2CCS[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000595319860 345761459 /nfs/dbraw/zinc/76/14/59/345761459.db2.gz DMFPVPVHFFZHCI-DTWKUNHWSA-N 1 2 271.342 2.217 20 5 CEBDLO Cc1noc(C[N@@H+]2CCS[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000595319860 345761462 /nfs/dbraw/zinc/76/14/62/345761462.db2.gz DMFPVPVHFFZHCI-DTWKUNHWSA-N 1 2 271.342 2.217 20 5 CEBDLO Cc1noc(C[NH2+][C@@H](C)c2cncc(F)c2)c1[N+](=O)[O-] ZINC000595423598 345778356 /nfs/dbraw/zinc/77/83/56/345778356.db2.gz BPJLQDPPZJDNSA-ZETCQYMHSA-N 1 2 280.259 2.276 20 5 CEBDLO Cc1noc(C[NH2+][C@H](C)c2ccccn2)c1[N+](=O)[O-] ZINC000595426947 345779863 /nfs/dbraw/zinc/77/98/63/345779863.db2.gz UPFQAIMPHQLUIV-MRVPVSSYSA-N 1 2 262.269 2.137 20 5 CEBDLO COC(=O)[C@H]1C[C@@H]([N@H+](C)Cc2csc([N+](=O)[O-])c2)C1 ZINC000595847315 345897724 /nfs/dbraw/zinc/89/77/24/345897724.db2.gz DRFOKQYMCIMFKN-AOOOYVTPSA-N 1 2 284.337 2.040 20 5 CEBDLO COC(=O)[C@H]1C[C@@H]([N@@H+](C)Cc2csc([N+](=O)[O-])c2)C1 ZINC000595847315 345897728 /nfs/dbraw/zinc/89/77/28/345897728.db2.gz DRFOKQYMCIMFKN-AOOOYVTPSA-N 1 2 284.337 2.040 20 5 CEBDLO CN(CCCn1cc[nH+]c1)c1c(Cl)cncc1[N+](=O)[O-] ZINC000596166276 345957677 /nfs/dbraw/zinc/95/76/77/345957677.db2.gz RUBVHLUQQWBJOI-UHFFFAOYSA-N 1 2 295.730 2.366 20 5 CEBDLO C[C@@H]1C[C@H](Nc2c(Cl)cncc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000596256879 345982377 /nfs/dbraw/zinc/98/23/77/345982377.db2.gz HSQWOVFNHVTGRN-APPZFPTMSA-N 1 2 293.714 2.380 20 5 CEBDLO Cc1cc(N[C@@H](C)c2[nH+]ccn2C)ncc1[N+](=O)[O-] ZINC000596541286 346049907 /nfs/dbraw/zinc/04/99/07/346049907.db2.gz FDGUJMHXKPBKNI-VIFPVBQESA-N 1 2 261.285 2.205 20 5 CEBDLO C[C@@H](Nc1nc2sccn2c1[N+](=O)[O-])c1[nH+]ccn1C ZINC000596543913 346050914 /nfs/dbraw/zinc/05/09/14/346050914.db2.gz PRFYMKWDEGUCKH-SSDOTTSWSA-N 1 2 292.324 2.211 20 5 CEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC4(COC4)C3)c2c1 ZINC000596529710 346046509 /nfs/dbraw/zinc/04/65/09/346046509.db2.gz KVPBJUMHBDSCKA-UHFFFAOYSA-N 1 2 285.303 2.370 20 5 CEBDLO CCC[C@@]1(CO)CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339202175 215010874 /nfs/dbraw/zinc/01/08/74/215010874.db2.gz HOQHGWLIFDCASG-OAHLLOKOSA-N 1 2 294.351 2.285 20 5 CEBDLO CCC[C@@]1(CO)CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339202175 215010877 /nfs/dbraw/zinc/01/08/77/215010877.db2.gz HOQHGWLIFDCASG-OAHLLOKOSA-N 1 2 294.351 2.285 20 5 CEBDLO O=[N+]([O-])c1c(NCC(F)(F)CO)ccc2c[nH+]ccc21 ZINC000599068332 346455025 /nfs/dbraw/zinc/45/50/25/346455025.db2.gz NAIUSGLTFMHAIW-UHFFFAOYSA-N 1 2 283.234 2.183 20 5 CEBDLO CC1(C)CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@@H]1O ZINC000599079813 346456416 /nfs/dbraw/zinc/45/64/16/346456416.db2.gz PKODJBKCVIKJHI-ZDUSSCGKSA-N 1 2 287.319 2.350 20 5 CEBDLO O=[N+]([O-])c1ccc2oc(CN3CCc4[nH+]c[nH]c4C3)nc2c1 ZINC000599430145 346517785 /nfs/dbraw/zinc/51/77/85/346517785.db2.gz MPIPQINNWVNLTB-UHFFFAOYSA-N 1 2 299.290 2.017 20 5 CEBDLO CCOC[C@H]1C[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000599618835 346547047 /nfs/dbraw/zinc/54/70/47/346547047.db2.gz NPRRLASBRPOJNG-IUODEOHRSA-N 1 2 294.351 2.393 20 5 CEBDLO CCOC[C@H]1C[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000599618835 346547050 /nfs/dbraw/zinc/54/70/50/346547050.db2.gz NPRRLASBRPOJNG-IUODEOHRSA-N 1 2 294.351 2.393 20 5 CEBDLO CC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000611256702 347759407 /nfs/dbraw/zinc/75/94/07/347759407.db2.gz QJWQYMHIGIBDOG-LLVKDONJSA-N 1 2 280.324 2.159 20 5 CEBDLO CC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000611256702 347759412 /nfs/dbraw/zinc/75/94/12/347759412.db2.gz QJWQYMHIGIBDOG-LLVKDONJSA-N 1 2 280.324 2.159 20 5 CEBDLO Cc1cn2c([nH+]1)CN(c1nc(C)cc(C)c1[N+](=O)[O-])CC2 ZINC000611764175 347814837 /nfs/dbraw/zinc/81/48/37/347814837.db2.gz DOYSGXYXGQVALV-UHFFFAOYSA-N 1 2 287.323 2.132 20 5 CEBDLO Cc1cccc(NCC[N@H+]2CCOC[C@H]2C)c1[N+](=O)[O-] ZINC000614976863 348262370 /nfs/dbraw/zinc/26/23/70/348262370.db2.gz RAEXFJVXYVLUBF-GFCCVEGCSA-N 1 2 279.340 2.036 20 5 CEBDLO Cc1cccc(NCC[N@@H+]2CCOC[C@H]2C)c1[N+](=O)[O-] ZINC000614976863 348262372 /nfs/dbraw/zinc/26/23/72/348262372.db2.gz RAEXFJVXYVLUBF-GFCCVEGCSA-N 1 2 279.340 2.036 20 5 CEBDLO O=[N+]([O-])c1ncccc1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000618980264 349084183 /nfs/dbraw/zinc/08/41/83/349084183.db2.gz MQIDFYYYJOFWOB-GFCCVEGCSA-N 1 2 286.291 2.043 20 5 CEBDLO C[C@H]1COCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000091800926 180259502 /nfs/dbraw/zinc/25/95/02/180259502.db2.gz HMARWGRTUPIJJM-FUEXJSSKSA-N 1 2 262.309 2.329 20 5 CEBDLO C[C@H]1COCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000091800926 180259503 /nfs/dbraw/zinc/25/95/03/180259503.db2.gz HMARWGRTUPIJJM-FUEXJSSKSA-N 1 2 262.309 2.329 20 5 CEBDLO Cc1c[nH+]ccc1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000107293674 186166382 /nfs/dbraw/zinc/16/63/82/186166382.db2.gz ZHYBDICGCFEQRP-UHFFFAOYSA-N 1 2 286.291 2.349 20 5 CEBDLO Cc1ccc(C(=O)Nc2cc[nH+]cc2O)cc1[N+](=O)[O-] ZINC000109890112 186277830 /nfs/dbraw/zinc/27/78/30/186277830.db2.gz NSUPEYXZRHCNSH-UHFFFAOYSA-N 1 2 273.248 2.256 20 5 CEBDLO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1nccn1C ZINC000070445443 363082968 /nfs/dbraw/zinc/08/29/68/363082968.db2.gz TTZAZCQEJCQTCR-SNVBAGLBSA-N 1 2 260.297 2.179 20 5 CEBDLO CCc1nn(C)c(N[C@@H](C)c2[nH+]ccn2CC)c1[N+](=O)[O-] ZINC000450828350 282790165 /nfs/dbraw/zinc/79/01/65/282790165.db2.gz KCJNYEHKUYAGTI-VIFPVBQESA-N 1 2 292.343 2.280 20 5 CEBDLO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cn2)c2[nH+]ccn21 ZINC000450828824 282790532 /nfs/dbraw/zinc/79/05/32/282790532.db2.gz LEUXECGTQDTICU-SCZZXKLOSA-N 1 2 259.269 2.304 20 5 CEBDLO COc1ccc(C[N@@H+]2CCO[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000156156032 188245629 /nfs/dbraw/zinc/24/56/29/188245629.db2.gz YJOFBSVQPPSQIR-MNOVXSKESA-N 1 2 280.324 2.213 20 5 CEBDLO COc1ccc(C[N@H+]2CCO[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000156156032 188245630 /nfs/dbraw/zinc/24/56/30/188245630.db2.gz YJOFBSVQPPSQIR-MNOVXSKESA-N 1 2 280.324 2.213 20 5 CEBDLO C[C@@H]1OCC[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000156190244 188247931 /nfs/dbraw/zinc/24/79/31/188247931.db2.gz HSSVGCOQNMOCMH-QWRGUYRKSA-N 1 2 250.298 2.204 20 5 CEBDLO C[C@@H]1OCC[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000156190244 188247933 /nfs/dbraw/zinc/24/79/33/188247933.db2.gz HSSVGCOQNMOCMH-QWRGUYRKSA-N 1 2 250.298 2.204 20 5 CEBDLO CCC[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000132393269 366140353 /nfs/dbraw/zinc/14/03/53/366140353.db2.gz JXJGLXXTVFJFCY-ZDUSSCGKSA-N 1 2 294.351 2.475 20 5 CEBDLO CCC[C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000132393269 366140357 /nfs/dbraw/zinc/14/03/57/366140357.db2.gz JXJGLXXTVFJFCY-ZDUSSCGKSA-N 1 2 294.351 2.475 20 5 CEBDLO CC[C@@H]1C(=O)N(CC)CC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000495193258 291023010 /nfs/dbraw/zinc/02/30/10/291023010.db2.gz JLSQGJLPSMLTPL-CQSZACIVSA-N 1 2 291.351 2.038 20 5 CEBDLO CC[C@@H]1C(=O)N(CC)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000495193258 291023012 /nfs/dbraw/zinc/02/30/12/291023012.db2.gz JLSQGJLPSMLTPL-CQSZACIVSA-N 1 2 291.351 2.038 20 5 CEBDLO Cc1nn(C)c(NCCCc2[nH+]cccc2C)c1[N+](=O)[O-] ZINC000294944814 199263438 /nfs/dbraw/zinc/26/34/38/199263438.db2.gz IMZTVGYEONBMNS-UHFFFAOYSA-N 1 2 289.339 2.385 20 5 CEBDLO CN(Cc1ccc(N)[nH+]c1)c1ncc([N+](=O)[O-])cc1Cl ZINC000135983921 366487147 /nfs/dbraw/zinc/48/71/47/366487147.db2.gz JRUFKWYKBVIRLY-UHFFFAOYSA-N 1 2 293.714 2.257 20 5 CEBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CCC(O)CC1 ZINC000339114426 366657933 /nfs/dbraw/zinc/65/79/33/366657933.db2.gz XDBBPTOQNDQFTL-UHFFFAOYSA-N 1 2 280.324 2.036 20 5 CEBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CCC(O)CC1 ZINC000339114426 366657939 /nfs/dbraw/zinc/65/79/39/366657939.db2.gz XDBBPTOQNDQFTL-UHFFFAOYSA-N 1 2 280.324 2.036 20 5 CEBDLO O=[N+]([O-])c1ccc(NCc2cn3ccccc3[nH+]2)cn1 ZINC000339946502 366723989 /nfs/dbraw/zinc/72/39/89/366723989.db2.gz IYIDGKPBIVKHRU-UHFFFAOYSA-N 1 2 269.264 2.250 20 5 CEBDLO Cc1cc(NCCc2ccccc2[N+](=O)[O-])nc[nH+]1 ZINC000301449436 201013636 /nfs/dbraw/zinc/01/36/36/201013636.db2.gz KZFXLEREHHHIAH-UHFFFAOYSA-N 1 2 258.281 2.348 20 5 CEBDLO COc1ccc(CNc2nc(C)[nH+]cc2C)cc1[N+](=O)[O-] ZINC000580216425 366769505 /nfs/dbraw/zinc/76/95/05/366769505.db2.gz XVKQVSQUNAKNBH-UHFFFAOYSA-N 1 2 288.307 2.044 20 5 CEBDLO C[C@@H]1OCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000155972778 366825985 /nfs/dbraw/zinc/82/59/85/366825985.db2.gz WWXZFQDDFKHDRT-QWRGUYRKSA-N 1 2 250.298 2.204 20 5 CEBDLO C[C@@H]1OCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000155972778 366825992 /nfs/dbraw/zinc/82/59/92/366825992.db2.gz WWXZFQDDFKHDRT-QWRGUYRKSA-N 1 2 250.298 2.204 20 5 CEBDLO C[C@H]([C@H](C)Nc1sccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000301974801 201283664 /nfs/dbraw/zinc/28/36/64/201283664.db2.gz BCSLBTKNPFMWLU-VHSXEESVSA-N 1 2 285.369 2.177 20 5 CEBDLO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ncn(C)n1 ZINC000275510348 193062453 /nfs/dbraw/zinc/06/24/53/193062453.db2.gz HTSIIABVEYILJJ-NXEZZACHSA-N 1 2 275.312 2.135 20 5 CEBDLO C[C@H]1COCCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000586767974 367187750 /nfs/dbraw/zinc/18/77/50/367187750.db2.gz OMYDJZMCZKOMPO-VIFPVBQESA-N 1 2 286.278 2.484 20 5 CEBDLO C[C@H]1COCCC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000586767974 367187754 /nfs/dbraw/zinc/18/77/54/367187754.db2.gz OMYDJZMCZKOMPO-VIFPVBQESA-N 1 2 286.278 2.484 20 5 CEBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@](O)(C(F)(F)F)C2)cs1 ZINC000174749822 368063337 /nfs/dbraw/zinc/06/33/37/368063337.db2.gz ZRAQOGZXUWSMAK-SECBINFHSA-N 1 2 296.270 2.155 20 5 CEBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)cs1 ZINC000174749822 368063343 /nfs/dbraw/zinc/06/33/43/368063343.db2.gz ZRAQOGZXUWSMAK-SECBINFHSA-N 1 2 296.270 2.155 20 5 CEBDLO C[C@H]1CCN(c2ccc([N+](=O)[O-])nc2)C[C@H]1n1cc[nH+]c1 ZINC000345312958 368231591 /nfs/dbraw/zinc/23/15/91/368231591.db2.gz STCNULHYXWGTRZ-WCQYABFASA-N 1 2 287.323 2.274 20 5 CEBDLO CCc1nc([C@@H](C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)cs1 ZINC000348323713 369003391 /nfs/dbraw/zinc/00/33/91/369003391.db2.gz YEBCPTMTIVOFJX-MRVPVSSYSA-N 1 2 295.368 2.198 20 5 CEBDLO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000187824651 369231380 /nfs/dbraw/zinc/23/13/80/369231380.db2.gz KGPLGIXYBLPDHR-JTQLQIEISA-N 1 2 268.288 2.345 20 5 CEBDLO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000187824651 369231385 /nfs/dbraw/zinc/23/13/85/369231385.db2.gz KGPLGIXYBLPDHR-JTQLQIEISA-N 1 2 268.288 2.345 20 5 CEBDLO C[C@H]([NH2+]Cc1ccn(C)n1)c1ccccc1[N+](=O)[O-] ZINC000213150399 370168237 /nfs/dbraw/zinc/16/82/37/370168237.db2.gz OSHKQCAVUVAVJZ-JTQLQIEISA-N 1 2 260.297 2.179 20 5 CEBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000277581109 374570072 /nfs/dbraw/zinc/57/00/72/374570072.db2.gz VUCHFKBZRQHFRQ-HTGLOVNISA-N 1 2 296.392 2.356 20 5 CEBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000277581109 374570076 /nfs/dbraw/zinc/57/00/76/374570076.db2.gz VUCHFKBZRQHFRQ-HTGLOVNISA-N 1 2 296.392 2.356 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCOCC2(CCC2)C1 ZINC000407993830 375392522 /nfs/dbraw/zinc/39/25/22/375392522.db2.gz UXCNBHVSXMVJTL-UHFFFAOYSA-N 1 2 292.335 2.303 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCOCC2(CCC2)C1 ZINC000407993830 375392528 /nfs/dbraw/zinc/39/25/28/375392528.db2.gz UXCNBHVSXMVJTL-UHFFFAOYSA-N 1 2 292.335 2.303 20 5 CEBDLO Cc1c([N+](=O)[O-])ccc(F)c1NCc1c[nH+]cn1C ZINC000283368363 375697697 /nfs/dbraw/zinc/69/76/97/375697697.db2.gz CJHLOACQJVYHRD-UHFFFAOYSA-N 1 2 264.260 2.388 20 5 CEBDLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000330365670 377099975 /nfs/dbraw/zinc/09/99/75/377099975.db2.gz PDTDVSCXXVCDKE-NSHDSACASA-N 1 2 267.260 2.234 20 5 CEBDLO NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000330365670 377099982 /nfs/dbraw/zinc/09/99/82/377099982.db2.gz PDTDVSCXXVCDKE-NSHDSACASA-N 1 2 267.260 2.234 20 5 CEBDLO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330444421 377135033 /nfs/dbraw/zinc/13/50/33/377135033.db2.gz CFWASKKAZJSOFM-HFAKWTLXSA-N 1 2 294.351 2.282 20 5 CEBDLO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330444421 377135037 /nfs/dbraw/zinc/13/50/37/377135037.db2.gz CFWASKKAZJSOFM-HFAKWTLXSA-N 1 2 294.351 2.282 20 5 CEBDLO CC[C@]1(C)C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000330463428 377147308 /nfs/dbraw/zinc/14/73/08/377147308.db2.gz ZLBIBJSYJUEKOF-CQSZACIVSA-N 1 2 280.324 2.301 20 5 CEBDLO CC[C@]1(C)C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000330463428 377147312 /nfs/dbraw/zinc/14/73/12/377147312.db2.gz ZLBIBJSYJUEKOF-CQSZACIVSA-N 1 2 280.324 2.301 20 5 CEBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000565144081 377570654 /nfs/dbraw/zinc/57/06/54/377570654.db2.gz XDBBPTOQNDQFTL-HAQNSBGRSA-N 1 2 280.324 2.036 20 5 CEBDLO CC(C)CC[C@H](O)C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332726950 377684537 /nfs/dbraw/zinc/68/45/37/377684537.db2.gz UJNVPZUTJHHLJE-AWEZNQCLSA-N 1 2 293.367 2.145 20 5 CEBDLO CC(C)CC[C@H](O)C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332726950 377684548 /nfs/dbraw/zinc/68/45/48/377684548.db2.gz UJNVPZUTJHHLJE-AWEZNQCLSA-N 1 2 293.367 2.145 20 5 CEBDLO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCn3ccnc32)cc1 ZINC000293838086 377783336 /nfs/dbraw/zinc/78/33/36/377783336.db2.gz BTMHKFZTIAUJTB-LBPRGKRZSA-N 1 2 258.281 2.026 20 5 CEBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CC2(C1)CCOC2 ZINC000294135572 377915542 /nfs/dbraw/zinc/91/55/42/377915542.db2.gz URKODLWAFYMRDF-UHFFFAOYSA-N 1 2 292.335 2.216 20 5 CEBDLO CCn1c(C)nc([N+](=O)[O-])c1NCCc1[nH+]cccc1C ZINC000295749762 378288587 /nfs/dbraw/zinc/28/85/87/378288587.db2.gz NQJIQJFTGDUKGA-UHFFFAOYSA-N 1 2 289.339 2.478 20 5 CEBDLO CCN(CC)c1ccc(Nc2c([N+](=O)[O-])ncn2C)c[nH+]1 ZINC000298739800 378818650 /nfs/dbraw/zinc/81/86/50/378818650.db2.gz WPFFFFDFZXOSCL-UHFFFAOYSA-N 1 2 290.327 2.313 20 5 CEBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CCn1cc[nH+]c1 ZINC000299613029 379070038 /nfs/dbraw/zinc/07/00/38/379070038.db2.gz OTXVMLOEFRJCJN-UHFFFAOYSA-N 1 2 288.307 2.437 20 5 CEBDLO CO[C@H]1C[C@@H]([N@H+](C)Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000510161018 379114595 /nfs/dbraw/zinc/11/45/95/379114595.db2.gz SVNAJGBOXRXWFC-AOOOYVTPSA-N 1 2 268.288 2.343 20 5 CEBDLO CO[C@H]1C[C@@H]([N@@H+](C)Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000510161018 379114603 /nfs/dbraw/zinc/11/46/03/379114603.db2.gz SVNAJGBOXRXWFC-AOOOYVTPSA-N 1 2 268.288 2.343 20 5 CEBDLO CCCCOCC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347791204 218357084 /nfs/dbraw/zinc/35/70/84/218357084.db2.gz UWVFWTPVSCSELY-UHFFFAOYSA-N 1 2 279.340 2.165 20 5 CEBDLO CCCCOCC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347791204 218357085 /nfs/dbraw/zinc/35/70/85/218357085.db2.gz UWVFWTPVSCSELY-UHFFFAOYSA-N 1 2 279.340 2.165 20 5 CEBDLO C[N@H+](Cc1ccccn1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000350447911 219022326 /nfs/dbraw/zinc/02/23/26/219022326.db2.gz CCCONFJFRJJVAP-UHFFFAOYSA-N 1 2 273.292 2.327 20 5 CEBDLO C[N@@H+](Cc1ccccn1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000350447911 219022328 /nfs/dbraw/zinc/02/23/28/219022328.db2.gz CCCONFJFRJJVAP-UHFFFAOYSA-N 1 2 273.292 2.327 20 5 CEBDLO O=[N+]([O-])c1cccc(Cl)c1C[NH+]1CCC(O)CC1 ZINC000104306076 285153416 /nfs/dbraw/zinc/15/34/16/285153416.db2.gz CLQOFSOPSSOVBX-UHFFFAOYSA-N 1 2 270.716 2.205 20 5 CEBDLO C[C@@H](O)[C@@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413226156 394508203 /nfs/dbraw/zinc/50/82/03/394508203.db2.gz DIMGJQUVMFMITA-ZYHUDNBSSA-N 1 2 287.319 2.350 20 5 CEBDLO Cn1cc[nH+]c1[C@H](Nc1ncc([N+](=O)[O-])cc1F)C1CC1 ZINC000413282728 394518671 /nfs/dbraw/zinc/51/86/71/394518671.db2.gz QIWYDJNFQZEFAX-LLVKDONJSA-N 1 2 291.286 2.426 20 5 CEBDLO Cc1sc(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000356839132 394628051 /nfs/dbraw/zinc/62/80/51/394628051.db2.gz CWHVAMYEZRQFCQ-IUCAKERBSA-N 1 2 297.380 2.129 20 5 CEBDLO Cc1sc(C(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000356839132 394628053 /nfs/dbraw/zinc/62/80/53/394628053.db2.gz CWHVAMYEZRQFCQ-IUCAKERBSA-N 1 2 297.380 2.129 20 5 CEBDLO COC[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000275874016 394809789 /nfs/dbraw/zinc/80/97/89/394809789.db2.gz PAHUIBIWRVBMND-AGIUHOORSA-N 1 2 294.351 2.392 20 5 CEBDLO COC[C@@H]1C[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000275874016 394809792 /nfs/dbraw/zinc/80/97/92/394809792.db2.gz PAHUIBIWRVBMND-AGIUHOORSA-N 1 2 294.351 2.392 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](C)N(C)C[C@H]1C ZINC000361163638 394818051 /nfs/dbraw/zinc/81/80/51/394818051.db2.gz BMGVPXNSLYUTJE-CHWSQXEVSA-N 1 2 277.368 2.428 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C)N(C)C[C@H]1C ZINC000361163638 394818055 /nfs/dbraw/zinc/81/80/55/394818055.db2.gz BMGVPXNSLYUTJE-CHWSQXEVSA-N 1 2 277.368 2.428 20 5 CEBDLO CC[N@H+](CCOC)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000286146805 395015476 /nfs/dbraw/zinc/01/54/76/395015476.db2.gz XGNLMQMZWGFCFS-UHFFFAOYSA-N 1 2 274.267 2.341 20 5 CEBDLO CC[N@@H+](CCOC)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000286146805 395015478 /nfs/dbraw/zinc/01/54/78/395015478.db2.gz XGNLMQMZWGFCFS-UHFFFAOYSA-N 1 2 274.267 2.341 20 5 CEBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000494683146 395134806 /nfs/dbraw/zinc/13/48/06/395134806.db2.gz USBKSVJRMIMRFA-LBPRGKRZSA-N 1 2 282.727 2.205 20 5 CEBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000494683146 395134810 /nfs/dbraw/zinc/13/48/10/395134810.db2.gz USBKSVJRMIMRFA-LBPRGKRZSA-N 1 2 282.727 2.205 20 5 CEBDLO CN(C)c1[nH+]cccc1CNc1ccc([N+](=O)[O-])cn1 ZINC000048976601 162290293 /nfs/dbraw/zinc/29/02/93/162290293.db2.gz YKCCYXFQPOTLKY-UHFFFAOYSA-N 1 2 273.296 2.063 20 5 CEBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@@H](C)C1 ZINC000054172386 287144764 /nfs/dbraw/zinc/14/47/64/287144764.db2.gz DYZGMRZZVKPJMF-QWRGUYRKSA-N 1 2 250.298 2.377 20 5 CEBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@@H](C)C1 ZINC000054172386 287144766 /nfs/dbraw/zinc/14/47/66/287144766.db2.gz DYZGMRZZVKPJMF-QWRGUYRKSA-N 1 2 250.298 2.377 20 5 CEBDLO Cc1cc(Cn2cc([N+](=O)[O-])c(C3CC3)n2)cc[nH+]1 ZINC000598708448 419421240 /nfs/dbraw/zinc/42/12/40/419421240.db2.gz GRXXIINNGSCMIT-UHFFFAOYSA-N 1 2 258.281 2.420 20 5 CEBDLO C[C@@H]1COC[C@@H](C)[NH+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000077367185 288375365 /nfs/dbraw/zinc/37/53/65/288375365.db2.gz BKALZQXHWPAEGR-GHMZBOCLSA-N 1 2 250.298 2.204 20 5 CEBDLO C[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H](C)[C@H](C)O1 ZINC000339112774 297030047 /nfs/dbraw/zinc/03/00/47/297030047.db2.gz TVDRYMZGWOLAQF-VWYCJHECSA-N 1 2 280.324 2.298 20 5 CEBDLO C[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H](C)[C@H](C)O1 ZINC000339112774 297030050 /nfs/dbraw/zinc/03/00/50/297030050.db2.gz TVDRYMZGWOLAQF-VWYCJHECSA-N 1 2 280.324 2.298 20 5 CEBDLO C[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H](C)[C@@H](C)O1 ZINC000339112773 297030268 /nfs/dbraw/zinc/03/02/68/297030268.db2.gz TVDRYMZGWOLAQF-OUAUKWLOSA-N 1 2 280.324 2.298 20 5 CEBDLO C[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H](C)[C@@H](C)O1 ZINC000339112773 297030269 /nfs/dbraw/zinc/03/02/69/297030269.db2.gz TVDRYMZGWOLAQF-OUAUKWLOSA-N 1 2 280.324 2.298 20 5 CEBDLO Cc1cc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)cc([N+](=O)[O-])c1 ZINC000565108298 298878967 /nfs/dbraw/zinc/87/89/67/298878967.db2.gz WFOZSIUAYOJCDX-UHFFFAOYSA-N 1 2 288.307 2.291 20 5 CEBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000579130580 314554207 /nfs/dbraw/zinc/55/42/07/314554207.db2.gz UIJXLKQJYCHUTE-SNVBAGLBSA-N 1 2 288.307 2.426 20 5 CEBDLO O=C(CCc1c[nH+]c[nH]1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000357167840 526635290 /nfs/dbraw/zinc/63/52/90/526635290.db2.gz MDZPYXUAWLSVJB-UHFFFAOYSA-N 1 2 278.243 2.028 20 5 CEBDLO O=C(CCc1c[nH]c[nH+]1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000357167840 526635298 /nfs/dbraw/zinc/63/52/98/526635298.db2.gz MDZPYXUAWLSVJB-UHFFFAOYSA-N 1 2 278.243 2.028 20 5 CEBDLO Cc1nn(C[NH+]2CCC(OC(C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000730564840 574522102 /nfs/dbraw/zinc/52/21/02/574522102.db2.gz XGGWVWFGICTRSK-UHFFFAOYSA-N 1 2 296.371 2.255 20 5 CEBDLO O=C(OCCCF)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000741448850 574987222 /nfs/dbraw/zinc/98/72/22/574987222.db2.gz OEBNXJKOXOEAJT-UHFFFAOYSA-N 1 2 293.254 2.297 20 5 CEBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC2(C1)OCCO2 ZINC000744398677 575120551 /nfs/dbraw/zinc/12/05/51/575120551.db2.gz NIXZAOMCHLMRCI-LLVKDONJSA-N 1 2 278.308 2.105 20 5 CEBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC2(C1)OCCO2 ZINC000744398677 575120552 /nfs/dbraw/zinc/12/05/52/575120552.db2.gz NIXZAOMCHLMRCI-LLVKDONJSA-N 1 2 278.308 2.105 20 5 CEBDLO COc1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)o1 ZINC000892939548 627866742 /nfs/dbraw/zinc/86/67/42/627866742.db2.gz RTEAGJMYXSEYCX-UHFFFAOYSA-N 1 2 292.291 2.495 20 5 CEBDLO CC(C)(O)C1C[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000894831221 629670761 /nfs/dbraw/zinc/67/07/61/629670761.db2.gz UNRQBZRXEITVME-UHFFFAOYSA-N 1 2 284.743 2.451 20 5 CEBDLO C[C@H]1COCC[N@@H+]1CCNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000804431706 631681133 /nfs/dbraw/zinc/68/11/33/631681133.db2.gz WAERRWGTAFYTDF-JTQLQIEISA-N 1 2 299.758 2.381 20 5 CEBDLO C[C@H]1COCC[N@H+]1CCNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000804431706 631681135 /nfs/dbraw/zinc/68/11/35/631681135.db2.gz WAERRWGTAFYTDF-JTQLQIEISA-N 1 2 299.758 2.381 20 5 CEBDLO Nc1ccc(NCc2ccn3cc[nH+]c3c2)c([N+](=O)[O-])c1 ZINC000811817020 632450198 /nfs/dbraw/zinc/45/01/98/632450198.db2.gz LWVSUSRQUITMSX-UHFFFAOYSA-N 1 2 283.291 2.437 20 5 CEBDLO O=[N+]([O-])CC[NH2+]Cc1nc(-c2ccccc2F)cs1 ZINC000905238577 636190225 /nfs/dbraw/zinc/19/02/25/636190225.db2.gz RXROILHWDAIYNH-UHFFFAOYSA-N 1 2 281.312 2.316 20 5 CEBDLO O=C(Nc1ccon1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000179519417 641358481 /nfs/dbraw/zinc/35/84/81/641358481.db2.gz BEHMCKHSAZFAKO-UHFFFAOYSA-N 1 2 299.246 2.021 20 5 CEBDLO C[N@@H+]1CCCC[C@@H]1C(=O)OCc1ccc(F)cc1[N+](=O)[O-] ZINC000849732520 642426701 /nfs/dbraw/zinc/42/67/01/642426701.db2.gz JQSCFLZOBOLRDD-GFCCVEGCSA-N 1 2 296.298 2.261 20 5 CEBDLO C[N@H+]1CCCC[C@@H]1C(=O)OCc1ccc(F)cc1[N+](=O)[O-] ZINC000849732520 642426705 /nfs/dbraw/zinc/42/67/05/642426705.db2.gz JQSCFLZOBOLRDD-GFCCVEGCSA-N 1 2 296.298 2.261 20 5 CEBDLO C[C@H]1CCOCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000851905350 643218195 /nfs/dbraw/zinc/21/81/95/643218195.db2.gz BXILQYHCSNPJQI-JTQLQIEISA-N 1 2 268.288 2.345 20 5 CEBDLO C[C@H]1CCOCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000851905350 643218199 /nfs/dbraw/zinc/21/81/99/643218199.db2.gz BXILQYHCSNPJQI-JTQLQIEISA-N 1 2 268.288 2.345 20 5 CEBDLO O=C(OCCn1cc[nH+]c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000763113629 645506645 /nfs/dbraw/zinc/50/66/45/645506645.db2.gz DJQGIPSJRYQJLL-UHFFFAOYSA-N 1 2 295.682 2.302 20 5 CEBDLO CCC(F)(F)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000863577590 646761614 /nfs/dbraw/zinc/76/16/14/646761614.db2.gz DAZIXNOZGPWZHH-LLVKDONJSA-N 1 2 274.267 2.263 20 5 CEBDLO O=C(OCCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1F ZINC000783091750 647676585 /nfs/dbraw/zinc/67/65/85/647676585.db2.gz BOJXFCOQMVSOEF-UHFFFAOYSA-N 1 2 293.254 2.178 20 5 CEBDLO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1ccn[nH]1 ZINC000866264331 647704143 /nfs/dbraw/zinc/70/41/43/647704143.db2.gz YHPKLQJWZSKUHQ-VIFPVBQESA-N 1 2 278.287 2.178 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)OCc1cc[nH+]c(N)c1 ZINC000791793011 648567683 /nfs/dbraw/zinc/56/76/83/648567683.db2.gz HXYIKAJQPCORPP-UHFFFAOYSA-N 1 2 287.275 2.237 20 5 CEBDLO Cc1ccc(O[C@@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC001226950980 805805176 /nfs/dbraw/zinc/80/51/76/805805176.db2.gz RGXMICDGUVNVHP-LBPRGKRZSA-N 1 2 280.324 2.003 20 5 CEBDLO Nc1cc(CNc2cnc(Cl)cc2[N+](=O)[O-])cc[nH+]1 ZINC001167616856 803204483 /nfs/dbraw/zinc/20/44/83/803204483.db2.gz GWUKDOXYWNWYMD-UHFFFAOYSA-N 1 2 279.687 2.233 20 5 CEBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCC1OCCCO1)C2 ZINC001116235643 814841377 /nfs/dbraw/zinc/84/13/77/814841377.db2.gz DJIUDVRMNPDINS-UHFFFAOYSA-N 1 2 278.308 2.064 20 5 CEBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCC1OCCCO1)C2 ZINC001116235643 814841378 /nfs/dbraw/zinc/84/13/78/814841378.db2.gz DJIUDVRMNPDINS-UHFFFAOYSA-N 1 2 278.308 2.064 20 5 CEBDLO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](CF)C(F)(F)C2)C1 ZINC001169010962 811334710 /nfs/dbraw/zinc/33/47/10/811334710.db2.gz GRCIHNUUNVHWQO-VWYCJHECSA-N 1 2 280.290 2.359 20 5 CEBDLO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@@H](CF)C(F)(F)C2)C1 ZINC001169010962 811334724 /nfs/dbraw/zinc/33/47/24/811334724.db2.gz GRCIHNUUNVHWQO-VWYCJHECSA-N 1 2 280.290 2.359 20 5 CEBDLO CCn1cc(CC[N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC001117100487 814900575 /nfs/dbraw/zinc/90/05/75/814900575.db2.gz IFMGYZPUQLJEON-UHFFFAOYSA-N 1 2 286.335 2.370 20 5 CEBDLO CCn1cc(CC[N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC001117100487 814900578 /nfs/dbraw/zinc/90/05/78/814900578.db2.gz IFMGYZPUQLJEON-UHFFFAOYSA-N 1 2 286.335 2.370 20 5 CEBDLO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)n1cc[nH+]c1 ZINC001124340534 815609995 /nfs/dbraw/zinc/60/99/95/815609995.db2.gz FEJLBJQRDVAPTR-SNVBAGLBSA-N 1 2 274.280 2.381 20 5 CEBDLO CCC[C@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000449255706 282160013 /nfs/dbraw/zinc/16/00/13/282160013.db2.gz GGFMXUHYLFBBSU-YPMHNXCESA-N 1 2 294.351 2.457 20 5 CEBDLO CCNC(=O)C[N@H+](CC)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000042369007 362088997 /nfs/dbraw/zinc/08/89/97/362088997.db2.gz XIPVAOAZYIWKAN-UHFFFAOYSA-N 1 2 299.758 2.206 20 5 CEBDLO CCNC(=O)C[N@@H+](CC)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000042369007 362088999 /nfs/dbraw/zinc/08/89/99/362088999.db2.gz XIPVAOAZYIWKAN-UHFFFAOYSA-N 1 2 299.758 2.206 20 5 CEBDLO CCC[N@H+](CC(=O)NC)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000042404752 362091114 /nfs/dbraw/zinc/09/11/14/362091114.db2.gz QEDGUYFVBBFWIM-UHFFFAOYSA-N 1 2 299.758 2.206 20 5 CEBDLO CCC[N@@H+](CC(=O)NC)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000042404752 362091120 /nfs/dbraw/zinc/09/11/20/362091120.db2.gz QEDGUYFVBBFWIM-UHFFFAOYSA-N 1 2 299.758 2.206 20 5 CEBDLO CCOC(=O)[C@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000047264393 362202853 /nfs/dbraw/zinc/20/28/53/362202853.db2.gz WWUGIFRUYPPTHH-NSHDSACASA-N 1 2 298.364 2.431 20 5 CEBDLO CCOC(=O)[C@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000047264393 362202864 /nfs/dbraw/zinc/20/28/64/362202864.db2.gz WWUGIFRUYPPTHH-NSHDSACASA-N 1 2 298.364 2.431 20 5 CEBDLO O=[N+]([O-])c1ccc(OCCNc2cccc[nH+]2)cc1 ZINC000068767221 343772598 /nfs/dbraw/zinc/77/25/98/343772598.db2.gz ABWRXYZUYBBJGB-UHFFFAOYSA-N 1 2 259.265 2.481 20 5 CEBDLO Cc1cnc(NCc2cn3c([nH+]2)CCCC3)c([N+](=O)[O-])c1 ZINC000078658215 343960374 /nfs/dbraw/zinc/96/03/74/343960374.db2.gz NDEBKQJDQQQFPU-UHFFFAOYSA-N 1 2 287.323 2.443 20 5 CEBDLO Cc1c[nH+]c(CCNc2ccc([N+](=O)[O-])c(C)n2)c(C)c1 ZINC000594594908 345655093 /nfs/dbraw/zinc/65/50/93/345655093.db2.gz AQEWXYCHNBVUPM-UHFFFAOYSA-N 1 2 286.335 2.387 20 5 CEBDLO Cc1[nH]c(CNCc2ccccc2[N+](=O)[O-])[nH+]c1C ZINC000594923189 345703482 /nfs/dbraw/zinc/70/34/82/345703482.db2.gz DSUJFOSRSYRPMU-UHFFFAOYSA-N 1 2 260.297 2.225 20 5 CEBDLO Cc1nc(C[NH2+]Cc2ccccc2[N+](=O)[O-])[nH]c1C ZINC000594923189 345703483 /nfs/dbraw/zinc/70/34/83/345703483.db2.gz DSUJFOSRSYRPMU-UHFFFAOYSA-N 1 2 260.297 2.225 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1C[C@H](C)n2ncnc21 ZINC000594957489 345716679 /nfs/dbraw/zinc/71/66/79/345716679.db2.gz PZNFTQMTPONNAP-GWCFXTLKSA-N 1 2 287.323 2.290 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1nccn1C ZINC000595012840 345726640 /nfs/dbraw/zinc/72/66/40/345726640.db2.gz PEJOULPDGRWDGH-SNVBAGLBSA-N 1 2 290.323 2.188 20 5 CEBDLO Cc1noc(C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595327356 345761952 /nfs/dbraw/zinc/76/19/52/345761952.db2.gz QOGPPTMXLVYNCE-OCAPTIKFSA-N 1 2 271.342 2.217 20 5 CEBDLO Cc1noc(C[N@H+]2C[C@@H](C)S[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595327356 345761954 /nfs/dbraw/zinc/76/19/54/345761954.db2.gz QOGPPTMXLVYNCE-OCAPTIKFSA-N 1 2 271.342 2.217 20 5 CEBDLO COc1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)on1 ZINC000595414200 345776689 /nfs/dbraw/zinc/77/66/89/345776689.db2.gz JCILWJKASAHGOM-SECBINFHSA-N 1 2 277.280 2.442 20 5 CEBDLO C[C@@H]1C[N@H+](CCNc2ccsc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000596428086 346020880 /nfs/dbraw/zinc/02/08/80/346020880.db2.gz GYGVUNMIHXGORC-VHSXEESVSA-N 1 2 285.369 2.177 20 5 CEBDLO C[C@@H]1C[N@@H+](CCNc2ccsc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000596428086 346020881 /nfs/dbraw/zinc/02/08/81/346020881.db2.gz GYGVUNMIHXGORC-VHSXEESVSA-N 1 2 285.369 2.177 20 5 CEBDLO C[C@H]1C[N@H+](CCNc2ccc([N+](=O)[O-])s2)[C@@H](C)CO1 ZINC000596434926 346023311 /nfs/dbraw/zinc/02/33/11/346023311.db2.gz ZDVKZXGDKHILGB-UWVGGRQHSA-N 1 2 285.369 2.177 20 5 CEBDLO C[C@H]1C[N@@H+](CCNc2ccc([N+](=O)[O-])s2)[C@@H](C)CO1 ZINC000596434926 346023313 /nfs/dbraw/zinc/02/33/13/346023313.db2.gz ZDVKZXGDKHILGB-UWVGGRQHSA-N 1 2 285.369 2.177 20 5 CEBDLO C[C@@H]1C[N@H+](CCNc2ccc([N+](=O)[O-])s2)[C@@H](C)CO1 ZINC000596434927 346023460 /nfs/dbraw/zinc/02/34/60/346023460.db2.gz ZDVKZXGDKHILGB-VHSXEESVSA-N 1 2 285.369 2.177 20 5 CEBDLO C[C@@H]1C[N@@H+](CCNc2ccc([N+](=O)[O-])s2)[C@@H](C)CO1 ZINC000596434927 346023461 /nfs/dbraw/zinc/02/34/61/346023461.db2.gz ZDVKZXGDKHILGB-VHSXEESVSA-N 1 2 285.369 2.177 20 5 CEBDLO C[C@@H]1C[N@H+](CCNc2ccc([N+](=O)[O-])s2)[C@H](C)CO1 ZINC000596434925 346023479 /nfs/dbraw/zinc/02/34/79/346023479.db2.gz ZDVKZXGDKHILGB-NXEZZACHSA-N 1 2 285.369 2.177 20 5 CEBDLO C[C@@H]1C[N@@H+](CCNc2ccc([N+](=O)[O-])s2)[C@H](C)CO1 ZINC000596434925 346023482 /nfs/dbraw/zinc/02/34/82/346023482.db2.gz ZDVKZXGDKHILGB-NXEZZACHSA-N 1 2 285.369 2.177 20 5 CEBDLO Cc1ccnc(N[C@@H](C)c2[nH+]ccn2C)c1[N+](=O)[O-] ZINC000596541797 346050320 /nfs/dbraw/zinc/05/03/20/346050320.db2.gz GAGYVCRQQHRBPL-VIFPVBQESA-N 1 2 261.285 2.205 20 5 CEBDLO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H](C)c1[nH+]ccn1C ZINC000596539713 346049502 /nfs/dbraw/zinc/04/95/02/346049502.db2.gz BJASISSDFJCICJ-VIFPVBQESA-N 1 2 278.316 2.026 20 5 CEBDLO CN(CC1(CO)CC1)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599072960 346455595 /nfs/dbraw/zinc/45/55/95/346455595.db2.gz MLADMAVBSJNAAD-UHFFFAOYSA-N 1 2 287.319 2.352 20 5 CEBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCO[C@@H](CCF)C1 ZINC000599642723 346552602 /nfs/dbraw/zinc/55/26/02/346552602.db2.gz KYQBVWBNXHBHLX-LBPRGKRZSA-N 1 2 268.288 2.155 20 5 CEBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCO[C@@H](CCF)C1 ZINC000599642723 346552603 /nfs/dbraw/zinc/55/26/03/346552603.db2.gz KYQBVWBNXHBHLX-LBPRGKRZSA-N 1 2 268.288 2.155 20 5 CEBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCO[C@@H](CCF)C1 ZINC000599643335 346552609 /nfs/dbraw/zinc/55/26/09/346552609.db2.gz SGHGJIJJYKMTBJ-LBPRGKRZSA-N 1 2 298.314 2.034 20 5 CEBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCO[C@@H](CCF)C1 ZINC000599643335 346552610 /nfs/dbraw/zinc/55/26/10/346552610.db2.gz SGHGJIJJYKMTBJ-LBPRGKRZSA-N 1 2 298.314 2.034 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@H](O)C12CCCC2 ZINC000339245163 215038989 /nfs/dbraw/zinc/03/89/89/215038989.db2.gz FZWIDJNDCMWCQW-CQSZACIVSA-N 1 2 292.335 2.180 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@H](O)C12CCCC2 ZINC000339245163 215038991 /nfs/dbraw/zinc/03/89/91/215038991.db2.gz FZWIDJNDCMWCQW-CQSZACIVSA-N 1 2 292.335 2.180 20 5 CEBDLO Cc1cn2cc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)ccc2[nH+]1 ZINC000339268686 215053440 /nfs/dbraw/zinc/05/34/40/215053440.db2.gz BTSQXMIVORDXMV-UHFFFAOYSA-N 1 2 285.263 2.131 20 5 CEBDLO CO[C@@H]1C[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000602896403 347240757 /nfs/dbraw/zinc/24/07/57/347240757.db2.gz GPWJEHYXWXQVKZ-RISCZKNCSA-N 1 2 280.324 2.269 20 5 CEBDLO CO[C@@H]1C[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000602896403 347240760 /nfs/dbraw/zinc/24/07/60/347240760.db2.gz GPWJEHYXWXQVKZ-RISCZKNCSA-N 1 2 280.324 2.269 20 5 CEBDLO O=[N+]([O-])c1ncccc1N1CCC(n2cc[nH+]c2)CC1 ZINC000604527591 347420167 /nfs/dbraw/zinc/42/01/67/347420167.db2.gz DUQAEJMCCDSIFE-UHFFFAOYSA-N 1 2 273.296 2.028 20 5 CEBDLO Cc1ccc(CCNc2cccnc2[N+](=O)[O-])c[nH+]1 ZINC000609517212 347641480 /nfs/dbraw/zinc/64/14/80/347641480.db2.gz ZNFVGBIDTNSYLS-UHFFFAOYSA-N 1 2 258.281 2.348 20 5 CEBDLO O=[N+]([O-])c1ncccc1NCc1ccn2cc[nH+]c2c1 ZINC000610770995 347713499 /nfs/dbraw/zinc/71/34/99/347713499.db2.gz KGRXDNKUBQDWKO-UHFFFAOYSA-N 1 2 269.264 2.250 20 5 CEBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC(=O)N1CCCC1 ZINC000611202932 347750942 /nfs/dbraw/zinc/75/09/42/347750942.db2.gz KKZZHQLIMGUORP-LBPRGKRZSA-N 1 2 291.351 2.210 20 5 CEBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CC(=O)N1CCCC1 ZINC000611202932 347750946 /nfs/dbraw/zinc/75/09/46/347750946.db2.gz KKZZHQLIMGUORP-LBPRGKRZSA-N 1 2 291.351 2.210 20 5 CEBDLO Cc1cn2c([nH+]1)CN(Cc1ccc([N+](=O)[O-])cc1F)CC2 ZINC000611801863 347818205 /nfs/dbraw/zinc/81/82/05/347818205.db2.gz DVWGBEZBAAWMJQ-UHFFFAOYSA-N 1 2 290.298 2.255 20 5 CEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC=CCC1 ZINC000611517144 347789380 /nfs/dbraw/zinc/78/93/80/347789380.db2.gz BSAPSYQNHKJIHX-LLVKDONJSA-N 1 2 275.308 2.184 20 5 CEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC=CCC1 ZINC000611517144 347789384 /nfs/dbraw/zinc/78/93/84/347789384.db2.gz BSAPSYQNHKJIHX-LLVKDONJSA-N 1 2 275.308 2.184 20 5 CEBDLO O=[N+]([O-])c1c(F)cccc1NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000066745633 362882759 /nfs/dbraw/zinc/88/27/59/362882759.db2.gz NQGCQFYBSAUFMY-NSHDSACASA-N 1 2 295.314 2.009 20 5 CEBDLO O=[N+]([O-])c1c(F)cccc1NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000066745633 362882765 /nfs/dbraw/zinc/88/27/65/362882765.db2.gz NQGCQFYBSAUFMY-NSHDSACASA-N 1 2 295.314 2.009 20 5 CEBDLO COc1cc(C[N@@H+]2CCOC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000351977892 219273343 /nfs/dbraw/zinc/27/33/43/219273343.db2.gz LECMLQBHHWATCS-UHFFFAOYSA-N 1 2 280.324 2.214 20 5 CEBDLO COc1cc(C[N@H+]2CCOC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000351977892 219273345 /nfs/dbraw/zinc/27/33/45/219273345.db2.gz LECMLQBHHWATCS-UHFFFAOYSA-N 1 2 280.324 2.214 20 5 CEBDLO C[C@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H](C2CC2)O1 ZINC000619431545 349179408 /nfs/dbraw/zinc/17/94/08/349179408.db2.gz TYSNLOCFWWAWQV-BONVTDFDSA-N 1 2 292.335 2.300 20 5 CEBDLO C[C@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H](C2CC2)O1 ZINC000619431545 349179410 /nfs/dbraw/zinc/17/94/10/349179410.db2.gz TYSNLOCFWWAWQV-BONVTDFDSA-N 1 2 292.335 2.300 20 5 CEBDLO C[C@@H](CC(=O)NCc1ccccc1[N+](=O)[O-])n1cc[nH+]c1 ZINC000569248196 299191820 /nfs/dbraw/zinc/19/18/20/299191820.db2.gz IRSXHFQIAJYXMN-NSHDSACASA-N 1 2 288.307 2.059 20 5 CEBDLO Cc1nonc1C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271714912 191288621 /nfs/dbraw/zinc/28/86/21/191288621.db2.gz JVFMYZKKPBHPHG-QMMMGPOBSA-N 1 2 262.269 2.137 20 5 CEBDLO CC[C@@H]1C(=O)N(CC)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000495260327 291028767 /nfs/dbraw/zinc/02/87/67/291028767.db2.gz QJCRQEMXNUQHOJ-CQSZACIVSA-N 1 2 291.351 2.038 20 5 CEBDLO CC[C@@H]1C(=O)N(CC)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000495260327 291028768 /nfs/dbraw/zinc/02/87/68/291028768.db2.gz QJCRQEMXNUQHOJ-CQSZACIVSA-N 1 2 291.351 2.038 20 5 CEBDLO CN(C)c1[nH+]cccc1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000078880011 363552095 /nfs/dbraw/zinc/55/20/95/363552095.db2.gz GWMUMJBWBNJDHP-UHFFFAOYSA-N 1 2 292.320 2.370 20 5 CEBDLO O=C(Nc1c[nH+]c2n1CCCC2)c1ccc([N+](=O)[O-])s1 ZINC000452336344 283259492 /nfs/dbraw/zinc/25/94/92/283259492.db2.gz VEXHHWVFSOCZCQ-UHFFFAOYSA-N 1 2 292.320 2.441 20 5 CEBDLO CN(Cc1ccc(N)[nH+]c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000135981850 366486159 /nfs/dbraw/zinc/48/61/59/366486159.db2.gz WVWAFDPRCADIKY-UHFFFAOYSA-N 1 2 276.271 2.348 20 5 CEBDLO C[C@@H]1CC[C@](CO)([N@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339100302 366653909 /nfs/dbraw/zinc/65/39/09/366653909.db2.gz KIEYBDWJPSZHPQ-ABAIWWIYSA-N 1 2 294.351 2.283 20 5 CEBDLO C[C@@H]1CC[C@](CO)([N@@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339100302 366653916 /nfs/dbraw/zinc/65/39/16/366653916.db2.gz KIEYBDWJPSZHPQ-ABAIWWIYSA-N 1 2 294.351 2.283 20 5 CEBDLO C[N@H+](CC[C@@H]1CCCO1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339115999 366660126 /nfs/dbraw/zinc/66/01/26/366660126.db2.gz JTVZJYDJRKXAIK-ZDUSSCGKSA-N 1 2 280.324 2.301 20 5 CEBDLO C[N@@H+](CC[C@@H]1CCCO1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339115999 366660131 /nfs/dbraw/zinc/66/01/31/366660131.db2.gz JTVZJYDJRKXAIK-ZDUSSCGKSA-N 1 2 280.324 2.301 20 5 CEBDLO O=[N+]([O-])c1ccc(N2CC[C@H](Oc3cc[nH+]cc3)C2)nc1 ZINC000301662594 201123134 /nfs/dbraw/zinc/12/31/34/201123134.db2.gz YFMYGEWPBUZVJN-ZDUSSCGKSA-N 1 2 286.291 2.043 20 5 CEBDLO Cc1[nH]ncc1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581736323 366818932 /nfs/dbraw/zinc/81/89/32/366818932.db2.gz RVQBOSIKNPANGR-CYBMUJFWSA-N 1 2 272.308 2.403 20 5 CEBDLO Cn1cnc([N+](=O)[O-])c1CSc1[nH+]cc2ccccn21 ZINC000356586504 370763983 /nfs/dbraw/zinc/76/39/83/370763983.db2.gz BOIRGUSLRXVHSY-UHFFFAOYSA-N 1 2 289.320 2.268 20 5 CEBDLO COC(=O)C1([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000118862530 365187429 /nfs/dbraw/zinc/18/74/29/365187429.db2.gz AVOMIJCRCDMWGA-UHFFFAOYSA-N 1 2 292.335 2.213 20 5 CEBDLO Cc1c([C@@H](C)[NH2+][C@H](C)c2ncn(C)n2)cccc1[N+](=O)[O-] ZINC000275738789 193117175 /nfs/dbraw/zinc/11/71/75/193117175.db2.gz QDDXHPSPXUEWNY-GHMZBOCLSA-N 1 2 289.339 2.444 20 5 CEBDLO Cn1cc[nH+]c1[C@@H](Nc1ncc([N+](=O)[O-])s1)C1CC1 ZINC000343266449 367732088 /nfs/dbraw/zinc/73/20/88/367732088.db2.gz DKKNUSAOHBHBNJ-VIFPVBQESA-N 1 2 279.325 2.348 20 5 CEBDLO O=C(CC[N@@H+]1CCC(F)(F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000345828479 368442895 /nfs/dbraw/zinc/44/28/95/368442895.db2.gz TZYDSOKPUCXPOK-UHFFFAOYSA-N 1 2 299.277 2.264 20 5 CEBDLO O=C(CC[N@H+]1CCC(F)(F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000345828479 368442898 /nfs/dbraw/zinc/44/28/98/368442898.db2.gz TZYDSOKPUCXPOK-UHFFFAOYSA-N 1 2 299.277 2.264 20 5 CEBDLO CCOC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000183690296 368642810 /nfs/dbraw/zinc/64/28/10/368642810.db2.gz AUSCOBFBZYLSOD-AWEZNQCLSA-N 1 2 292.335 2.431 20 5 CEBDLO CCOC(=O)[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000183690296 368642815 /nfs/dbraw/zinc/64/28/15/368642815.db2.gz AUSCOBFBZYLSOD-AWEZNQCLSA-N 1 2 292.335 2.431 20 5 CEBDLO COc1cccc(N(C)CCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000185591444 368827839 /nfs/dbraw/zinc/82/78/39/368827839.db2.gz MKTAAAMMCJMMFD-UHFFFAOYSA-N 1 2 290.323 2.326 20 5 CEBDLO O=[N+]([O-])c1ccc(SCCCn2cc[nH+]c2)nc1 ZINC000185632024 368834898 /nfs/dbraw/zinc/83/48/98/368834898.db2.gz WIKJFEATFSWIIN-UHFFFAOYSA-N 1 2 264.310 2.369 20 5 CEBDLO CC(C)[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000330757558 203197133 /nfs/dbraw/zinc/19/71/33/203197133.db2.gz ZQVVDZYSVDTSMZ-HNNXBMFYSA-N 1 2 294.351 2.330 20 5 CEBDLO CC(C)[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000330757558 203197136 /nfs/dbraw/zinc/19/71/36/203197136.db2.gz ZQVVDZYSVDTSMZ-HNNXBMFYSA-N 1 2 294.351 2.330 20 5 CEBDLO COC(=O)[C@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1C ZINC000191790991 369743506 /nfs/dbraw/zinc/74/35/06/369743506.db2.gz VUVLDGYYZNBISE-KOLCDFICSA-N 1 2 298.364 2.287 20 5 CEBDLO COC(=O)[C@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1C ZINC000191790991 369743509 /nfs/dbraw/zinc/74/35/09/369743509.db2.gz VUVLDGYYZNBISE-KOLCDFICSA-N 1 2 298.364 2.287 20 5 CEBDLO Cc1c([C@H](C)[NH2+][C@@H](C)c2ncnn2C)cccc1[N+](=O)[O-] ZINC000276535308 193371027 /nfs/dbraw/zinc/37/10/27/193371027.db2.gz DCHPVQSRIAKKRB-QWRGUYRKSA-N 1 2 289.339 2.444 20 5 CEBDLO COC[C@@H]1C[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000251918465 371423956 /nfs/dbraw/zinc/42/39/56/371423956.db2.gz SFWUFNIDLNWYGX-ZOWXZIJZSA-N 1 2 294.351 2.392 20 5 CEBDLO COC[C@@H]1C[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000251918465 371423963 /nfs/dbraw/zinc/42/39/63/371423963.db2.gz SFWUFNIDLNWYGX-ZOWXZIJZSA-N 1 2 294.351 2.392 20 5 CEBDLO C[C@H]1c2nncn2CC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000361656543 372008124 /nfs/dbraw/zinc/00/81/24/372008124.db2.gz SVLNEVVWMVOZPC-FUEXJSSKSA-N 1 2 299.334 2.276 20 5 CEBDLO C[C@H]1c2nncn2CC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000361656543 372008130 /nfs/dbraw/zinc/00/81/30/372008130.db2.gz SVLNEVVWMVOZPC-FUEXJSSKSA-N 1 2 299.334 2.276 20 5 CEBDLO C[C@@H]1c2nncn2CC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000361656546 372008337 /nfs/dbraw/zinc/00/83/37/372008337.db2.gz SVLNEVVWMVOZPC-TXNVCOODSA-N 1 2 299.334 2.276 20 5 CEBDLO C[C@@H]1c2nncn2CC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000361656546 372008340 /nfs/dbraw/zinc/00/83/40/372008340.db2.gz SVLNEVVWMVOZPC-TXNVCOODSA-N 1 2 299.334 2.276 20 5 CEBDLO O=[N+]([O-])c1ccc(N2CCCC[C@H]2c2[nH]cc[nH+]2)nc1 ZINC000267227343 372063624 /nfs/dbraw/zinc/06/36/24/372063624.db2.gz FDSKKTWXNAXXHQ-NSHDSACASA-N 1 2 273.296 2.445 20 5 CEBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCOC1 ZINC000272789786 373657105 /nfs/dbraw/zinc/65/71/05/373657105.db2.gz JCRHZUNDGDCRET-NSHDSACASA-N 1 2 270.716 2.469 20 5 CEBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCOC1 ZINC000272789786 373657113 /nfs/dbraw/zinc/65/71/13/373657113.db2.gz JCRHZUNDGDCRET-NSHDSACASA-N 1 2 270.716 2.469 20 5 CEBDLO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCn2c[nH+]cc2C1 ZINC000370676239 373713647 /nfs/dbraw/zinc/71/36/47/373713647.db2.gz JLMXLRJOZIXOFH-UHFFFAOYSA-N 1 2 286.291 2.014 20 5 CEBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cocn1 ZINC000289547870 197397717 /nfs/dbraw/zinc/39/77/17/197397717.db2.gz QWZZITRZWPLJGI-UHFFFAOYSA-N 1 2 261.281 2.257 20 5 CEBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cocn1 ZINC000289547870 197397719 /nfs/dbraw/zinc/39/77/19/197397719.db2.gz QWZZITRZWPLJGI-UHFFFAOYSA-N 1 2 261.281 2.257 20 5 CEBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000277033751 374384956 /nfs/dbraw/zinc/38/49/56/374384956.db2.gz BHQFPJAJUUWVPX-XXRNEEKGSA-N 1 2 296.392 2.499 20 5 CEBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000277033751 374384960 /nfs/dbraw/zinc/38/49/60/374384960.db2.gz BHQFPJAJUUWVPX-XXRNEEKGSA-N 1 2 296.392 2.499 20 5 CEBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000277584804 374572335 /nfs/dbraw/zinc/57/23/35/374572335.db2.gz WEHYQPYNJGRIAI-FKANQGBASA-N 1 2 296.392 2.356 20 5 CEBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000277584804 374572342 /nfs/dbraw/zinc/57/23/42/374572342.db2.gz WEHYQPYNJGRIAI-FKANQGBASA-N 1 2 296.392 2.356 20 5 CEBDLO C[C@H]([C@H](C)Nc1c(F)cccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000287833345 376324101 /nfs/dbraw/zinc/32/41/01/376324101.db2.gz KUNYCZUHHWDQCE-WDEREUQCSA-N 1 2 297.330 2.255 20 5 CEBDLO COC(C)(C)C[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000557004001 376529182 /nfs/dbraw/zinc/52/91/82/376529182.db2.gz CTXRYPKPLVVNOV-UHFFFAOYSA-N 1 2 268.313 2.157 20 5 CEBDLO COC(C)(C)C[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000557004001 376529186 /nfs/dbraw/zinc/52/91/86/376529186.db2.gz CTXRYPKPLVVNOV-UHFFFAOYSA-N 1 2 268.313 2.157 20 5 CEBDLO COc1ccc(C[NH2+]Cc2nccs2)cc1[N+](=O)[O-] ZINC000264330994 190104204 /nfs/dbraw/zinc/10/42/04/190104204.db2.gz KOHYEJWHVCTWTE-UHFFFAOYSA-N 1 2 279.321 2.350 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCCC[C@H]1CCO ZINC000330579271 377191634 /nfs/dbraw/zinc/19/16/34/377191634.db2.gz OSIZNVAZNRKQEO-LBPRGKRZSA-N 1 2 280.324 2.037 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCCC[C@H]1CCO ZINC000330579271 377191645 /nfs/dbraw/zinc/19/16/45/377191645.db2.gz OSIZNVAZNRKQEO-LBPRGKRZSA-N 1 2 280.324 2.037 20 5 CEBDLO C[C@H](O)C[C@H]1CCCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330458863 377143467 /nfs/dbraw/zinc/14/34/67/377143467.db2.gz PPONLJADWWJCJV-WCQYABFASA-N 1 2 294.351 2.426 20 5 CEBDLO C[C@H](O)C[C@H]1CCCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330458863 377143478 /nfs/dbraw/zinc/14/34/78/377143478.db2.gz PPONLJADWWJCJV-WCQYABFASA-N 1 2 294.351 2.426 20 5 CEBDLO C[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ncn(C)n1 ZINC000563418403 377217176 /nfs/dbraw/zinc/21/71/76/377217176.db2.gz OZFULJFZMCDWEY-JOYOIKCWSA-N 1 2 287.323 2.061 20 5 CEBDLO C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1c(F)cccc1F ZINC000293434773 377565741 /nfs/dbraw/zinc/56/57/41/377565741.db2.gz OCIMFXAIGGMWPR-UHFFFAOYSA-N 1 2 296.277 2.202 20 5 CEBDLO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1c(F)cccc1F ZINC000293434773 377565748 /nfs/dbraw/zinc/56/57/48/377565748.db2.gz OCIMFXAIGGMWPR-UHFFFAOYSA-N 1 2 296.277 2.202 20 5 CEBDLO Cn1c[nH+]cc1CSc1ccc([N+](=O)[O-])cn1 ZINC000448105042 378169929 /nfs/dbraw/zinc/16/99/29/378169929.db2.gz NHSRTUNDAJGXDA-UHFFFAOYSA-N 1 2 250.283 2.016 20 5 CEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1[C@H](C)C[C@@H]1C ZINC000547768710 380467625 /nfs/dbraw/zinc/46/76/25/380467625.db2.gz GMOYVGVMMDCUDS-AXFHLTTASA-N 1 2 277.324 2.405 20 5 CEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1[C@H](C)C[C@@H]1C ZINC000547768710 380467632 /nfs/dbraw/zinc/46/76/32/380467632.db2.gz GMOYVGVMMDCUDS-AXFHLTTASA-N 1 2 277.324 2.405 20 5 CEBDLO COc1ccc(OCCOc2cc[nH+]cc2)c([N+](=O)[O-])c1 ZINC000356091194 533016821 /nfs/dbraw/zinc/01/68/21/533016821.db2.gz ICBWOCPXHARIRU-UHFFFAOYSA-N 1 2 290.275 2.456 20 5 CEBDLO CC[NH+]1C[C@H](C)N(Cc2cc(O)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000331352762 285461519 /nfs/dbraw/zinc/46/15/19/285461519.db2.gz ORYVHICERDYVPO-RYUDHWBXSA-N 1 2 293.367 2.215 20 5 CEBDLO CCCc1[nH+]ccn1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000412995814 394454864 /nfs/dbraw/zinc/45/48/64/394454864.db2.gz DKGYEAMEAZMDPZ-UHFFFAOYSA-N 1 2 261.281 2.498 20 5 CEBDLO CN(c1[nH+]ccc2ccc([N+](=O)[O-])cc21)C1CC(O)C1 ZINC000413232018 394508895 /nfs/dbraw/zinc/50/88/95/394508895.db2.gz MOOHWAKYOXKCCX-UHFFFAOYSA-N 1 2 273.292 2.103 20 5 CEBDLO COC[C@@H]1C[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000275874024 394809229 /nfs/dbraw/zinc/80/92/29/394809229.db2.gz PAHUIBIWRVBMND-UPJWGTAASA-N 1 2 294.351 2.392 20 5 CEBDLO COC[C@@H]1C[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000275874024 394809234 /nfs/dbraw/zinc/80/92/34/394809234.db2.gz PAHUIBIWRVBMND-UPJWGTAASA-N 1 2 294.351 2.392 20 5 CEBDLO Cc1nc(NCCc2cccc([N+](=O)[O-])c2)cc[nH+]1 ZINC000129633228 394870472 /nfs/dbraw/zinc/87/04/72/394870472.db2.gz WRVKKRBZDVMISV-UHFFFAOYSA-N 1 2 258.281 2.348 20 5 CEBDLO COc1cc(N(C)Cc2[nH]cc[nH+]2)c(F)cc1[N+](=O)[O-] ZINC000428133015 395138089 /nfs/dbraw/zinc/13/80/89/395138089.db2.gz VWHYGDXGFCSRLW-UHFFFAOYSA-N 1 2 280.259 2.102 20 5 CEBDLO Cn1ccnc1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000291693880 395156353 /nfs/dbraw/zinc/15/63/53/395156353.db2.gz JJPVJLWQJAJEBL-UHFFFAOYSA-N 1 2 274.324 2.353 20 5 CEBDLO Cc1ccc(CNc2cccc(CO)[nH+]2)cc1[N+](=O)[O-] ZINC000432750463 395178022 /nfs/dbraw/zinc/17/80/22/395178022.db2.gz ZJLAZTAWWMVJJJ-UHFFFAOYSA-N 1 2 273.292 2.403 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@@H](C)C1 ZINC000183247405 395254222 /nfs/dbraw/zinc/25/42/22/395254222.db2.gz QMBRIDVWZAYFTP-NSHDSACASA-N 1 2 250.298 2.124 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@@H](C)C1 ZINC000183247405 395254229 /nfs/dbraw/zinc/25/42/29/395254229.db2.gz QMBRIDVWZAYFTP-NSHDSACASA-N 1 2 250.298 2.124 20 5 CEBDLO C[C@]1(CO)CCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000573346735 395606128 /nfs/dbraw/zinc/60/61/28/395606128.db2.gz YTARWSCSDHJANV-CYBMUJFWSA-N 1 2 286.278 2.220 20 5 CEBDLO C[C@]1(CO)CCC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000573346735 395606131 /nfs/dbraw/zinc/60/61/31/395606131.db2.gz YTARWSCSDHJANV-CYBMUJFWSA-N 1 2 286.278 2.220 20 5 CEBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@@H](F)C1 ZINC000451191343 395591169 /nfs/dbraw/zinc/59/11/69/395591169.db2.gz RDBABBPNSBALGW-SNVBAGLBSA-N 1 2 254.261 2.017 20 5 CEBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@@H](F)C1 ZINC000451191343 395591171 /nfs/dbraw/zinc/59/11/71/395591171.db2.gz RDBABBPNSBALGW-SNVBAGLBSA-N 1 2 254.261 2.017 20 5 CEBDLO Cc1cn2c([nH+]1)CN(Cc1ccccc1[N+](=O)[O-])CC2 ZINC000376267092 157203218 /nfs/dbraw/zinc/20/32/18/157203218.db2.gz RFUPBZPIKWSDLK-UHFFFAOYSA-N 1 2 272.308 2.116 20 5 CEBDLO C[C@@H]1COC[C@@H](C)[NH+]1Cc1ccccc1[N+](=O)[O-] ZINC000077366580 297149078 /nfs/dbraw/zinc/14/90/78/297149078.db2.gz FYYUYRRQMCKPIA-GHMZBOCLSA-N 1 2 250.298 2.204 20 5 CEBDLO O=C(NCc1ccn2cc[nH+]c2c1)c1ccc([N+](=O)[O-])cc1 ZINC000178057828 165220645 /nfs/dbraw/zinc/22/06/45/165220645.db2.gz POFPJNRVXGSKFO-UHFFFAOYSA-N 1 2 296.286 2.173 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCSCC1 ZINC000430204916 271362210 /nfs/dbraw/zinc/36/22/10/271362210.db2.gz SKXBPROPITZRKY-UHFFFAOYSA-N 1 2 268.338 2.152 20 5 CEBDLO COc1nccnc1C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000295440737 278097993 /nfs/dbraw/zinc/09/79/93/278097993.db2.gz PJFZYWMGECZDRB-JTQLQIEISA-N 1 2 288.307 2.244 20 5 CEBDLO COc1cc[nH+]c(Cn2cc([N+](=O)[O-])c(C3CC3)n2)c1 ZINC000436183564 281404161 /nfs/dbraw/zinc/40/41/61/281404161.db2.gz AZJDEWHHQVMOKH-UHFFFAOYSA-N 1 2 274.280 2.121 20 5 CEBDLO Cc1ccnc(N2CCN(c3cccc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000301278872 292774050 /nfs/dbraw/zinc/77/40/50/292774050.db2.gz JNYIEEZYLBLJJD-UHFFFAOYSA-N 1 2 299.334 2.020 20 5 CEBDLO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccn(C)n1 ZINC000459758071 290229692 /nfs/dbraw/zinc/22/96/92/290229692.db2.gz QKTPEPQMLOHSSS-SECBINFHSA-N 1 2 278.287 2.318 20 5 CEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC4(C3)CCOC4)c2c1 ZINC000521981572 297652411 /nfs/dbraw/zinc/65/24/11/297652411.db2.gz JFQUXJULFBBYIZ-UHFFFAOYSA-N 1 2 285.303 2.370 20 5 CEBDLO COc1ccc(NC(=O)C[NH+]2[C@H](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000548095858 298393092 /nfs/dbraw/zinc/39/30/92/298393092.db2.gz QNIARFNRRZERJS-NXEZZACHSA-N 1 2 293.323 2.025 20 5 CEBDLO C[C@H]1C[C@H](C)[NH+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000548424277 298410055 /nfs/dbraw/zinc/41/00/55/298410055.db2.gz FRVKRMCKNNWSCV-UWVGGRQHSA-N 1 2 263.297 2.016 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1[C@@H](C)C[C@@H]1C ZINC000548425488 298410202 /nfs/dbraw/zinc/41/02/02/298410202.db2.gz LTQUOJDTIUWAPU-QWRGUYRKSA-N 1 2 277.324 2.324 20 5 CEBDLO COCC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000505824038 313043301 /nfs/dbraw/zinc/04/33/01/313043301.db2.gz CIUORBYILGWUFM-UHFFFAOYSA-N 1 2 268.288 2.345 20 5 CEBDLO COCC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000505824038 313043304 /nfs/dbraw/zinc/04/33/04/313043304.db2.gz CIUORBYILGWUFM-UHFFFAOYSA-N 1 2 268.288 2.345 20 5 CEBDLO Cc1cc(NC(=O)Cc2ccccc2[N+](=O)[O-])c(C)c[nH+]1 ZINC000535749092 313396504 /nfs/dbraw/zinc/39/65/04/313396504.db2.gz GNPOJLZZKCMWHX-UHFFFAOYSA-N 1 2 285.303 2.210 20 5 CEBDLO C[C@@H]([NH2+][C@@H](C)c1nccc(N)n1)c1cccc([N+](=O)[O-])c1 ZINC000565158493 313799843 /nfs/dbraw/zinc/79/98/43/313799843.db2.gz SIJLBXULXUFQAD-ZJUUUORDSA-N 1 2 287.323 2.209 20 5 CEBDLO O=[N+]([O-])c1cc2c(nc1NCCn1cc[nH+]c1)CCCC2 ZINC000581545384 322405025 /nfs/dbraw/zinc/40/50/25/322405025.db2.gz LFCBAIUSHGNIPR-UHFFFAOYSA-N 1 2 287.323 2.177 20 5 CEBDLO Cc1ccc(N[C@H](C)C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000049509329 525316504 /nfs/dbraw/zinc/31/65/04/525316504.db2.gz NFOWQTJKPNWPBS-GFCCVEGCSA-N 1 2 279.340 2.036 20 5 CEBDLO O=[N+]([O-])c1cc(F)c(N2CCc3[nH+]c[nH]c3C2)c(F)c1 ZINC000820580842 634455980 /nfs/dbraw/zinc/45/59/80/634455980.db2.gz FDIWZBXFSUNZRC-UHFFFAOYSA-N 1 2 280.234 2.159 20 5 CEBDLO Cc1c(COC(=O)[C@H]2CCCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000745078119 627907112 /nfs/dbraw/zinc/90/71/12/627907112.db2.gz ATSAEMSNTPKZCG-CQSZACIVSA-N 1 2 292.335 2.431 20 5 CEBDLO Cc1c(COC(=O)[C@H]2CCCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000745078119 627907115 /nfs/dbraw/zinc/90/71/15/627907115.db2.gz ATSAEMSNTPKZCG-CQSZACIVSA-N 1 2 292.335 2.431 20 5 CEBDLO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1cnnn1C ZINC000925512374 628046009 /nfs/dbraw/zinc/04/60/09/628046009.db2.gz BXPGQJCAPTWERD-MRVPVSSYSA-N 1 2 295.730 2.228 20 5 CEBDLO C[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])Cc2c[nH]nc21 ZINC000931453567 628585159 /nfs/dbraw/zinc/58/51/59/628585159.db2.gz NBUMTCWJEWEGTR-JTQLQIEISA-N 1 2 272.308 2.437 20 5 CEBDLO C[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])Cc2c[nH]nc21 ZINC000931453567 628585162 /nfs/dbraw/zinc/58/51/62/628585162.db2.gz NBUMTCWJEWEGTR-JTQLQIEISA-N 1 2 272.308 2.437 20 5 CEBDLO C[C@@H]([NH2+]Cc1ncnn1CCF)c1ccc([N+](=O)[O-])cc1 ZINC000932178767 628982669 /nfs/dbraw/zinc/98/26/69/628982669.db2.gz SUVAURIGTSJWFA-SNVBAGLBSA-N 1 2 293.302 2.007 20 5 CEBDLO Cc1ccnc(N)c1C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000894025987 629094437 /nfs/dbraw/zinc/09/44/37/629094437.db2.gz BKKSMXPURMRZKF-UHFFFAOYSA-N 1 2 298.346 2.439 20 5 CEBDLO Cc1ccnc(N)c1C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000894025987 629094439 /nfs/dbraw/zinc/09/44/39/629094439.db2.gz BKKSMXPURMRZKF-UHFFFAOYSA-N 1 2 298.346 2.439 20 5 CEBDLO Cc1nnc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)[nH]1 ZINC000894779162 629634445 /nfs/dbraw/zinc/63/44/45/629634445.db2.gz VTJWLBNAXJTFKE-VIFPVBQESA-N 1 2 275.312 2.181 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(C(=O)O[C@H]2CC[N@H+](CCF)C2)c1 ZINC000802235563 631410850 /nfs/dbraw/zinc/41/08/50/631410850.db2.gz PBVZKFDLMWHXNA-NSHDSACASA-N 1 2 296.298 2.104 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(C(=O)O[C@H]2CC[N@@H+](CCF)C2)c1 ZINC000802235563 631410852 /nfs/dbraw/zinc/41/08/52/631410852.db2.gz PBVZKFDLMWHXNA-NSHDSACASA-N 1 2 296.298 2.104 20 5 CEBDLO COC[C@@H]1CC[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000816636592 633454407 /nfs/dbraw/zinc/45/44/07/633454407.db2.gz BSRVHSSNUFMUPE-JTQLQIEISA-N 1 2 270.716 2.469 20 5 CEBDLO COC[C@@H]1CC[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000816636592 633454410 /nfs/dbraw/zinc/45/44/10/633454410.db2.gz BSRVHSSNUFMUPE-JTQLQIEISA-N 1 2 270.716 2.469 20 5 CEBDLO COc1cc([C@@H](C)[NH2+]Cc2ccn(C)n2)cc([N+](=O)[O-])c1 ZINC000903128717 634983926 /nfs/dbraw/zinc/98/39/26/634983926.db2.gz AEBMSEQHMGKLBM-SNVBAGLBSA-N 1 2 290.323 2.188 20 5 CEBDLO C[C@H]([NH2+]Cc1cn(C2CC2)nn1)c1cccc([N+](=O)[O-])c1 ZINC000906286082 636680177 /nfs/dbraw/zinc/68/01/77/636680177.db2.gz ORDQJOYHBOJTIH-JTQLQIEISA-N 1 2 287.323 2.372 20 5 CEBDLO C[C@@H]1CCC[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000044756149 639361364 /nfs/dbraw/zinc/36/13/64/639361364.db2.gz NMUWALKMJWWYLD-SNVBAGLBSA-N 1 2 291.307 2.192 20 5 CEBDLO C[C@@H]1CCC[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000044756149 639361373 /nfs/dbraw/zinc/36/13/73/639361373.db2.gz NMUWALKMJWWYLD-SNVBAGLBSA-N 1 2 291.307 2.192 20 5 CEBDLO CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)Cn1nccc1[N+](=O)[O-] ZINC000165044662 639413075 /nfs/dbraw/zinc/41/30/75/639413075.db2.gz PDWQFGBDFKLSCC-NWDGAFQWSA-N 1 2 296.371 2.274 20 5 CEBDLO CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)Cn1nccc1[N+](=O)[O-] ZINC000165044662 639413080 /nfs/dbraw/zinc/41/30/80/639413080.db2.gz PDWQFGBDFKLSCC-NWDGAFQWSA-N 1 2 296.371 2.274 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)c([N+](=O)[O-])c1 ZINC000844461908 640736565 /nfs/dbraw/zinc/73/65/65/640736565.db2.gz LPNHAXNRTOBVJW-AOOOYVTPSA-N 1 2 299.233 2.200 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)c([N+](=O)[O-])c1 ZINC000844461908 640736568 /nfs/dbraw/zinc/73/65/68/640736568.db2.gz LPNHAXNRTOBVJW-AOOOYVTPSA-N 1 2 299.233 2.200 20 5 CEBDLO COCC[N@H+](C)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000921048954 641223198 /nfs/dbraw/zinc/22/31/98/641223198.db2.gz ZHLGVRMRJMWSFG-UHFFFAOYSA-N 1 2 297.336 2.408 20 5 CEBDLO COCC[N@@H+](C)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000921048954 641223201 /nfs/dbraw/zinc/22/32/01/641223201.db2.gz ZHLGVRMRJMWSFG-UHFFFAOYSA-N 1 2 297.336 2.408 20 5 CEBDLO Cc1nonc1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848910269 642185408 /nfs/dbraw/zinc/18/54/08/642185408.db2.gz HNEKNODQUFRROB-LLVKDONJSA-N 1 2 274.280 2.063 20 5 CEBDLO CC(C)OC[C@H]([NH3+])c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000849228543 642289006 /nfs/dbraw/zinc/28/90/06/642289006.db2.gz MVNJNFFOVYMCEZ-NSHDSACASA-N 1 2 292.295 2.070 20 5 CEBDLO Cc1noc(C[NH2+][C@H](CCO)c2cccs2)c1[N+](=O)[O-] ZINC000851925764 643227475 /nfs/dbraw/zinc/22/74/75/643227475.db2.gz AKPOIXXNTBNZOJ-SECBINFHSA-N 1 2 297.336 2.166 20 5 CEBDLO CC[C@@H]1CC[N@@H+]1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853515510 643798822 /nfs/dbraw/zinc/79/88/22/643798822.db2.gz XCJYZTKXCYYDGN-LLVKDONJSA-N 1 2 287.323 2.295 20 5 CEBDLO CC[C@@H]1CC[N@H+]1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853515510 643798827 /nfs/dbraw/zinc/79/88/27/643798827.db2.gz XCJYZTKXCYYDGN-LLVKDONJSA-N 1 2 287.323 2.295 20 5 CEBDLO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000857856594 644983044 /nfs/dbraw/zinc/98/30/44/644983044.db2.gz AWYAWIXMPNFGNS-GFCCVEGCSA-N 1 2 272.308 2.485 20 5 CEBDLO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000857856594 644983047 /nfs/dbraw/zinc/98/30/47/644983047.db2.gz AWYAWIXMPNFGNS-GFCCVEGCSA-N 1 2 272.308 2.485 20 5 CEBDLO C[N@@H+](Cc1cscn1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776276571 647044589 /nfs/dbraw/zinc/04/45/89/647044589.db2.gz JUIJNBPMWDDGPZ-ZDUSSCGKSA-N 1 2 293.348 2.217 20 5 CEBDLO C[N@H+](Cc1cscn1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776276571 647044593 /nfs/dbraw/zinc/04/45/93/647044593.db2.gz JUIJNBPMWDDGPZ-ZDUSSCGKSA-N 1 2 293.348 2.217 20 5 CEBDLO Cc1nn(C[N@H+]2CC[C@H](OCC(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000120818804 647545921 /nfs/dbraw/zinc/54/59/21/647545921.db2.gz YFQHQSQQCLMKMM-ZDUSSCGKSA-N 1 2 296.371 2.113 20 5 CEBDLO Cc1nn(C[N@@H+]2CC[C@H](OCC(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000120818804 647545925 /nfs/dbraw/zinc/54/59/25/647545925.db2.gz YFQHQSQQCLMKMM-ZDUSSCGKSA-N 1 2 296.371 2.113 20 5 CEBDLO Nc1ccc(NCCc2cn3ccccc3[nH+]2)c([N+](=O)[O-])c1 ZINC000786579632 648029307 /nfs/dbraw/zinc/02/93/07/648029307.db2.gz BMFOKADZZTXWBD-UHFFFAOYSA-N 1 2 297.318 2.479 20 5 CEBDLO Cc1nn(C[NH+]2CCC(CCF)CC2)cc1[N+](=O)[O-] ZINC000872648936 649448918 /nfs/dbraw/zinc/44/89/18/649448918.db2.gz REJLGODCMIHRCT-UHFFFAOYSA-N 1 2 270.308 2.129 20 5 CEBDLO C[C@@H]1CC[C@H](CO)[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000880444546 651442416 /nfs/dbraw/zinc/44/24/16/651442416.db2.gz VVOJBWLBBWTKGO-RKDXNWHRSA-N 1 2 286.278 2.218 20 5 CEBDLO C[C@@H]1CC[C@H](CO)[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000880444546 651442417 /nfs/dbraw/zinc/44/24/17/651442417.db2.gz VVOJBWLBBWTKGO-RKDXNWHRSA-N 1 2 286.278 2.218 20 5 CEBDLO Cc1cccc(OC2C[NH+](C(C)C)C2)c1[N+](=O)[O-] ZINC001225633280 805050157 /nfs/dbraw/zinc/05/01/57/805050157.db2.gz RCCKGKUFHSGOCA-UHFFFAOYSA-N 1 2 250.298 2.375 20 5 CEBDLO COc1nc(NC(=[NH2+])C(C)(C)C)ccc1[N+](=O)[O-] ZINC001155181725 811012366 /nfs/dbraw/zinc/01/23/66/811012366.db2.gz XUYWBOVWEHYBLJ-UHFFFAOYSA-N 1 2 252.274 2.434 20 5 CEBDLO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H](CF)C(F)(F)C2)C1 ZINC001169010959 811334360 /nfs/dbraw/zinc/33/43/60/811334360.db2.gz GRCIHNUUNVHWQO-GMTAPVOTSA-N 1 2 280.290 2.359 20 5 CEBDLO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CC[C@H](CF)C(F)(F)C2)C1 ZINC001169010959 811334367 /nfs/dbraw/zinc/33/43/67/811334367.db2.gz GRCIHNUUNVHWQO-GMTAPVOTSA-N 1 2 280.290 2.359 20 5 CEBDLO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@H](CF)C(F)(F)C2)C1 ZINC001169010960 811334620 /nfs/dbraw/zinc/33/46/20/811334620.db2.gz GRCIHNUUNVHWQO-MXWKQRLJSA-N 1 2 280.290 2.359 20 5 CEBDLO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC[C@H](CF)C(F)(F)C2)C1 ZINC001169010960 811334624 /nfs/dbraw/zinc/33/46/24/811334624.db2.gz GRCIHNUUNVHWQO-MXWKQRLJSA-N 1 2 280.290 2.359 20 5 CEBDLO O=C1CC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172912884 815558970 /nfs/dbraw/zinc/55/89/70/815558970.db2.gz CETGDMXSEAGKCY-ZDUSSCGKSA-N 1 2 274.320 2.117 20 5 CEBDLO O=C1CC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172912884 815558971 /nfs/dbraw/zinc/55/89/71/815558971.db2.gz CETGDMXSEAGKCY-ZDUSSCGKSA-N 1 2 274.320 2.117 20 5 CEBDLO CC[N@@H+]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000754080358 814117330 /nfs/dbraw/zinc/11/73/30/814117330.db2.gz UGADBFXYAUGVPA-VIFPVBQESA-N 1 2 285.294 2.403 20 5 CEBDLO CC[N@H+]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000754080358 814117335 /nfs/dbraw/zinc/11/73/35/814117335.db2.gz UGADBFXYAUGVPA-VIFPVBQESA-N 1 2 285.294 2.403 20 5 CEBDLO CCOC(=O)C(C)(C)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173218933 815624833 /nfs/dbraw/zinc/62/48/33/815624833.db2.gz UBBAGGXEUCYPGW-NSHDSACASA-N 1 2 294.351 2.457 20 5 CEBDLO CC(C)(CCC(=O)Nc1cccc2[nH+]ccn21)[N+](=O)[O-] ZINC000294974866 199278809 /nfs/dbraw/zinc/27/88/09/199278809.db2.gz NLVLZFFOTBKXEA-UHFFFAOYSA-N 1 2 276.296 2.108 20 5 CEBDLO COC[C@]1(C)CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000449389463 282213150 /nfs/dbraw/zinc/21/31/50/282213150.db2.gz DBEPKQSIVGKRLN-CQSZACIVSA-N 1 2 280.324 2.159 20 5 CEBDLO COC[C@]1(C)CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000449389463 282213152 /nfs/dbraw/zinc/21/31/52/282213152.db2.gz DBEPKQSIVGKRLN-CQSZACIVSA-N 1 2 280.324 2.159 20 5 CEBDLO CC[C@H](C)NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599453 362184769 /nfs/dbraw/zinc/18/47/69/362184769.db2.gz ZWCSUDOUNBEGDV-NWDGAFQWSA-N 1 2 293.367 2.330 20 5 CEBDLO CC[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599453 362184774 /nfs/dbraw/zinc/18/47/74/362184774.db2.gz ZWCSUDOUNBEGDV-NWDGAFQWSA-N 1 2 293.367 2.330 20 5 CEBDLO O=[N+]([O-])c1cnccc1NCCc1cn2ccccc2[nH+]1 ZINC000066797606 343722313 /nfs/dbraw/zinc/72/23/13/343722313.db2.gz WWENXDOFDULXRB-UHFFFAOYSA-N 1 2 283.291 2.292 20 5 CEBDLO CCOC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000048567988 362285936 /nfs/dbraw/zinc/28/59/36/362285936.db2.gz LSKLVDMEZBWJBS-UHFFFAOYSA-N 1 2 280.324 2.368 20 5 CEBDLO CCOC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000048567988 362285940 /nfs/dbraw/zinc/28/59/40/362285940.db2.gz LSKLVDMEZBWJBS-UHFFFAOYSA-N 1 2 280.324 2.368 20 5 CEBDLO CC(C)OC(=O)[C@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449667187 282323557 /nfs/dbraw/zinc/32/35/57/282323557.db2.gz QRFAKLXSOGSQPR-NEPJUHHUSA-N 1 2 294.351 2.456 20 5 CEBDLO COCc1cc([N+](=O)[O-])ccc1NCCCn1cc[nH+]c1 ZINC000091424908 344162040 /nfs/dbraw/zinc/16/20/40/344162040.db2.gz LZNARQXGXZUKIM-UHFFFAOYSA-N 1 2 290.323 2.440 20 5 CEBDLO O=C(NC1CC=CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000125938661 344320918 /nfs/dbraw/zinc/32/09/18/344320918.db2.gz SJGAIUQWTKBMDU-UHFFFAOYSA-N 1 2 298.302 2.229 20 5 CEBDLO CCn1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)nn1 ZINC000404469911 344880541 /nfs/dbraw/zinc/88/05/41/344880541.db2.gz PYPWKNDQAYRBFD-JTQLQIEISA-N 1 2 275.312 2.057 20 5 CEBDLO CC(C)Oc1cc[nH+]c(Cn2nccc2[N+](=O)[O-])c1 ZINC000593423877 345482861 /nfs/dbraw/zinc/48/28/61/345482861.db2.gz NWQJEYPIHHPMPM-UHFFFAOYSA-N 1 2 262.269 2.022 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1cc[nH]n1 ZINC000595018349 345728000 /nfs/dbraw/zinc/72/80/00/345728000.db2.gz NSFFPAFTWKCIED-VIFPVBQESA-N 1 2 276.296 2.177 20 5 CEBDLO O=[N+]([O-])c1cncc(Cl)c1N1CC[NH+](C2CCC2)CC1 ZINC000596127018 345945730 /nfs/dbraw/zinc/94/57/30/345945730.db2.gz SKWCXRRGVXCSLW-UHFFFAOYSA-N 1 2 296.758 2.318 20 5 CEBDLO Cc1cc(N(C)Cc2ccc(N)[nH+]c2)c([N+](=O)[O-])s1 ZINC000596195948 345966493 /nfs/dbraw/zinc/96/64/93/345966493.db2.gz OUCPNKJTIMQBJM-UHFFFAOYSA-N 1 2 278.337 2.409 20 5 CEBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1sccc1[N+](=O)[O-] ZINC000596426521 346020311 /nfs/dbraw/zinc/02/03/11/346020311.db2.gz BKNPTJMCZZNLQS-ZJUUUORDSA-N 1 2 285.369 2.177 20 5 CEBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1sccc1[N+](=O)[O-] ZINC000596426521 346020315 /nfs/dbraw/zinc/02/03/15/346020315.db2.gz BKNPTJMCZZNLQS-ZJUUUORDSA-N 1 2 285.369 2.177 20 5 CEBDLO CC(=O)c1cc([N+](=O)[O-])ccc1N(C)Cc1[nH+]ccn1C ZINC000062252865 362716210 /nfs/dbraw/zinc/71/62/10/362716210.db2.gz BOICSYTVNXXVLK-UHFFFAOYSA-N 1 2 288.307 2.167 20 5 CEBDLO O=[N+]([O-])c1c(NC[C@H]2C[C@@H](O)C2)ccc2c[nH+]ccc21 ZINC000599174220 346473009 /nfs/dbraw/zinc/47/30/09/346473009.db2.gz MYTSZFYRTSCNJD-JGZJWPJOSA-N 1 2 273.292 2.326 20 5 CEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NC[C@H]3C[C@@H](O)C3)c2c1 ZINC000599174448 346473139 /nfs/dbraw/zinc/47/31/39/346473139.db2.gz OOAUIAHTQVGWAK-WVSHTKLVSA-N 1 2 273.292 2.326 20 5 CEBDLO CC(C)(CNc1ncc([N+](=O)[O-])cc1F)n1cc[nH+]c1 ZINC000601197505 346784527 /nfs/dbraw/zinc/78/45/27/346784527.db2.gz BUYKWTJCLSEBKP-UHFFFAOYSA-N 1 2 279.275 2.173 20 5 CEBDLO O=[N+]([O-])c1ccc(OC(F)F)c(CNCc2[nH]cc[nH+]2)c1 ZINC000610150882 347661957 /nfs/dbraw/zinc/66/19/57/347661957.db2.gz FSNYUCIRZVFGQS-UHFFFAOYSA-N 1 2 298.249 2.209 20 5 CEBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]Cc2ncc[nH]2)c1 ZINC000610150882 347661960 /nfs/dbraw/zinc/66/19/60/347661960.db2.gz FSNYUCIRZVFGQS-UHFFFAOYSA-N 1 2 298.249 2.209 20 5 CEBDLO O=[N+]([O-])c1ncccc1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609132693 347626804 /nfs/dbraw/zinc/62/68/04/347626804.db2.gz CCVNPICBBISEHA-LLVKDONJSA-N 1 2 273.296 2.028 20 5 CEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2CCC[C@@H]21 ZINC000610585511 347693956 /nfs/dbraw/zinc/69/39/56/347693956.db2.gz RNERTACHLQEUSD-MDZLAQPJSA-N 1 2 289.335 2.406 20 5 CEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CCC[C@@H]21 ZINC000610585511 347693960 /nfs/dbraw/zinc/69/39/60/347693960.db2.gz RNERTACHLQEUSD-MDZLAQPJSA-N 1 2 289.335 2.406 20 5 CEBDLO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)C[C@H]1C ZINC000611088095 347738127 /nfs/dbraw/zinc/73/81/27/347738127.db2.gz CKWZBZUNDXXRCZ-SECBINFHSA-N 1 2 297.380 2.131 20 5 CEBDLO CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)C[C@H]1C ZINC000611088095 347738132 /nfs/dbraw/zinc/73/81/32/347738132.db2.gz CKWZBZUNDXXRCZ-SECBINFHSA-N 1 2 297.380 2.131 20 5 CEBDLO CN(C)c1cc[nH+]c(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000612347135 347872306 /nfs/dbraw/zinc/87/23/06/347872306.db2.gz UGZBFYNNBHDTKK-UHFFFAOYSA-N 1 2 286.291 2.308 20 5 CEBDLO O=[N+]([O-])c1c(F)cccc1NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000066745630 362883147 /nfs/dbraw/zinc/88/31/47/362883147.db2.gz NQGCQFYBSAUFMY-LLVKDONJSA-N 1 2 295.314 2.009 20 5 CEBDLO O=[N+]([O-])c1c(F)cccc1NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000066745630 362883152 /nfs/dbraw/zinc/88/31/52/362883152.db2.gz NQGCQFYBSAUFMY-LLVKDONJSA-N 1 2 295.314 2.009 20 5 CEBDLO CC[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000339507824 215219610 /nfs/dbraw/zinc/21/96/10/215219610.db2.gz FYFPRDLFSZPBLG-TZMCWYRMSA-N 1 2 280.324 2.348 20 5 CEBDLO Cc1c[nH+]ccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000107285936 186165719 /nfs/dbraw/zinc/16/57/19/186165719.db2.gz KLQNCXAEWKVVDK-UHFFFAOYSA-N 1 2 271.276 2.479 20 5 CEBDLO O=C(Nc1cc[nH+]cc1O)c1ccc([N+](=O)[O-])s1 ZINC000109891050 186278636 /nfs/dbraw/zinc/27/86/36/186278636.db2.gz GSJVVYHJJXGSAD-UHFFFAOYSA-N 1 2 265.250 2.009 20 5 CEBDLO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CCCOC1 ZINC000352229830 219374582 /nfs/dbraw/zinc/37/45/82/219374582.db2.gz GJGPGWNNTIUUHP-SECBINFHSA-N 1 2 286.278 2.484 20 5 CEBDLO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CCCOC1 ZINC000352229830 219374584 /nfs/dbraw/zinc/37/45/84/219374584.db2.gz GJGPGWNNTIUUHP-SECBINFHSA-N 1 2 286.278 2.484 20 5 CEBDLO CCc1nn(C)c(N[C@@H]2C[C@H](C)n3cc[nH+]c32)c1[N+](=O)[O-] ZINC000450835697 282794257 /nfs/dbraw/zinc/79/42/57/282794257.db2.gz XQKLTLSQODKUCR-WCBMZHEXSA-N 1 2 290.327 2.205 20 5 CEBDLO O=C(N[C@H]1CC12CC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000424986674 540367804 /nfs/dbraw/zinc/36/78/04/540367804.db2.gz NHWRMRMAVLHGBI-ZDUSSCGKSA-N 1 2 298.302 2.063 20 5 CEBDLO Cn1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000148104187 366580441 /nfs/dbraw/zinc/58/04/41/366580441.db2.gz IWHPKAIERVFSIB-UHFFFAOYSA-N 1 2 280.715 2.272 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000339010437 366613069 /nfs/dbraw/zinc/61/30/69/366613069.db2.gz BNVMWZMLLXNBIA-RISCZKNCSA-N 1 2 292.335 2.301 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000339010437 366613075 /nfs/dbraw/zinc/61/30/75/366613075.db2.gz BNVMWZMLLXNBIA-RISCZKNCSA-N 1 2 292.335 2.301 20 5 CEBDLO C[C@H]1CC[C@](CO)([N@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339100304 366654145 /nfs/dbraw/zinc/65/41/45/366654145.db2.gz KIEYBDWJPSZHPQ-NHYWBVRUSA-N 1 2 294.351 2.283 20 5 CEBDLO C[C@H]1CC[C@](CO)([N@@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339100304 366654150 /nfs/dbraw/zinc/65/41/50/366654150.db2.gz KIEYBDWJPSZHPQ-NHYWBVRUSA-N 1 2 294.351 2.283 20 5 CEBDLO CC(=O)c1ccc(NCCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000298196459 200357765 /nfs/dbraw/zinc/35/77/65/200357765.db2.gz FFBITXCCBDMHQA-UHFFFAOYSA-N 1 2 288.307 2.496 20 5 CEBDLO Cc1cc(N2CCC[C@H]2Cn2cc[nH+]c2)ncc1[N+](=O)[O-] ZINC000301563422 201072162 /nfs/dbraw/zinc/07/21/62/201072162.db2.gz PFCOVTIJUPGADE-LBPRGKRZSA-N 1 2 287.323 2.164 20 5 CEBDLO CC(=O)c1cc(N(C)Cc2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000342411655 216343824 /nfs/dbraw/zinc/34/38/24/216343824.db2.gz HPLFBJZGNMORGJ-UHFFFAOYSA-N 1 2 274.280 2.157 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1[nH]cc[nH+]1 ZINC000120840724 365482845 /nfs/dbraw/zinc/48/28/45/365482845.db2.gz FDDPPIODROKCPL-UHFFFAOYSA-N 1 2 289.295 2.256 20 5 CEBDLO COc1cc[nH+]cc1COc1ccc([N+](=O)[O-])c(CO)c1 ZINC000341277642 367263311 /nfs/dbraw/zinc/26/33/11/367263311.db2.gz MFWFBSBISUBBPE-UHFFFAOYSA-N 1 2 290.275 2.070 20 5 CEBDLO COC(=O)[C@]1(C)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000186335707 368958695 /nfs/dbraw/zinc/95/86/95/368958695.db2.gz HHXXPCOQSSBNJO-AWEZNQCLSA-N 1 2 278.308 2.122 20 5 CEBDLO COC(=O)[C@]1(C)CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000186335707 368958698 /nfs/dbraw/zinc/95/86/98/368958698.db2.gz HHXXPCOQSSBNJO-AWEZNQCLSA-N 1 2 278.308 2.122 20 5 CEBDLO Cc1cnc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])n1C ZINC000348678998 369119994 /nfs/dbraw/zinc/11/99/94/369119994.db2.gz YLPFMTUDVHHELB-UHFFFAOYSA-N 1 2 288.351 2.311 20 5 CEBDLO Cc1cnc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])n1C ZINC000348678998 369119998 /nfs/dbraw/zinc/11/99/98/369119998.db2.gz YLPFMTUDVHHELB-UHFFFAOYSA-N 1 2 288.351 2.311 20 5 CEBDLO Cc1c[nH+]c(CN(C)CCc2ccccc2[N+](=O)[O-])n1C ZINC000348678998 369120002 /nfs/dbraw/zinc/12/00/02/369120002.db2.gz YLPFMTUDVHHELB-UHFFFAOYSA-N 1 2 288.351 2.311 20 5 CEBDLO Cc1c([C@@H](C)[NH2+][C@@H](C)c2ncnn2C)cccc1[N+](=O)[O-] ZINC000276535305 193371974 /nfs/dbraw/zinc/37/19/74/193371974.db2.gz DCHPVQSRIAKKRB-MNOVXSKESA-N 1 2 289.339 2.444 20 5 CEBDLO Cc1nocc1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000353226043 370083801 /nfs/dbraw/zinc/08/38/01/370083801.db2.gz FFLWPMWKYVYEDV-UHFFFAOYSA-N 1 2 287.279 2.057 20 5 CEBDLO CC1=CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000270395601 372769910 /nfs/dbraw/zinc/76/99/10/372769910.db2.gz YVKCRRZHVWZWFD-UHFFFAOYSA-N 1 2 275.308 2.185 20 5 CEBDLO CC1=CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000270395601 372769920 /nfs/dbraw/zinc/76/99/20/372769920.db2.gz YVKCRRZHVWZWFD-UHFFFAOYSA-N 1 2 275.308 2.185 20 5 CEBDLO NC(=O)C[N@H+](Cc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000353585478 220175091 /nfs/dbraw/zinc/17/50/91/220175091.db2.gz TVXQFVCWKAMZFN-UHFFFAOYSA-N 1 2 299.330 2.082 20 5 CEBDLO NC(=O)C[N@@H+](Cc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000353585478 220175093 /nfs/dbraw/zinc/17/50/93/220175093.db2.gz TVXQFVCWKAMZFN-UHFFFAOYSA-N 1 2 299.330 2.082 20 5 CEBDLO CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000274971063 374109561 /nfs/dbraw/zinc/10/95/61/374109561.db2.gz IBNPULGTHZJNGW-VIFPVBQESA-N 1 2 295.339 2.406 20 5 CEBDLO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ncnn1C ZINC000276725788 374280411 /nfs/dbraw/zinc/28/04/11/374280411.db2.gz XWYQYUQKJTZQPO-UWVGGRQHSA-N 1 2 275.312 2.135 20 5 CEBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000277033744 374385030 /nfs/dbraw/zinc/38/50/30/374385030.db2.gz BHQFPJAJUUWVPX-HTGLOVNISA-N 1 2 296.392 2.499 20 5 CEBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000277033744 374385033 /nfs/dbraw/zinc/38/50/33/374385033.db2.gz BHQFPJAJUUWVPX-HTGLOVNISA-N 1 2 296.392 2.499 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000277353154 374489708 /nfs/dbraw/zinc/48/97/08/374489708.db2.gz DNBITNQWEVGUEA-MPBGBICISA-N 1 2 296.392 2.246 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000277353154 374489714 /nfs/dbraw/zinc/48/97/14/374489714.db2.gz DNBITNQWEVGUEA-MPBGBICISA-N 1 2 296.392 2.246 20 5 CEBDLO Cc1nnsc1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000384251878 375209003 /nfs/dbraw/zinc/20/90/03/375209003.db2.gz MPDIOWQEKWAJEP-UHFFFAOYSA-N 1 2 270.339 2.106 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@H]3CCC[C@H]32)cc1 ZINC000281322840 375371739 /nfs/dbraw/zinc/37/17/39/375371739.db2.gz YFAMDEJIHNFSJQ-KGLIPLIRSA-N 1 2 262.309 2.348 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@H]3CCC[C@H]32)cc1 ZINC000281322840 375371744 /nfs/dbraw/zinc/37/17/44/375371744.db2.gz YFAMDEJIHNFSJQ-KGLIPLIRSA-N 1 2 262.309 2.348 20 5 CEBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185158342 296234462 /nfs/dbraw/zinc/23/44/62/296234462.db2.gz WPOPPTWWQIQRQV-SWLSCSKDSA-N 1 2 292.335 2.147 20 5 CEBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000185158342 296234463 /nfs/dbraw/zinc/23/44/63/296234463.db2.gz WPOPPTWWQIQRQV-SWLSCSKDSA-N 1 2 292.335 2.147 20 5 CEBDLO Cc1c(C[N@@H+]2CCC[C@@](F)(CO)C2)cccc1[N+](=O)[O-] ZINC000287031879 376133533 /nfs/dbraw/zinc/13/35/33/376133533.db2.gz SLTFJFVICNKUAS-AWEZNQCLSA-N 1 2 282.315 2.200 20 5 CEBDLO Cc1c(C[N@H+]2CCC[C@@](F)(CO)C2)cccc1[N+](=O)[O-] ZINC000287031879 376133539 /nfs/dbraw/zinc/13/35/39/376133539.db2.gz SLTFJFVICNKUAS-AWEZNQCLSA-N 1 2 282.315 2.200 20 5 CEBDLO CCn1c(C)nc([N+](=O)[O-])c1Nc1ccc(N(C)C)[nH+]c1 ZINC000288003996 376358689 /nfs/dbraw/zinc/35/86/89/376358689.db2.gz AZLFKTIYJBBIJF-UHFFFAOYSA-N 1 2 290.327 2.324 20 5 CEBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@]23CCOC3)cs1 ZINC000421008545 376784329 /nfs/dbraw/zinc/78/43/29/376784329.db2.gz BAWWJBATUPYZEU-NSHDSACASA-N 1 2 254.311 2.021 20 5 CEBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@]23CCOC3)cs1 ZINC000421008545 376784333 /nfs/dbraw/zinc/78/43/33/376784333.db2.gz BAWWJBATUPYZEU-NSHDSACASA-N 1 2 254.311 2.021 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1N1CCn2c[nH+]cc2C1 ZINC000290769239 376915229 /nfs/dbraw/zinc/91/52/29/376915229.db2.gz VFHGFTFVPZVZRK-UHFFFAOYSA-N 1 2 258.281 2.120 20 5 CEBDLO CCn1cc[nH+]c1CNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000295724875 378279344 /nfs/dbraw/zinc/27/93/44/378279344.db2.gz LAMKWAGGFGHTHP-UHFFFAOYSA-N 1 2 288.307 2.050 20 5 CEBDLO CCn1cc[nH+]c1[C@H](C)Nc1ccc([N+](=O)[O-])nc1 ZINC000450824566 378597448 /nfs/dbraw/zinc/59/74/48/378597448.db2.gz DDZXIMOMGQHFSI-VIFPVBQESA-N 1 2 261.285 2.379 20 5 CEBDLO C[C@H]1C[C@@H](Nc2ncccc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000450835342 378605798 /nfs/dbraw/zinc/60/57/98/378605798.db2.gz WXHCEWGCQSYUFP-DTWKUNHWSA-N 1 2 259.269 2.304 20 5 CEBDLO C[C@H](Nc1cccc(F)c1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000301202420 379217793 /nfs/dbraw/zinc/21/77/93/379217793.db2.gz QAZFZEFJCZOMHV-QWRGUYRKSA-N 1 2 297.330 2.255 20 5 CEBDLO C[C@@H](Nc1cccc(F)c1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000301202419 379218002 /nfs/dbraw/zinc/21/80/02/379218002.db2.gz QAZFZEFJCZOMHV-MNOVXSKESA-N 1 2 297.330 2.255 20 5 CEBDLO O=[N+]([O-])c1ccc(F)cc1NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000302788874 379452131 /nfs/dbraw/zinc/45/21/31/379452131.db2.gz DFSUKNIDCCEMHJ-GFCCVEGCSA-N 1 2 295.314 2.009 20 5 CEBDLO O=[N+]([O-])c1ccc(F)cc1NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000302788874 379452137 /nfs/dbraw/zinc/45/21/37/379452137.db2.gz DFSUKNIDCCEMHJ-GFCCVEGCSA-N 1 2 295.314 2.009 20 5 CEBDLO COC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000266981012 190294789 /nfs/dbraw/zinc/29/47/89/190294789.db2.gz ABJNJTJNHKTCFU-UHFFFAOYSA-N 1 2 296.298 2.119 20 5 CEBDLO Cc1c(NC(=O)C=Cc2c[nH]c[nH+]2)cccc1[N+](=O)[O-] ZINC000492901449 380723246 /nfs/dbraw/zinc/72/32/46/380723246.db2.gz PHOHJQFCKMKAIT-AATRIKPKSA-N 1 2 272.264 2.278 20 5 CEBDLO Cc1ccsc1C[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355660705 394492295 /nfs/dbraw/zinc/49/22/95/394492295.db2.gz OUIDQPKFCWDIMV-UHFFFAOYSA-N 1 2 280.353 2.330 20 5 CEBDLO Cc1ccsc1C[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355660705 394492299 /nfs/dbraw/zinc/49/22/99/394492299.db2.gz OUIDQPKFCWDIMV-UHFFFAOYSA-N 1 2 280.353 2.330 20 5 CEBDLO C[C@H]1C[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CCCO1 ZINC000285858972 394974596 /nfs/dbraw/zinc/97/45/96/394974596.db2.gz DHISMOYGIOIGBP-VIFPVBQESA-N 1 2 286.278 2.484 20 5 CEBDLO C[C@H]1C[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CCCO1 ZINC000285858972 394974597 /nfs/dbraw/zinc/97/45/97/394974597.db2.gz DHISMOYGIOIGBP-VIFPVBQESA-N 1 2 286.278 2.484 20 5 CEBDLO CCn1cnnc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000158417145 395044652 /nfs/dbraw/zinc/04/46/52/395044652.db2.gz WLLZTLOJCZFIIZ-LLVKDONJSA-N 1 2 289.339 2.365 20 5 CEBDLO O=[N+]([O-])c1ccc(CN2CCn3c[nH+]cc3C2)c(Cl)c1 ZINC000291550775 395133730 /nfs/dbraw/zinc/13/37/30/395133730.db2.gz MGCQEHFCJMLQPP-UHFFFAOYSA-N 1 2 292.726 2.461 20 5 CEBDLO O=C(Nc1ccn2cc[nH+]c2c1)c1ccc([N+](=O)[O-])cc1 ZINC000355288863 395399524 /nfs/dbraw/zinc/39/95/24/395399524.db2.gz KQLAMMQHCWPGEV-UHFFFAOYSA-N 1 2 282.259 2.495 20 5 CEBDLO Cc1cc(CNc2cc(C)c([N+](=O)[O-])cn2)cc(C)[nH+]1 ZINC000420648873 395402082 /nfs/dbraw/zinc/40/20/82/395402082.db2.gz FDXJSUHZSPVVRA-UHFFFAOYSA-N 1 2 272.308 2.344 20 5 CEBDLO CC(C)N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448659712 395528156 /nfs/dbraw/zinc/52/81/56/395528156.db2.gz WMZAMCYXJLRFCI-UHFFFAOYSA-N 1 2 288.307 2.261 20 5 CEBDLO C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000339086577 287040045 /nfs/dbraw/zinc/04/00/45/287040045.db2.gz RZVUUEZOBADYBV-MNOVXSKESA-N 1 2 280.324 2.205 20 5 CEBDLO CO[C@H]1C[C@@H]([N@H+](C)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285375375 196264992 /nfs/dbraw/zinc/26/49/92/196264992.db2.gz MVIHNMMZLGWHKR-WAAGHKOSSA-N 1 2 286.278 2.482 20 5 CEBDLO CO[C@H]1C[C@@H]([N@@H+](C)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285375375 196264993 /nfs/dbraw/zinc/26/49/93/196264993.db2.gz MVIHNMMZLGWHKR-WAAGHKOSSA-N 1 2 286.278 2.482 20 5 CEBDLO O=[N+]([O-])c1ccc(NCCCCn2cc[nH+]c2)nc1 ZINC000045108226 175309072 /nfs/dbraw/zinc/30/90/72/175309072.db2.gz LSUJWLBAHQBCIU-UHFFFAOYSA-N 1 2 261.285 2.079 20 5 CEBDLO Cc1cc(C)c(CNc2ncc([N+](=O)[O-])s2)c[nH+]1 ZINC000396972901 270350729 /nfs/dbraw/zinc/35/07/29/270350729.db2.gz HVKWMOHSZGCEDJ-UHFFFAOYSA-N 1 2 264.310 2.097 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCOC(C)(C)C1 ZINC000430220880 271364927 /nfs/dbraw/zinc/36/49/27/271364927.db2.gz QLOQGPWFBUOCSF-UHFFFAOYSA-N 1 2 280.324 2.214 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCOC(C)(C)C1 ZINC000430220880 271364931 /nfs/dbraw/zinc/36/49/31/271364931.db2.gz QLOQGPWFBUOCSF-UHFFFAOYSA-N 1 2 280.324 2.214 20 5 CEBDLO COC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000183245529 277345506 /nfs/dbraw/zinc/34/55/06/277345506.db2.gz OBKBYRDONPEBBR-AWEZNQCLSA-N 1 2 292.335 2.431 20 5 CEBDLO COC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000183245529 277345507 /nfs/dbraw/zinc/34/55/07/277345507.db2.gz OBKBYRDONPEBBR-AWEZNQCLSA-N 1 2 292.335 2.431 20 5 CEBDLO Cc1c[nH+]ccc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000107288230 281669401 /nfs/dbraw/zinc/66/94/01/281669401.db2.gz RWYNBDVYVKAIEI-UHFFFAOYSA-N 1 2 297.274 2.427 20 5 CEBDLO Cc1[nH]c2ccc(NC(=O)c3ccc([N+](=O)[O-])cn3)cc2[nH+]1 ZINC000531930431 298126360 /nfs/dbraw/zinc/12/63/60/298126360.db2.gz MDJUJQZLUIDNLT-UHFFFAOYSA-N 1 2 297.274 2.427 20 5 CEBDLO C[C@@H]1C[C@@H](C)[NH+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000548426359 298410652 /nfs/dbraw/zinc/41/06/52/298410652.db2.gz VKJHMKRERGUGEM-RKDXNWHRSA-N 1 2 260.297 2.454 20 5 CEBDLO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)Nc1c[nH]c[nH+]1 ZINC000564537077 298832662 /nfs/dbraw/zinc/83/26/62/298832662.db2.gz PAKUIWKKVYHAIB-SECBINFHSA-N 1 2 289.295 2.147 20 5 CEBDLO Cc1ccc(NCC[N@@H+]2CCO[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000531332765 313321894 /nfs/dbraw/zinc/32/18/94/313321894.db2.gz GBSIDQVZQUIRMZ-GFCCVEGCSA-N 1 2 279.340 2.036 20 5 CEBDLO Cc1ccc(NCC[N@H+]2CCO[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000531332765 313321895 /nfs/dbraw/zinc/32/18/95/313321895.db2.gz GBSIDQVZQUIRMZ-GFCCVEGCSA-N 1 2 279.340 2.036 20 5 CEBDLO CCn1c[nH+]cc1CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000573905415 314180760 /nfs/dbraw/zinc/18/07/60/314180760.db2.gz OMYDVCBDJXSGLI-UHFFFAOYSA-N 1 2 286.335 2.370 20 5 CEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC[C@@](F)(CO)C3)c2c1 ZINC000413290919 534885373 /nfs/dbraw/zinc/88/53/73/534885373.db2.gz LMPLCETYRLUNLZ-AWEZNQCLSA-N 1 2 291.282 2.054 20 5 CEBDLO Nc1ccc(C(=O)Nc2ccc3[nH+]ccn3c2)cc1[N+](=O)[O-] ZINC000733966527 574695692 /nfs/dbraw/zinc/69/56/92/574695692.db2.gz BUMKRPOFSBUWOK-UHFFFAOYSA-N 1 2 297.274 2.077 20 5 CEBDLO O=[N+]([O-])CC[NH2+]Cc1cc(F)c(F)cc1Br ZINC000905254966 636176841 /nfs/dbraw/zinc/17/68/41/636176841.db2.gz CGGQPAQUBHRIAB-UHFFFAOYSA-N 1 2 295.083 2.094 20 5 CEBDLO Cc1nn(C[NH+]2CCC3(CC3(F)F)CC2)cc1[N+](=O)[O-] ZINC000844729887 640820441 /nfs/dbraw/zinc/82/04/41/640820441.db2.gz WCTGCBYLBKOEKG-UHFFFAOYSA-N 1 2 286.282 2.178 20 5 CEBDLO CC[C@@H]([NH2+]Cc1cnn(CC)n1)c1cccc([N+](=O)[O-])c1 ZINC000838970075 644102143 /nfs/dbraw/zinc/10/21/43/644102143.db2.gz ZOQVBNUBTJCLDU-CQSZACIVSA-N 1 2 289.339 2.447 20 5 CEBDLO Cc1nonc1C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000809744309 645107517 /nfs/dbraw/zinc/10/75/17/645107517.db2.gz FNAWJBXOJMCECC-GQCTYLIASA-N 1 2 274.280 2.089 20 5 CEBDLO C[C@@H]1CCOCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000775569077 646966648 /nfs/dbraw/zinc/96/66/48/646966648.db2.gz ZOGKRRDRAMVYAG-SECBINFHSA-N 1 2 256.327 2.267 20 5 CEBDLO C[C@@H]1CCOCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000775569077 646966649 /nfs/dbraw/zinc/96/66/49/646966649.db2.gz ZOGKRRDRAMVYAG-SECBINFHSA-N 1 2 256.327 2.267 20 5 CEBDLO C[N@@H+](Cc1cscn1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776276569 647044977 /nfs/dbraw/zinc/04/49/77/647044977.db2.gz JUIJNBPMWDDGPZ-CYBMUJFWSA-N 1 2 293.348 2.217 20 5 CEBDLO C[N@H+](Cc1cscn1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776276569 647044978 /nfs/dbraw/zinc/04/49/78/647044978.db2.gz JUIJNBPMWDDGPZ-CYBMUJFWSA-N 1 2 293.348 2.217 20 5 CEBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782612141 647644007 /nfs/dbraw/zinc/64/40/07/647644007.db2.gz ALNCBBVWLRIRSW-MFKMUULPSA-N 1 2 282.727 2.062 20 5 CEBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782612141 647644009 /nfs/dbraw/zinc/64/40/09/647644009.db2.gz ALNCBBVWLRIRSW-MFKMUULPSA-N 1 2 282.727 2.062 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)OCc1cc[nH+]c(N)c1 ZINC000791825769 648571947 /nfs/dbraw/zinc/57/19/47/648571947.db2.gz MLZXGHAJSVGUMF-UHFFFAOYSA-N 1 2 287.275 2.237 20 5 CEBDLO CCO[C@@H]1C[C@H]([N@H+](C)Cn2nccc2[N+](=O)[O-])C12CCC2 ZINC000127253300 651151109 /nfs/dbraw/zinc/15/11/09/651151109.db2.gz FQGIVYYRLAWCSY-NWDGAFQWSA-N 1 2 294.355 2.028 20 5 CEBDLO CCO[C@@H]1C[C@H]([N@@H+](C)Cn2nccc2[N+](=O)[O-])C12CCC2 ZINC000127253300 651151111 /nfs/dbraw/zinc/15/11/11/651151111.db2.gz FQGIVYYRLAWCSY-NWDGAFQWSA-N 1 2 294.355 2.028 20 5 CEBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2nccn2C2CC2)cc1 ZINC000711816624 810096757 /nfs/dbraw/zinc/09/67/57/810096757.db2.gz JFAADUHPXQROJL-UHFFFAOYSA-N 1 2 272.308 2.416 20 5 CEBDLO CC[C@@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC001173209258 815635302 /nfs/dbraw/zinc/63/53/02/815635302.db2.gz AWMKGMGGGVRDKH-GXFFZTMASA-N 1 2 280.324 2.067 20 5 CEBDLO COc1ccc(Nc2[nH+]cccc2N)cc1[N+](=O)[O-] ZINC001176360704 816400697 /nfs/dbraw/zinc/40/06/97/816400697.db2.gz VIHHGZRDIHZIBC-UHFFFAOYSA-N 1 2 260.253 2.324 20 5 CEBDLO Cc1cc([NH+](C)C)ccc1Nc1c([N+](=O)[O-])ncn1C ZINC000121519213 365578069 /nfs/dbraw/zinc/57/80/69/365578069.db2.gz XEISZFSUHRYRPP-UHFFFAOYSA-N 1 2 275.312 2.446 20 5 CEBDLO C[C@@H]([NH2+][C@@H](C)c1nncn1C)c1ccccc1[N+](=O)[O-] ZINC000037017121 361884127 /nfs/dbraw/zinc/88/41/27/361884127.db2.gz WHRMNNMLCDIVNK-ZJUUUORDSA-N 1 2 275.312 2.135 20 5 CEBDLO O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3cccc[nH+]3)C2)cn1 ZINC000338047327 214378339 /nfs/dbraw/zinc/37/83/39/214378339.db2.gz ZTCQZLWBYXMVDD-GFCCVEGCSA-N 1 2 285.307 2.076 20 5 CEBDLO CCc1c[nH+]ccc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000357599660 529502798 /nfs/dbraw/zinc/50/27/98/529502798.db2.gz WVMDNVGWTSQMOX-UHFFFAOYSA-N 1 2 271.276 2.226 20 5 CEBDLO COc1ccc(C[N@@H+]2CC[C@H](F)C2)cc1[N+](=O)[O-] ZINC000449390006 282213776 /nfs/dbraw/zinc/21/37/76/282213776.db2.gz USKWDLJCXCQWIG-JTQLQIEISA-N 1 2 254.261 2.147 20 5 CEBDLO COc1ccc(C[N@H+]2CC[C@H](F)C2)cc1[N+](=O)[O-] ZINC000449390006 282213777 /nfs/dbraw/zinc/21/37/77/282213777.db2.gz USKWDLJCXCQWIG-JTQLQIEISA-N 1 2 254.261 2.147 20 5 CEBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000051475065 343550623 /nfs/dbraw/zinc/55/06/23/343550623.db2.gz SBSYNUWAZMQRGP-NEPJUHHUSA-N 1 2 280.324 2.083 20 5 CEBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000051475065 343550627 /nfs/dbraw/zinc/55/06/27/343550627.db2.gz SBSYNUWAZMQRGP-NEPJUHHUSA-N 1 2 280.324 2.083 20 5 CEBDLO CC1(C)COCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000049981404 343540457 /nfs/dbraw/zinc/54/04/57/343540457.db2.gz IHBWIQJATKDQBB-UHFFFAOYSA-N 1 2 250.298 2.206 20 5 CEBDLO CC1(C)COCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000049981404 343540462 /nfs/dbraw/zinc/54/04/62/343540462.db2.gz IHBWIQJATKDQBB-UHFFFAOYSA-N 1 2 250.298 2.206 20 5 CEBDLO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000046783577 343503974 /nfs/dbraw/zinc/50/39/74/343503974.db2.gz KTACAJLEDKBCGJ-LLVKDONJSA-N 1 2 293.367 2.330 20 5 CEBDLO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000046783577 343503976 /nfs/dbraw/zinc/50/39/76/343503976.db2.gz KTACAJLEDKBCGJ-LLVKDONJSA-N 1 2 293.367 2.330 20 5 CEBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000081052499 344037857 /nfs/dbraw/zinc/03/78/57/344037857.db2.gz GWTWVFVXWGUQJG-NSHDSACASA-N 1 2 290.241 2.094 20 5 CEBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000081052499 344037859 /nfs/dbraw/zinc/03/78/59/344037859.db2.gz GWTWVFVXWGUQJG-NSHDSACASA-N 1 2 290.241 2.094 20 5 CEBDLO Cn1cc(C[N@H+](C)Cc2ccc(F)cc2)c([N+](=O)[O-])n1 ZINC000602435408 347031399 /nfs/dbraw/zinc/03/13/99/347031399.db2.gz SXQMEXWEHVRGJG-UHFFFAOYSA-N 1 2 278.287 2.099 20 5 CEBDLO Cn1cc(C[N@@H+](C)Cc2ccc(F)cc2)c([N+](=O)[O-])n1 ZINC000602435408 347031402 /nfs/dbraw/zinc/03/14/02/347031402.db2.gz SXQMEXWEHVRGJG-UHFFFAOYSA-N 1 2 278.287 2.099 20 5 CEBDLO Cc1cnc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)o1 ZINC000231650623 344575074 /nfs/dbraw/zinc/57/50/74/344575074.db2.gz JYFSAUHHJMTGKP-UHFFFAOYSA-N 1 2 261.281 2.489 20 5 CEBDLO CC(C)C[C@H](C[NH3+])CC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000232627871 344578477 /nfs/dbraw/zinc/57/84/77/344578477.db2.gz SAJCNYLXPBLBKT-JTQLQIEISA-N 1 2 295.339 2.250 20 5 CEBDLO COc1cc(NCc2[nH+]ccn2C)c([N+](=O)[O-])cc1C ZINC000312631952 344739310 /nfs/dbraw/zinc/73/93/10/344739310.db2.gz IROWJXNIIUNOSL-UHFFFAOYSA-N 1 2 276.296 2.257 20 5 CEBDLO COc1cccnc1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000449749801 282353270 /nfs/dbraw/zinc/35/32/70/282353270.db2.gz QOWDOPQTHZPHBD-UHFFFAOYSA-N 1 2 279.321 2.350 20 5 CEBDLO CCN(CC)c1ccc(Nc2ncc([N+](=O)[O-])cn2)c[nH+]1 ZINC000273216576 192077213 /nfs/dbraw/zinc/07/72/13/192077213.db2.gz UTJKXOJHUITLLM-UHFFFAOYSA-N 1 2 288.311 2.370 20 5 CEBDLO Cn1c[nH+]cc1Cc1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000350456073 344789129 /nfs/dbraw/zinc/78/91/29/344789129.db2.gz TYUSPEYKRUEUEC-UHFFFAOYSA-N 1 2 291.292 2.031 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000590169360 345119282 /nfs/dbraw/zinc/11/92/82/345119282.db2.gz XQGRWSLLNHLIRW-MRVPVSSYSA-N 1 2 272.251 2.387 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@H](C(F)F)C1 ZINC000590169360 345119284 /nfs/dbraw/zinc/11/92/84/345119284.db2.gz XQGRWSLLNHLIRW-MRVPVSSYSA-N 1 2 272.251 2.387 20 5 CEBDLO O=[N+]([O-])c1cnc(N2CCC(c3c[nH]c[nH+]3)CC2)c(F)c1 ZINC000591149331 345225099 /nfs/dbraw/zinc/22/50/99/345225099.db2.gz KZYGWSFLBVNCKF-UHFFFAOYSA-N 1 2 291.286 2.236 20 5 CEBDLO O=[N+]([O-])c1cnc(N2CCC(c3c[nH+]c[nH]3)CC2)c(F)c1 ZINC000591149331 345225101 /nfs/dbraw/zinc/22/51/01/345225101.db2.gz KZYGWSFLBVNCKF-UHFFFAOYSA-N 1 2 291.286 2.236 20 5 CEBDLO Cc1noc(C[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000595292350 345756033 /nfs/dbraw/zinc/75/60/33/345756033.db2.gz ZVRQSSBSXSEMKH-UHFFFAOYSA-N 1 2 273.292 2.450 20 5 CEBDLO Cc1noc(C[N@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000595292350 345756034 /nfs/dbraw/zinc/75/60/34/345756034.db2.gz ZVRQSSBSXSEMKH-UHFFFAOYSA-N 1 2 273.292 2.450 20 5 CEBDLO O=[N+]([O-])c1ccccc1C[NH2+]Cc1cc2n(n1)CCC2 ZINC000594925598 345704245 /nfs/dbraw/zinc/70/42/45/345704245.db2.gz OUSWYQOQZQDGJG-UHFFFAOYSA-N 1 2 272.308 2.027 20 5 CEBDLO C[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)c2ncnn21 ZINC000594957445 345716460 /nfs/dbraw/zinc/71/64/60/345716460.db2.gz PCMICIJDIHSCIK-QPUJVOFHSA-N 1 2 291.286 2.121 20 5 CEBDLO CC[C@@H]1C[N@H+](Cc2onc(C)c2[N+](=O)[O-])[C@H](CC)CO1 ZINC000595558703 345812756 /nfs/dbraw/zinc/81/27/56/345812756.db2.gz PJLKZKOURANUCD-GHMZBOCLSA-N 1 2 283.328 2.281 20 5 CEBDLO CC[C@@H]1C[N@@H+](Cc2onc(C)c2[N+](=O)[O-])[C@H](CC)CO1 ZINC000595558703 345812757 /nfs/dbraw/zinc/81/27/57/345812757.db2.gz PJLKZKOURANUCD-GHMZBOCLSA-N 1 2 283.328 2.281 20 5 CEBDLO CC[C@H]1C[N@H+](Cc2onc(C)c2[N+](=O)[O-])CCS1 ZINC000595334439 345763995 /nfs/dbraw/zinc/76/39/95/345763995.db2.gz OLIWDKUKDKVLKY-VIFPVBQESA-N 1 2 271.342 2.219 20 5 CEBDLO CC[C@H]1C[N@@H+](Cc2onc(C)c2[N+](=O)[O-])CCS1 ZINC000595334439 345763997 /nfs/dbraw/zinc/76/39/97/345763997.db2.gz OLIWDKUKDKVLKY-VIFPVBQESA-N 1 2 271.342 2.219 20 5 CEBDLO Cc1noc(C[NH+]2CCC(C(F)F)CC2)c1[N+](=O)[O-] ZINC000595355721 345767601 /nfs/dbraw/zinc/76/76/01/345767601.db2.gz WVMRBRSHMCKEKD-UHFFFAOYSA-N 1 2 275.255 2.368 20 5 CEBDLO C[C@@]12COC[C@@H]1C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C2 ZINC000595755664 345867555 /nfs/dbraw/zinc/86/75/55/345867555.db2.gz CJYXOVKDJXYVTN-LKFCYVNXSA-N 1 2 298.289 2.341 20 5 CEBDLO C[C@@]12COC[C@@H]1C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C2 ZINC000595755664 345867556 /nfs/dbraw/zinc/86/75/56/345867556.db2.gz CJYXOVKDJXYVTN-LKFCYVNXSA-N 1 2 298.289 2.341 20 5 CEBDLO C[N@H+](Cc1cnn2c1CCC2)Cc1ccccc1[N+](=O)[O-] ZINC000596980282 346111958 /nfs/dbraw/zinc/11/19/58/346111958.db2.gz YUKYBOLMCAAZNU-UHFFFAOYSA-N 1 2 286.335 2.370 20 5 CEBDLO C[N@@H+](Cc1cnn2c1CCC2)Cc1ccccc1[N+](=O)[O-] ZINC000596980282 346111959 /nfs/dbraw/zinc/11/19/59/346111959.db2.gz YUKYBOLMCAAZNU-UHFFFAOYSA-N 1 2 286.335 2.370 20 5 CEBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CC[C@](F)(CO)C1 ZINC000599073066 346456055 /nfs/dbraw/zinc/45/60/55/346456055.db2.gz CZJQBNUILIFDNJ-CQSZACIVSA-N 1 2 291.282 2.054 20 5 CEBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCO[C@H](CCF)C1 ZINC000599643334 346552585 /nfs/dbraw/zinc/55/25/85/346552585.db2.gz SGHGJIJJYKMTBJ-GFCCVEGCSA-N 1 2 298.314 2.034 20 5 CEBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCO[C@H](CCF)C1 ZINC000599643334 346552586 /nfs/dbraw/zinc/55/25/86/346552586.db2.gz SGHGJIJJYKMTBJ-GFCCVEGCSA-N 1 2 298.314 2.034 20 5 CEBDLO CC(C)(CNc1ccc([N+](=O)[O-])cn1)n1cc[nH+]c1 ZINC000601198109 346784244 /nfs/dbraw/zinc/78/42/44/346784244.db2.gz NEZUVCNRKOAKIC-UHFFFAOYSA-N 1 2 261.285 2.034 20 5 CEBDLO CC(C)(CNc1ncccc1[N+](=O)[O-])n1cc[nH+]c1 ZINC000601197543 346784292 /nfs/dbraw/zinc/78/42/92/346784292.db2.gz CZCHNHYGDBTDSK-UHFFFAOYSA-N 1 2 261.285 2.034 20 5 CEBDLO CC(C)(CNc1ncc([N+](=O)[O-])s1)n1cc[nH+]c1 ZINC000601198176 346784329 /nfs/dbraw/zinc/78/43/29/346784329.db2.gz PQPRMYWXTIABLT-UHFFFAOYSA-N 1 2 267.314 2.095 20 5 CEBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1Cc2cccc(F)c2C1 ZINC000602842463 347221427 /nfs/dbraw/zinc/22/14/27/347221427.db2.gz ZFKQBTQGKFKDIV-UHFFFAOYSA-N 1 2 290.298 2.255 20 5 CEBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1Cc2cccc(F)c2C1 ZINC000602842463 347221428 /nfs/dbraw/zinc/22/14/28/347221428.db2.gz ZFKQBTQGKFKDIV-UHFFFAOYSA-N 1 2 290.298 2.255 20 5 CEBDLO Cc1nc(NC(C)(C)c2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000603406280 347361562 /nfs/dbraw/zinc/36/15/62/347361562.db2.gz JGQUUERMDNQYQG-UHFFFAOYSA-N 1 2 261.285 2.369 20 5 CEBDLO COC[C@H]1CC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000339293777 215075439 /nfs/dbraw/zinc/07/54/39/215075439.db2.gz PKAOGKRTQBCBTJ-LLVKDONJSA-N 1 2 270.716 2.469 20 5 CEBDLO COC[C@H]1CC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000339293777 215075442 /nfs/dbraw/zinc/07/54/42/215075442.db2.gz PKAOGKRTQBCBTJ-LLVKDONJSA-N 1 2 270.716 2.469 20 5 CEBDLO O=[N+]([O-])c1cccnc1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609132874 347626743 /nfs/dbraw/zinc/62/67/43/347626743.db2.gz NVRDHCKXXDAFLM-NSHDSACASA-N 1 2 273.296 2.028 20 5 CEBDLO COCC[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C1CC1 ZINC000351852539 219226387 /nfs/dbraw/zinc/22/63/87/219226387.db2.gz AYTIOGXXLJVMOJ-UHFFFAOYSA-N 1 2 286.278 2.484 20 5 CEBDLO COCC[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C1CC1 ZINC000351852539 219226389 /nfs/dbraw/zinc/22/63/89/219226389.db2.gz AYTIOGXXLJVMOJ-UHFFFAOYSA-N 1 2 286.278 2.484 20 5 CEBDLO C[N@H+](Cc1cn[nH]c1)Cc1ccc([N+](=O)[O-])cc1F ZINC000610662138 347699582 /nfs/dbraw/zinc/69/95/82/347699582.db2.gz NCRSQIMISUWRHL-UHFFFAOYSA-N 1 2 264.260 2.089 20 5 CEBDLO C[N@@H+](Cc1cn[nH]c1)Cc1ccc([N+](=O)[O-])cc1F ZINC000610662138 347699586 /nfs/dbraw/zinc/69/95/86/347699586.db2.gz NCRSQIMISUWRHL-UHFFFAOYSA-N 1 2 264.260 2.089 20 5 CEBDLO COC(=O)[C@@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000066832863 362888466 /nfs/dbraw/zinc/88/84/66/362888466.db2.gz HXOPWAXDIGGLTD-SNVBAGLBSA-N 1 2 284.337 2.041 20 5 CEBDLO COC(=O)[C@@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000066832863 362888469 /nfs/dbraw/zinc/88/84/69/362888469.db2.gz HXOPWAXDIGGLTD-SNVBAGLBSA-N 1 2 284.337 2.041 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000273415325 192143108 /nfs/dbraw/zinc/14/31/08/192143108.db2.gz IMOGJFYHSKVRMO-JGRMJRGVSA-N 1 2 296.392 2.245 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000273415325 192143110 /nfs/dbraw/zinc/14/31/10/192143110.db2.gz IMOGJFYHSKVRMO-JGRMJRGVSA-N 1 2 296.392 2.245 20 5 CEBDLO C[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCCO1 ZINC000618279288 348917453 /nfs/dbraw/zinc/91/74/53/348917453.db2.gz OKVDUFFFNJTHJS-JTQLQIEISA-N 1 2 290.323 2.082 20 5 CEBDLO C[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCCO1 ZINC000618279288 348917454 /nfs/dbraw/zinc/91/74/54/348917454.db2.gz OKVDUFFFNJTHJS-JTQLQIEISA-N 1 2 290.323 2.082 20 5 CEBDLO COC1([C@H](C)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])CCC1 ZINC000412027513 233315607 /nfs/dbraw/zinc/31/56/07/233315607.db2.gz VPNXEGNNRKYDKU-JTQLQIEISA-N 1 2 280.324 2.348 20 5 CEBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3ccccn3)nc2c1 ZINC000352101900 219319624 /nfs/dbraw/zinc/31/96/24/219319624.db2.gz GPRLXPOPWOEBPG-UHFFFAOYSA-N 1 2 283.291 2.156 20 5 CEBDLO CCN(CC)C(=O)C[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000155116728 188184931 /nfs/dbraw/zinc/18/49/31/188184931.db2.gz UTWLQVXNEPBZKK-UHFFFAOYSA-N 1 2 293.367 2.203 20 5 CEBDLO CCN(CC)C(=O)C[N@@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000155116728 188184932 /nfs/dbraw/zinc/18/49/32/188184932.db2.gz UTWLQVXNEPBZKK-UHFFFAOYSA-N 1 2 293.367 2.203 20 5 CEBDLO CC[C@@H]1C(=O)N(CC)CC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000495193880 291023029 /nfs/dbraw/zinc/02/30/29/291023029.db2.gz LENZRVKUBKGVPL-CYBMUJFWSA-N 1 2 291.351 2.038 20 5 CEBDLO CC[C@@H]1C(=O)N(CC)CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000495193880 291023030 /nfs/dbraw/zinc/02/30/30/291023030.db2.gz LENZRVKUBKGVPL-CYBMUJFWSA-N 1 2 291.351 2.038 20 5 CEBDLO Cn1ccc(C[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000297300808 200140193 /nfs/dbraw/zinc/14/01/93/200140193.db2.gz BOPGMTLHZWBHTG-UHFFFAOYSA-N 1 2 287.319 2.197 20 5 CEBDLO CC[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000140554325 366561786 /nfs/dbraw/zinc/56/17/86/366561786.db2.gz JOWSSMSLYDQZOX-LBPRGKRZSA-N 1 2 288.307 2.128 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H](CO)C1CCCCC1 ZINC000579381020 366639115 /nfs/dbraw/zinc/63/91/15/366639115.db2.gz RIJYXYHMSIDSEC-CQSZACIVSA-N 1 2 294.351 2.331 20 5 CEBDLO CC(C)(C)[C@H](CCO)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339074761 366642357 /nfs/dbraw/zinc/64/23/57/366642357.db2.gz HMRRNTMVDKZXLH-ZDUSSCGKSA-N 1 2 282.340 2.187 20 5 CEBDLO C[C@H](c1cnn(C)c1)[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339075538 366642673 /nfs/dbraw/zinc/64/26/73/366642673.db2.gz KBQVNTCRBWGEOU-SNVBAGLBSA-N 1 2 290.323 2.227 20 5 CEBDLO C[C@H](c1cnn(C)c1)[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339075538 366642676 /nfs/dbraw/zinc/64/26/76/366642676.db2.gz KBQVNTCRBWGEOU-SNVBAGLBSA-N 1 2 290.323 2.227 20 5 CEBDLO COCC1=CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000339091576 366649589 /nfs/dbraw/zinc/64/95/89/366649589.db2.gz WCXXDBPDMRDFAV-UHFFFAOYSA-N 1 2 278.308 2.079 20 5 CEBDLO COCC1=CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000339091576 366649591 /nfs/dbraw/zinc/64/95/91/366649591.db2.gz WCXXDBPDMRDFAV-UHFFFAOYSA-N 1 2 278.308 2.079 20 5 CEBDLO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(c2cccc(F)c2)CC1 ZINC000341855341 216127045 /nfs/dbraw/zinc/12/70/45/216127045.db2.gz LISZXZSFOBIYFR-UHFFFAOYSA-N 1 2 290.298 2.246 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@@H](C)[C@H]1C ZINC000339567887 366705637 /nfs/dbraw/zinc/70/56/37/366705637.db2.gz HRCBAUDLKJAYND-GHMZBOCLSA-N 1 2 277.324 2.182 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@@H](C)[C@H]1C ZINC000339567887 366705644 /nfs/dbraw/zinc/70/56/44/366705644.db2.gz HRCBAUDLKJAYND-GHMZBOCLSA-N 1 2 277.324 2.182 20 5 CEBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCOC[C@H]1C1CC1 ZINC000090010314 364035243 /nfs/dbraw/zinc/03/52/43/364035243.db2.gz AQXZQUZLHSWKGX-AWEZNQCLSA-N 1 2 292.335 2.084 20 5 CEBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCOC[C@H]1C1CC1 ZINC000090010314 364035246 /nfs/dbraw/zinc/03/52/46/364035246.db2.gz AQXZQUZLHSWKGX-AWEZNQCLSA-N 1 2 292.335 2.084 20 5 CEBDLO COC(=O)C[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC000093287070 364158453 /nfs/dbraw/zinc/15/84/53/364158453.db2.gz TVMSGOGVVVGSQN-UHFFFAOYSA-N 1 2 280.324 2.287 20 5 CEBDLO COC(=O)C[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC000093287070 364158455 /nfs/dbraw/zinc/15/84/55/364158455.db2.gz TVMSGOGVVVGSQN-UHFFFAOYSA-N 1 2 280.324 2.287 20 5 CEBDLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000340585657 366947101 /nfs/dbraw/zinc/94/71/01/366947101.db2.gz OZMBWIKWURHWRE-UHFFFAOYSA-N 1 2 297.274 2.361 20 5 CEBDLO C[C@H]([C@H](C)Nc1ccsc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000609192807 367223190 /nfs/dbraw/zinc/22/31/90/367223190.db2.gz LJDJHCJIZAKAAQ-VHSXEESVSA-N 1 2 285.369 2.177 20 5 CEBDLO COC[C@@H]1C[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000172884094 367834689 /nfs/dbraw/zinc/83/46/89/367834689.db2.gz WOLAZEPYNQPPRL-FZMZJTMJSA-N 1 2 280.324 2.003 20 5 CEBDLO COC[C@@H]1C[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000172884094 367834695 /nfs/dbraw/zinc/83/46/95/367834695.db2.gz WOLAZEPYNQPPRL-FZMZJTMJSA-N 1 2 280.324 2.003 20 5 CEBDLO Cc1cc(N(C)Cc2ccccc2[N+](=O)[O-])nc[nH+]1 ZINC000346604283 368731903 /nfs/dbraw/zinc/73/19/03/368731903.db2.gz MCZBNLUCXAVDLY-UHFFFAOYSA-N 1 2 258.281 2.330 20 5 CEBDLO COCC1=CC[N@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000185822811 368868013 /nfs/dbraw/zinc/86/80/13/368868013.db2.gz QIJXFGMJOZWTHZ-UHFFFAOYSA-N 1 2 268.338 2.435 20 5 CEBDLO COCC1=CC[N@@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000185822811 368868017 /nfs/dbraw/zinc/86/80/17/368868017.db2.gz QIJXFGMJOZWTHZ-UHFFFAOYSA-N 1 2 268.338 2.435 20 5 CEBDLO CC[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1c(C)noc1C ZINC000348139057 368915391 /nfs/dbraw/zinc/91/53/91/368915391.db2.gz VUWCUGYJDVEVGS-JTQLQIEISA-N 1 2 293.327 2.174 20 5 CEBDLO COc1cc(N[C@H](C)Cn2cc[nH+]c2)c(F)cc1[N+](=O)[O-] ZINC000227858051 370386084 /nfs/dbraw/zinc/38/60/84/370386084.db2.gz UNYARXOJQOSNLH-SECBINFHSA-N 1 2 294.286 2.440 20 5 CEBDLO CCOC(=O)C[N@H+](CC)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000254935549 371541946 /nfs/dbraw/zinc/54/19/46/371541946.db2.gz HJWYEHGRNFOWON-CLFYSBASSA-N 1 2 292.335 2.493 20 5 CEBDLO CCOC(=O)C[N@@H+](CC)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000254935549 371541950 /nfs/dbraw/zinc/54/19/50/371541950.db2.gz HJWYEHGRNFOWON-CLFYSBASSA-N 1 2 292.335 2.493 20 5 CEBDLO COC(=O)[C@@]1(F)CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000267665002 372078481 /nfs/dbraw/zinc/07/84/81/372078481.db2.gz NNZOJPIWLYALLN-IINYFYTJSA-N 1 2 296.298 2.243 20 5 CEBDLO COC(=O)[C@@]1(F)CC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000267665002 372078486 /nfs/dbraw/zinc/07/84/86/372078486.db2.gz NNZOJPIWLYALLN-IINYFYTJSA-N 1 2 296.298 2.243 20 5 CEBDLO Cc1cnc(N(C)CCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000268966885 372303567 /nfs/dbraw/zinc/30/35/67/372303567.db2.gz NCILYXZOJDRHSU-UHFFFAOYSA-N 1 2 275.312 2.021 20 5 CEBDLO CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000276618554 374237498 /nfs/dbraw/zinc/23/74/98/374237498.db2.gz NUWOLYBNAACLCX-LBPRGKRZSA-N 1 2 288.307 2.445 20 5 CEBDLO Cc1c(C[N@@H+]2CC[S@@](=O)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000277534591 374557036 /nfs/dbraw/zinc/55/70/36/374557036.db2.gz RRHCDRKHJPRLJS-BIBXISHDSA-N 1 2 296.392 2.104 20 5 CEBDLO Cc1c(C[N@H+]2CC[S@@](=O)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000277534591 374557039 /nfs/dbraw/zinc/55/70/39/374557039.db2.gz RRHCDRKHJPRLJS-BIBXISHDSA-N 1 2 296.392 2.104 20 5 CEBDLO Cc1c(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)cccc1[N+](=O)[O-] ZINC000377893321 374975769 /nfs/dbraw/zinc/97/57/69/374975769.db2.gz GJDRMTWDOCNWHM-BETUJISGSA-N 1 2 262.309 2.266 20 5 CEBDLO Cc1c(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cccc1[N+](=O)[O-] ZINC000377893321 374975773 /nfs/dbraw/zinc/97/57/73/374975773.db2.gz GJDRMTWDOCNWHM-BETUJISGSA-N 1 2 262.309 2.266 20 5 CEBDLO Cn1c[nH+]cc1CNc1ccnc2c1cccc2[N+](=O)[O-] ZINC000388390229 375291046 /nfs/dbraw/zinc/29/10/46/375291046.db2.gz BMSCLBFRUSYGRA-UHFFFAOYSA-N 1 2 283.291 2.489 20 5 CEBDLO Cc1sc(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000408071416 375401246 /nfs/dbraw/zinc/40/12/46/375401246.db2.gz PNBGDSGVOZMNLK-BDAKNGLRSA-N 1 2 297.380 2.129 20 5 CEBDLO Cc1sc(C(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000408071416 375401254 /nfs/dbraw/zinc/40/12/54/375401254.db2.gz PNBGDSGVOZMNLK-BDAKNGLRSA-N 1 2 297.380 2.129 20 5 CEBDLO CCOCC[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000284152168 375818162 /nfs/dbraw/zinc/81/81/62/375818162.db2.gz QOWGEOWISLLIGD-UHFFFAOYSA-N 1 2 274.267 2.341 20 5 CEBDLO CCOCC[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000284152168 375818167 /nfs/dbraw/zinc/81/81/67/375818167.db2.gz QOWGEOWISLLIGD-UHFFFAOYSA-N 1 2 274.267 2.341 20 5 CEBDLO O=[N+]([O-])c1cccc(F)c1NCCCn1cc[nH+]c1 ZINC000286997619 376124059 /nfs/dbraw/zinc/12/40/59/376124059.db2.gz OVZWEALZJITULB-UHFFFAOYSA-N 1 2 264.260 2.433 20 5 CEBDLO CO[C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000330436725 377132992 /nfs/dbraw/zinc/13/29/92/377132992.db2.gz BLBXQUZIWWBDRB-ZWNOBZJWSA-N 1 2 280.324 2.300 20 5 CEBDLO CO[C@@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000330436725 377133000 /nfs/dbraw/zinc/13/30/00/377133000.db2.gz BLBXQUZIWWBDRB-ZWNOBZJWSA-N 1 2 280.324 2.300 20 5 CEBDLO NC(=O)C1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000330447213 377136919 /nfs/dbraw/zinc/13/69/19/377136919.db2.gz YGHYRGDMYVEROF-UHFFFAOYSA-N 1 2 279.296 2.048 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCCSCC1 ZINC000332205399 377541937 /nfs/dbraw/zinc/54/19/37/377541937.db2.gz DQTSGMPPCATWNO-UHFFFAOYSA-N 1 2 268.338 2.239 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCCSCC1 ZINC000332205399 377541945 /nfs/dbraw/zinc/54/19/45/377541945.db2.gz DQTSGMPPCATWNO-UHFFFAOYSA-N 1 2 268.338 2.239 20 5 CEBDLO O=[N+]([O-])c1ccc(N2CCC(c3c[nH]c[nH+]3)CC2)cn1 ZINC000450382649 378385898 /nfs/dbraw/zinc/38/58/98/378385898.db2.gz XBKFAKZFANHFNB-UHFFFAOYSA-N 1 2 273.296 2.097 20 5 CEBDLO O=[N+]([O-])c1ccc(N2CCC(c3c[nH+]c[nH]3)CC2)cn1 ZINC000450382649 378385900 /nfs/dbraw/zinc/38/59/00/378385900.db2.gz XBKFAKZFANHFNB-UHFFFAOYSA-N 1 2 273.296 2.097 20 5 CEBDLO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cn2)c2[nH+]ccn21 ZINC000450828828 378599561 /nfs/dbraw/zinc/59/95/61/378599561.db2.gz LEUXECGTQDTICU-WPRPVWTQSA-N 1 2 259.269 2.304 20 5 CEBDLO CC[N@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1ccccc1 ZINC000355655937 394490830 /nfs/dbraw/zinc/49/08/30/394490830.db2.gz JFGFUDRHSBSCDE-UHFFFAOYSA-N 1 2 274.324 2.350 20 5 CEBDLO CC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1ccccc1 ZINC000355655937 394490834 /nfs/dbraw/zinc/49/08/34/394490834.db2.gz JFGFUDRHSBSCDE-UHFFFAOYSA-N 1 2 274.324 2.350 20 5 CEBDLO O=[N+]([O-])c1ccccc1Cc1noc(CCn2cc[nH+]c2)n1 ZINC000355685177 394502172 /nfs/dbraw/zinc/50/21/72/394502172.db2.gz CFIWOUUIBLDBNM-UHFFFAOYSA-N 1 2 299.290 2.008 20 5 CEBDLO C[C@@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@@H]1O ZINC000413227856 394508381 /nfs/dbraw/zinc/50/83/81/394508381.db2.gz PQQNBYJVARWCBL-YGRLFVJLSA-N 1 2 287.319 2.350 20 5 CEBDLO CC[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448559309 395517352 /nfs/dbraw/zinc/51/73/52/395517352.db2.gz YOXXNTZTUJGWIM-SNVBAGLBSA-N 1 2 288.307 2.309 20 5 CEBDLO Cc1cc[nH+]cc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000359947747 155176664 /nfs/dbraw/zinc/17/66/64/155176664.db2.gz RWTPQEGAVBWJBZ-UHFFFAOYSA-N 1 2 299.334 2.020 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@H](C)[C@H]1C ZINC000156493772 286383952 /nfs/dbraw/zinc/38/39/52/286383952.db2.gz SHICXUWCSXIWAH-GHMZBOCLSA-N 1 2 280.324 2.213 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@H](C)[C@H]1C ZINC000156493772 286383954 /nfs/dbraw/zinc/38/39/54/286383954.db2.gz SHICXUWCSXIWAH-GHMZBOCLSA-N 1 2 280.324 2.213 20 5 CEBDLO C[C@@H]1CCN(c2ccc([N+](=O)[O-])cn2)C[C@H]1n1cc[nH+]c1 ZINC000268292843 154142962 /nfs/dbraw/zinc/14/29/62/154142962.db2.gz VEOQWSICBVWUFQ-DGCLKSJQSA-N 1 2 287.323 2.274 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000430195961 271361571 /nfs/dbraw/zinc/36/15/71/271361571.db2.gz PWKYIMVLRDAOPV-GHMZBOCLSA-N 1 2 280.324 2.213 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000430195961 271361573 /nfs/dbraw/zinc/36/15/73/271361573.db2.gz PWKYIMVLRDAOPV-GHMZBOCLSA-N 1 2 280.324 2.213 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@@H](C)[C@@H]1C ZINC000430217963 271363133 /nfs/dbraw/zinc/36/31/33/271363133.db2.gz MHQRSKWVTZIGKM-QWRGUYRKSA-N 1 2 280.324 2.213 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@@H](C)[C@@H]1C ZINC000430217963 271363136 /nfs/dbraw/zinc/36/31/36/271363136.db2.gz MHQRSKWVTZIGKM-QWRGUYRKSA-N 1 2 280.324 2.213 20 5 CEBDLO CC1(C)COCC[N@@H+]1CCNc1ccccc1[N+](=O)[O-] ZINC000170869539 278353513 /nfs/dbraw/zinc/35/35/13/278353513.db2.gz BVXKRPXAMMAYBZ-UHFFFAOYSA-N 1 2 279.340 2.118 20 5 CEBDLO CC1(C)COCC[N@H+]1CCNc1ccccc1[N+](=O)[O-] ZINC000170869539 278353515 /nfs/dbraw/zinc/35/35/15/278353515.db2.gz BVXKRPXAMMAYBZ-UHFFFAOYSA-N 1 2 279.340 2.118 20 5 CEBDLO CC[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@H](C)CO ZINC000339627793 279233414 /nfs/dbraw/zinc/23/34/14/279233414.db2.gz YCLHGQSDXLFZSM-SECBINFHSA-N 1 2 272.732 2.451 20 5 CEBDLO CC[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@H](C)CO ZINC000339627793 279233415 /nfs/dbraw/zinc/23/34/15/279233415.db2.gz YCLHGQSDXLFZSM-SECBINFHSA-N 1 2 272.732 2.451 20 5 CEBDLO CC[N@@H+](Cc1cnn(C)c1)Cc1csc([N+](=O)[O-])c1 ZINC000195518998 280205650 /nfs/dbraw/zinc/20/56/50/280205650.db2.gz HZAGSFWONDNWNW-UHFFFAOYSA-N 1 2 280.353 2.412 20 5 CEBDLO CC[N@H+](Cc1cnn(C)c1)Cc1csc([N+](=O)[O-])c1 ZINC000195518998 280205653 /nfs/dbraw/zinc/20/56/53/280205653.db2.gz HZAGSFWONDNWNW-UHFFFAOYSA-N 1 2 280.353 2.412 20 5 CEBDLO CCC[C@@H](C)[C@H](CO)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000570336076 314034036 /nfs/dbraw/zinc/03/40/36/314034036.db2.gz SFDWCIZYCMGHNW-MFKMUULPSA-N 1 2 282.340 2.187 20 5 CEBDLO Cc1nnc([C@@H]2CC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)[nH]1 ZINC000412025607 534577117 /nfs/dbraw/zinc/57/71/17/534577117.db2.gz HNGCQJDZKBLGMU-SNVBAGLBSA-N 1 2 293.352 2.072 20 5 CEBDLO Cc1nnc([C@@H]2CC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)[nH]1 ZINC000412025607 534577122 /nfs/dbraw/zinc/57/71/22/534577122.db2.gz HNGCQJDZKBLGMU-SNVBAGLBSA-N 1 2 293.352 2.072 20 5 CEBDLO Cc1n[nH]c([C@@H]2CC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)n1 ZINC000412025607 534577130 /nfs/dbraw/zinc/57/71/30/534577130.db2.gz HNGCQJDZKBLGMU-SNVBAGLBSA-N 1 2 293.352 2.072 20 5 CEBDLO Cc1n[nH]c([C@@H]2CC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)n1 ZINC000412025607 534577139 /nfs/dbraw/zinc/57/71/39/534577139.db2.gz HNGCQJDZKBLGMU-SNVBAGLBSA-N 1 2 293.352 2.072 20 5 CEBDLO Cc1nc([C@@H]2CC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000412025607 534577143 /nfs/dbraw/zinc/57/71/43/534577143.db2.gz HNGCQJDZKBLGMU-SNVBAGLBSA-N 1 2 293.352 2.072 20 5 CEBDLO Cc1nc([C@@H]2CC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000412025607 534577150 /nfs/dbraw/zinc/57/71/50/534577150.db2.gz HNGCQJDZKBLGMU-SNVBAGLBSA-N 1 2 293.352 2.072 20 5 CEBDLO CCc1ccc(C(=O)OCc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC000747783439 575175036 /nfs/dbraw/zinc/17/50/36/575175036.db2.gz OHUUDOHQALQKMB-UHFFFAOYSA-N 1 2 289.291 2.248 20 5 CEBDLO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@H]1C1OCCO1 ZINC000933909145 624080651 /nfs/dbraw/zinc/08/06/51/624080651.db2.gz LPKHFYRUXOCUPK-ZDUSSCGKSA-N 1 2 296.298 2.071 20 5 CEBDLO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@H]1C1OCCO1 ZINC000933909145 624080656 /nfs/dbraw/zinc/08/06/56/624080656.db2.gz LPKHFYRUXOCUPK-ZDUSSCGKSA-N 1 2 296.298 2.071 20 5 CEBDLO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC(C)(C)OC1=O ZINC000795667707 629648822 /nfs/dbraw/zinc/64/88/22/629648822.db2.gz SJCKYBQWEPKILT-CYBMUJFWSA-N 1 2 292.335 2.163 20 5 CEBDLO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC(C)(C)OC1=O ZINC000795667707 629648835 /nfs/dbraw/zinc/64/88/35/629648835.db2.gz SJCKYBQWEPKILT-CYBMUJFWSA-N 1 2 292.335 2.163 20 5 CEBDLO O=[N+]([O-])c1ccc(N2CCC(Nc3cccc[nH+]3)CC2)nc1 ZINC000895347308 630123901 /nfs/dbraw/zinc/12/39/01/630123901.db2.gz VCKCGCHKZPFNDX-UHFFFAOYSA-N 1 2 299.334 2.466 20 5 CEBDLO CCn1c[nH+]c2c1CCN(c1ccc([N+](=O)[O-])cc1)C2 ZINC000896661279 630624131 /nfs/dbraw/zinc/62/41/31/630624131.db2.gz MPQHTVHREZKJGI-UHFFFAOYSA-N 1 2 272.308 2.374 20 5 CEBDLO Cc1cc(C(=O)O[C@@H]2CC[N@H+](CCF)C2)ccc1[N+](=O)[O-] ZINC000802231074 631406102 /nfs/dbraw/zinc/40/61/02/631406102.db2.gz WYVJRKZALPFVAO-GFCCVEGCSA-N 1 2 296.298 2.104 20 5 CEBDLO Cc1cc(C(=O)O[C@@H]2CC[N@@H+](CCF)C2)ccc1[N+](=O)[O-] ZINC000802231074 631406107 /nfs/dbraw/zinc/40/61/07/631406107.db2.gz WYVJRKZALPFVAO-GFCCVEGCSA-N 1 2 296.298 2.104 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@H](O)[C@H](F)C1 ZINC000898183874 632098596 /nfs/dbraw/zinc/09/85/96/632098596.db2.gz OYAPOAGVTBPWJJ-OCCSQVGLSA-N 1 2 282.315 2.116 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@H](O)[C@H](F)C1 ZINC000898183874 632098605 /nfs/dbraw/zinc/09/86/05/632098605.db2.gz OYAPOAGVTBPWJJ-OCCSQVGLSA-N 1 2 282.315 2.116 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000898183875 632099181 /nfs/dbraw/zinc/09/91/81/632099181.db2.gz OYAPOAGVTBPWJJ-TZMCWYRMSA-N 1 2 282.315 2.116 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000898183875 632099188 /nfs/dbraw/zinc/09/91/88/632099188.db2.gz OYAPOAGVTBPWJJ-TZMCWYRMSA-N 1 2 282.315 2.116 20 5 CEBDLO CC[C@H]([NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-])C(=O)OC ZINC000901641940 634223000 /nfs/dbraw/zinc/22/30/00/634223000.db2.gz FXQLNPCOWSTTSL-JQWIXIFHSA-N 1 2 280.324 2.240 20 5 CEBDLO COc1cc([C@@H](C)[NH2+]Cc2cc[nH]n2)cc([N+](=O)[O-])c1 ZINC000903092484 634975018 /nfs/dbraw/zinc/97/50/18/634975018.db2.gz KJIXXFABCURHAC-SECBINFHSA-N 1 2 276.296 2.177 20 5 CEBDLO CCC1(CC)[C@@H](OC)C[C@@H]1[N@H+](C)Cn1nccc1[N+](=O)[O-] ZINC000165044449 639413509 /nfs/dbraw/zinc/41/35/09/639413509.db2.gz PDWQFGBDFKLSCC-RYUDHWBXSA-N 1 2 296.371 2.274 20 5 CEBDLO CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)Cn1nccc1[N+](=O)[O-] ZINC000165044449 639413513 /nfs/dbraw/zinc/41/35/13/639413513.db2.gz PDWQFGBDFKLSCC-RYUDHWBXSA-N 1 2 296.371 2.274 20 5 CEBDLO Cc1ccc(N2CC[N@H+](CC[N+](=O)[O-])[C@@H](C)C2)cc1C ZINC000929778434 640182548 /nfs/dbraw/zinc/18/25/48/640182548.db2.gz JBPCOHDLZPDIMX-AWEZNQCLSA-N 1 2 277.368 2.091 20 5 CEBDLO Cc1ccc(N2CC[N@@H+](CC[N+](=O)[O-])[C@@H](C)C2)cc1C ZINC000929778434 640182551 /nfs/dbraw/zinc/18/25/51/640182551.db2.gz JBPCOHDLZPDIMX-AWEZNQCLSA-N 1 2 277.368 2.091 20 5 CEBDLO COc1ccc[nH+]c1NC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877128625 650586434 /nfs/dbraw/zinc/58/64/34/650586434.db2.gz VGLHVMZDBFLBKV-UHFFFAOYSA-N 1 2 289.295 2.011 20 5 CEBDLO CCn1ncc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)n1 ZINC000858444489 645161467 /nfs/dbraw/zinc/16/14/67/645161467.db2.gz XKPNHDKXXIHXIJ-LLVKDONJSA-N 1 2 289.339 2.365 20 5 CEBDLO Cc1cccc(C(=O)OCCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000763288034 645529793 /nfs/dbraw/zinc/52/97/93/645529793.db2.gz NJFCFNKJIIVCCK-UHFFFAOYSA-N 1 2 289.291 2.347 20 5 CEBDLO O=[N+]([O-])c1cnn(C[NH+]2CCC(c3cccnc3)CC2)c1 ZINC000768467666 646128460 /nfs/dbraw/zinc/12/84/60/646128460.db2.gz GNNVODGNLBFSFQ-UHFFFAOYSA-N 1 2 287.323 2.023 20 5 CEBDLO CC(C)C1(O)C[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000773893207 646785726 /nfs/dbraw/zinc/78/57/26/646785726.db2.gz MAIOSEDBRKJYDV-LLVKDONJSA-N 1 2 264.325 2.359 20 5 CEBDLO CCC[C@@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000776594061 647076703 /nfs/dbraw/zinc/07/67/03/647076703.db2.gz SMCRHYDWQMCGOV-CABCVRRESA-N 1 2 294.351 2.129 20 5 CEBDLO CCC[C@@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000776594061 647076704 /nfs/dbraw/zinc/07/67/04/647076704.db2.gz SMCRHYDWQMCGOV-CABCVRRESA-N 1 2 294.351 2.129 20 5 CEBDLO O=C(OCCCn1cc[nH+]c1)c1csc([N+](=O)[O-])c1 ZINC000783022670 647670465 /nfs/dbraw/zinc/67/04/65/647670465.db2.gz FQDTWIXTEZTACD-UHFFFAOYSA-N 1 2 281.293 2.100 20 5 CEBDLO C[N@H+](CC[N+](=O)[O-])Cc1csc(Br)c1 ZINC000791051993 648476213 /nfs/dbraw/zinc/47/62/13/648476213.db2.gz JCCKJAIBWSITFC-UHFFFAOYSA-N 1 2 279.159 2.219 20 5 CEBDLO C[N@@H+](CC[N+](=O)[O-])Cc1csc(Br)c1 ZINC000791051993 648476217 /nfs/dbraw/zinc/47/62/17/648476217.db2.gz JCCKJAIBWSITFC-UHFFFAOYSA-N 1 2 279.159 2.219 20 5 CEBDLO Cn1cccc1C[N@H+](C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000128254227 651396570 /nfs/dbraw/zinc/39/65/70/651396570.db2.gz XDIUIQZYFIHSQA-UHFFFAOYSA-N 1 2 299.334 2.373 20 5 CEBDLO Cn1cccc1C[N@@H+](C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000128254227 651396571 /nfs/dbraw/zinc/39/65/71/651396571.db2.gz XDIUIQZYFIHSQA-UHFFFAOYSA-N 1 2 299.334 2.373 20 5 CEBDLO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cn(C)nn1 ZINC000715883588 815002052 /nfs/dbraw/zinc/00/20/52/815002052.db2.gz WTWGKAMAYRXTOL-VHSXEESVSA-N 1 2 275.312 2.135 20 5 CEBDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC2(CCO2)C1 ZINC001173231893 815632934 /nfs/dbraw/zinc/63/29/34/815632934.db2.gz DLDCSLWOAMARTM-LLVKDONJSA-N 1 2 262.309 2.001 20 5 CEBDLO COC(=O)C1([NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001173210361 815635353 /nfs/dbraw/zinc/63/53/53/815635353.db2.gz JRGXMZFPOSOCKE-NSHDSACASA-N 1 2 292.335 2.211 20 5 CEBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCOC1 ZINC000096687096 185109722 /nfs/dbraw/zinc/10/97/22/185109722.db2.gz DKTNFOLCMGLVQF-LLVKDONJSA-N 1 2 270.716 2.469 20 5 CEBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCOC1 ZINC000096687096 185109723 /nfs/dbraw/zinc/10/97/23/185109723.db2.gz DKTNFOLCMGLVQF-LLVKDONJSA-N 1 2 270.716 2.469 20 5 CEBDLO CCCC[N@H+](CC(N)=O)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000042691145 362110158 /nfs/dbraw/zinc/11/01/58/362110158.db2.gz GPHFFSYUBQRYJN-UHFFFAOYSA-N 1 2 299.758 2.336 20 5 CEBDLO CCCC[N@@H+](CC(N)=O)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000042691145 362110165 /nfs/dbraw/zinc/11/01/65/362110165.db2.gz GPHFFSYUBQRYJN-UHFFFAOYSA-N 1 2 299.758 2.336 20 5 CEBDLO CCOC[C@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000093838621 344230637 /nfs/dbraw/zinc/23/06/37/344230637.db2.gz SQBZHZOKAKRGEI-NSHDSACASA-N 1 2 280.324 2.159 20 5 CEBDLO CCOC[C@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000093838621 344230639 /nfs/dbraw/zinc/23/06/39/344230639.db2.gz SQBZHZOKAKRGEI-NSHDSACASA-N 1 2 280.324 2.159 20 5 CEBDLO COC(=O)c1occc1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000050015608 362390227 /nfs/dbraw/zinc/39/02/27/362390227.db2.gz SGDFRGZCGYLLIN-UHFFFAOYSA-N 1 2 290.275 2.264 20 5 CEBDLO O=[N+]([O-])c1cc(F)c(COCc2[nH]cc[nH+]2)c(F)c1 ZINC000586194157 345016728 /nfs/dbraw/zinc/01/67/28/345016728.db2.gz UYVQYXLCLFNVSH-UHFFFAOYSA-N 1 2 269.207 2.313 20 5 CEBDLO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCc2[nH+]c[nH]c2C1 ZINC000590598917 345150145 /nfs/dbraw/zinc/15/01/45/345150145.db2.gz DSCNFUKBMVOONA-JTQLQIEISA-N 1 2 272.308 2.437 20 5 CEBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000592131410 345327658 /nfs/dbraw/zinc/32/76/58/345327658.db2.gz WMECIVQTGAGZEA-LBPRGKRZSA-N 1 2 297.305 2.120 20 5 CEBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000592131410 345327660 /nfs/dbraw/zinc/32/76/60/345327660.db2.gz WMECIVQTGAGZEA-LBPRGKRZSA-N 1 2 297.305 2.120 20 5 CEBDLO Cc1noc(C[N@@H+]2CC(C)(C)OCC2(C)C)c1[N+](=O)[O-] ZINC000595322844 345762560 /nfs/dbraw/zinc/76/25/60/345762560.db2.gz OQWGEGYRSMCGBQ-UHFFFAOYSA-N 1 2 283.328 2.281 20 5 CEBDLO Cc1noc(C[N@H+]2CC(C)(C)OCC2(C)C)c1[N+](=O)[O-] ZINC000595322844 345762564 /nfs/dbraw/zinc/76/25/64/345762564.db2.gz OQWGEGYRSMCGBQ-UHFFFAOYSA-N 1 2 283.328 2.281 20 5 CEBDLO Cc1noc(C[N@H+](C)CCOC(C)(C)C)c1[N+](=O)[O-] ZINC000595353584 345767807 /nfs/dbraw/zinc/76/78/07/345767807.db2.gz SFNAJHRGSWEFNU-UHFFFAOYSA-N 1 2 271.317 2.138 20 5 CEBDLO Cc1noc(C[N@@H+](C)CCOC(C)(C)C)c1[N+](=O)[O-] ZINC000595353584 345767809 /nfs/dbraw/zinc/76/78/09/345767809.db2.gz SFNAJHRGSWEFNU-UHFFFAOYSA-N 1 2 271.317 2.138 20 5 CEBDLO CN(Cc1[nH+]ccn1C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595398495 345774370 /nfs/dbraw/zinc/77/43/70/345774370.db2.gz QUXAPWCPTPYAGK-UHFFFAOYSA-N 1 2 278.287 2.099 20 5 CEBDLO Cc1cc(N(C)Cc2[nH]cc[nH+]2)c([N+](=O)[O-])s1 ZINC000596132451 345947083 /nfs/dbraw/zinc/94/70/83/345947083.db2.gz LKBQICISVQBVPV-UHFFFAOYSA-N 1 2 252.299 2.324 20 5 CEBDLO Cc1sc(C(=O)N[C@H](C)c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000598460762 346360543 /nfs/dbraw/zinc/36/05/43/346360543.db2.gz XJPOMVCZMMZYER-SSDOTTSWSA-N 1 2 294.336 2.189 20 5 CEBDLO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000599000368 346444838 /nfs/dbraw/zinc/44/48/38/346444838.db2.gz SFGBNBZZARGAEO-RZGXBDKHSA-N 1 2 280.324 2.202 20 5 CEBDLO C[C@H](CO)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599027332 346449084 /nfs/dbraw/zinc/44/90/84/346449084.db2.gz MJJXZDWHIRVHNY-VIFPVBQESA-N 1 2 261.281 2.183 20 5 CEBDLO CCOC[C@H]1C[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000599616641 346546575 /nfs/dbraw/zinc/54/65/75/346546575.db2.gz FLDUYUFGTUDVFR-CHWSQXEVSA-N 1 2 294.351 2.393 20 5 CEBDLO CCOC[C@H]1C[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000599616641 346546579 /nfs/dbraw/zinc/54/65/79/346546579.db2.gz FLDUYUFGTUDVFR-CHWSQXEVSA-N 1 2 294.351 2.393 20 5 CEBDLO Cc1cnc(NCC(C)(C)n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000601197936 346784476 /nfs/dbraw/zinc/78/44/76/346784476.db2.gz IBTYBZGWQHRWFF-UHFFFAOYSA-N 1 2 275.312 2.342 20 5 CEBDLO O=[N+]([O-])c1ccc(CC[NH2+]Cc2noc(C3CC3)n2)cc1 ZINC000602645830 347121151 /nfs/dbraw/zinc/12/11/51/347121151.db2.gz TWWOSFKZOKKPDO-UHFFFAOYSA-N 1 2 288.307 2.188 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1c[nH]nc1C ZINC000602935948 347251464 /nfs/dbraw/zinc/25/14/64/347251464.db2.gz CFJLYRXXZZFETA-UHFFFAOYSA-N 1 2 290.323 2.267 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1c[nH]nc1C ZINC000602935948 347251466 /nfs/dbraw/zinc/25/14/66/347251466.db2.gz CFJLYRXXZZFETA-UHFFFAOYSA-N 1 2 290.323 2.267 20 5 CEBDLO C[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000602848376 347223706 /nfs/dbraw/zinc/22/37/06/347223706.db2.gz MMZLEEFFRMXHDM-IJLUTSLNSA-N 1 2 291.351 2.034 20 5 CEBDLO C[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000602848376 347223708 /nfs/dbraw/zinc/22/37/08/347223708.db2.gz MMZLEEFFRMXHDM-IJLUTSLNSA-N 1 2 291.351 2.034 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000602879370 347236153 /nfs/dbraw/zinc/23/61/53/347236153.db2.gz CVIHGEIMISVBAL-CYBMUJFWSA-N 1 2 288.307 2.361 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000602879370 347236155 /nfs/dbraw/zinc/23/61/55/347236155.db2.gz CVIHGEIMISVBAL-CYBMUJFWSA-N 1 2 288.307 2.361 20 5 CEBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+](CCCO)C1CC1 ZINC000609846162 347652339 /nfs/dbraw/zinc/65/23/39/347652339.db2.gz LQWBFGRNJFZOKD-UHFFFAOYSA-N 1 2 268.288 2.081 20 5 CEBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+](CCCO)C1CC1 ZINC000609846162 347652341 /nfs/dbraw/zinc/65/23/41/347652341.db2.gz LQWBFGRNJFZOKD-UHFFFAOYSA-N 1 2 268.288 2.081 20 5 CEBDLO C[C@H]1COCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610990859 347728174 /nfs/dbraw/zinc/72/81/74/347728174.db2.gz RASJWMPQTMQJLU-JTQLQIEISA-N 1 2 291.307 2.347 20 5 CEBDLO C[C@H]1COCCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610990859 347728176 /nfs/dbraw/zinc/72/81/76/347728176.db2.gz RASJWMPQTMQJLU-JTQLQIEISA-N 1 2 291.307 2.347 20 5 CEBDLO CC[N@H+](CC(=O)N(C)C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000611204695 347751261 /nfs/dbraw/zinc/75/12/61/347751261.db2.gz XGZVCQVOKLLELQ-NSHDSACASA-N 1 2 279.340 2.066 20 5 CEBDLO CC[N@@H+](CC(=O)N(C)C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000611204695 347751264 /nfs/dbraw/zinc/75/12/64/347751264.db2.gz XGZVCQVOKLLELQ-NSHDSACASA-N 1 2 279.340 2.066 20 5 CEBDLO CN(Cc1[nH+]ccn1C)c1ccsc1[N+](=O)[O-] ZINC000611239180 347756562 /nfs/dbraw/zinc/75/65/62/347756562.db2.gz QVEIRLWJCYTBFV-UHFFFAOYSA-N 1 2 252.299 2.026 20 5 CEBDLO COc1ccc([N+](=O)[O-])c(N2CCn3cc(C)[nH+]c3C2)c1 ZINC000611764297 347814891 /nfs/dbraw/zinc/81/48/91/347814891.db2.gz PHZIUBITHKUKBE-UHFFFAOYSA-N 1 2 288.307 2.129 20 5 CEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCC1CC1 ZINC000615992760 348425393 /nfs/dbraw/zinc/42/53/93/348425393.db2.gz AEWYAEDGDCXGQD-UHFFFAOYSA-N 1 2 291.351 2.249 20 5 CEBDLO CC[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000339507818 215219715 /nfs/dbraw/zinc/21/97/15/215219715.db2.gz FYFPRDLFSZPBLG-JSGCOSHPSA-N 1 2 280.324 2.348 20 5 CEBDLO C[C@@H]1C[N@@H+](CCN(C)c2sccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000618978426 349083375 /nfs/dbraw/zinc/08/33/75/349083375.db2.gz ALOKKFKNGJIZCZ-PHIMTYICSA-N 1 2 299.396 2.202 20 5 CEBDLO C[C@@H]1C[N@H+](CCN(C)c2sccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000618978426 349083377 /nfs/dbraw/zinc/08/33/77/349083377.db2.gz ALOKKFKNGJIZCZ-PHIMTYICSA-N 1 2 299.396 2.202 20 5 CEBDLO Nc1c(C(=O)Nc2ccn3cc[nH+]c3c2)cccc1[N+](=O)[O-] ZINC000619578062 349202408 /nfs/dbraw/zinc/20/24/08/349202408.db2.gz BAEHXUQSEACOSD-UHFFFAOYSA-N 1 2 297.274 2.077 20 5 CEBDLO CCC[C@H]([NH2+]Cc1ncn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000090969165 180077261 /nfs/dbraw/zinc/07/72/61/180077261.db2.gz OXJPNQNKCWRTLG-ZDUSSCGKSA-N 1 2 289.339 2.354 20 5 CEBDLO CCOC(=O)C[N@H+](CC)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000092399513 180377069 /nfs/dbraw/zinc/37/70/69/180377069.db2.gz XWMHXYZGNFGBTH-UHFFFAOYSA-N 1 2 280.324 2.288 20 5 CEBDLO CCOC(=O)C[N@@H+](CC)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000092399513 180377071 /nfs/dbraw/zinc/37/70/71/180377071.db2.gz XWMHXYZGNFGBTH-UHFFFAOYSA-N 1 2 280.324 2.288 20 5 CEBDLO Cn1ncc(Cl)c1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000130536531 365966437 /nfs/dbraw/zinc/96/64/37/365966437.db2.gz XKCHUODIINIVPE-UHFFFAOYSA-N 1 2 280.715 2.272 20 5 CEBDLO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CCCOC1 ZINC000352229831 219374005 /nfs/dbraw/zinc/37/40/05/219374005.db2.gz GJGPGWNNTIUUHP-VIFPVBQESA-N 1 2 286.278 2.484 20 5 CEBDLO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CCCOC1 ZINC000352229831 219374007 /nfs/dbraw/zinc/37/40/07/219374007.db2.gz GJGPGWNNTIUUHP-VIFPVBQESA-N 1 2 286.278 2.484 20 5 CEBDLO Cc1nonc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000271706063 191284020 /nfs/dbraw/zinc/28/40/20/191284020.db2.gz UXDSTHUQNNAQAT-MRVPVSSYSA-N 1 2 262.269 2.137 20 5 CEBDLO CCCC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000135177209 366404000 /nfs/dbraw/zinc/40/40/00/366404000.db2.gz QJPOPJGKNCMSJU-CQSZACIVSA-N 1 2 294.351 2.459 20 5 CEBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338590758 366430213 /nfs/dbraw/zinc/43/02/13/366430213.db2.gz UEJNSDVQZZDYGH-MFKMUULPSA-N 1 2 268.288 2.062 20 5 CEBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@](F)(CO)C1 ZINC000338590758 366430221 /nfs/dbraw/zinc/43/02/21/366430221.db2.gz UEJNSDVQZZDYGH-MFKMUULPSA-N 1 2 268.288 2.062 20 5 CEBDLO C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc(F)cc1F ZINC000341071019 215819124 /nfs/dbraw/zinc/81/91/24/215819124.db2.gz JDMPPKSCTPDYIY-MRVPVSSYSA-N 1 2 296.277 2.457 20 5 CEBDLO CC[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000140554568 366561705 /nfs/dbraw/zinc/56/17/05/366561705.db2.gz JOWSSMSLYDQZOX-GFCCVEGCSA-N 1 2 288.307 2.128 20 5 CEBDLO COC1(C)CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000339073952 366640191 /nfs/dbraw/zinc/64/01/91/366640191.db2.gz CLMUKVSWYQVTKK-UHFFFAOYSA-N 1 2 280.324 2.301 20 5 CEBDLO CSC[C@@H](O)Cn1cc[nH+]c1-c1ccc([N+](=O)[O-])cc1 ZINC000187836902 189478789 /nfs/dbraw/zinc/47/87/89/189478789.db2.gz YACPTMMTYDYFSJ-LBPRGKRZSA-N 1 2 293.348 2.182 20 5 CEBDLO O=[N+]([O-])c1ccc(-c2nc(Cn3cc[nH+]c3)co2)cc1 ZINC000089910359 364015853 /nfs/dbraw/zinc/01/58/53/364015853.db2.gz NIPVYZLVQRCIEI-UHFFFAOYSA-N 1 2 270.248 2.495 20 5 CEBDLO Cc1cccc(NC[C@@H](C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000275415094 193027148 /nfs/dbraw/zinc/02/71/48/193027148.db2.gz GWDSOJISRLAHAW-GFCCVEGCSA-N 1 2 279.340 2.036 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)c1ncn(C)n1 ZINC000275664426 193099479 /nfs/dbraw/zinc/09/94/79/193099479.db2.gz YLOBAGDMAUCRPA-GHMZBOCLSA-N 1 2 289.339 2.444 20 5 CEBDLO CCc1nnc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)[nH]1 ZINC000160509026 367012638 /nfs/dbraw/zinc/01/26/38/367012638.db2.gz VQDPDEGPCMBAAB-JTQLQIEISA-N 1 2 289.339 2.435 20 5 CEBDLO CC(C)[N@H+](Cc1nncn1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000160840291 367037939 /nfs/dbraw/zinc/03/79/39/367037939.db2.gz WQMRHHRPVVMAQW-UHFFFAOYSA-N 1 2 289.339 2.134 20 5 CEBDLO CC(C)[N@@H+](Cc1nncn1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000160840291 367037942 /nfs/dbraw/zinc/03/79/42/367037942.db2.gz WQMRHHRPVVMAQW-UHFFFAOYSA-N 1 2 289.339 2.134 20 5 CEBDLO COCC[N@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000163411948 367237129 /nfs/dbraw/zinc/23/71/29/367237129.db2.gz QCBQQCJDQIRTDA-UHFFFAOYSA-N 1 2 258.705 2.326 20 5 CEBDLO COCC[N@@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000163411948 367237135 /nfs/dbraw/zinc/23/71/35/367237135.db2.gz QCBQQCJDQIRTDA-UHFFFAOYSA-N 1 2 258.705 2.326 20 5 CEBDLO CC1(C)COCC[N@@H+]1CCNc1cccc(F)c1[N+](=O)[O-] ZINC000170869401 367436452 /nfs/dbraw/zinc/43/64/52/367436452.db2.gz BYSVVNKLDIZCQG-UHFFFAOYSA-N 1 2 297.330 2.257 20 5 CEBDLO CC1(C)COCC[N@H+]1CCNc1cccc(F)c1[N+](=O)[O-] ZINC000170869401 367436458 /nfs/dbraw/zinc/43/64/58/367436458.db2.gz BYSVVNKLDIZCQG-UHFFFAOYSA-N 1 2 297.330 2.257 20 5 CEBDLO COC(=O)[C@]1(C)CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000186368121 368964337 /nfs/dbraw/zinc/96/43/37/368964337.db2.gz WZFZVDRNYSMJHJ-AWEZNQCLSA-N 1 2 278.308 2.122 20 5 CEBDLO COC(=O)[C@]1(C)CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000186368121 368964338 /nfs/dbraw/zinc/96/43/38/368964338.db2.gz WZFZVDRNYSMJHJ-AWEZNQCLSA-N 1 2 278.308 2.122 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000190123627 369597589 /nfs/dbraw/zinc/59/75/89/369597589.db2.gz OLUVFWATPBHWAP-OBJOEFQTSA-N 1 2 294.351 2.046 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000190123627 369597592 /nfs/dbraw/zinc/59/75/92/369597592.db2.gz OLUVFWATPBHWAP-OBJOEFQTSA-N 1 2 294.351 2.046 20 5 CEBDLO Cc1c(C[NH2+]Cc2csnn2)cccc1[N+](=O)[O-] ZINC000231884777 370497154 /nfs/dbraw/zinc/49/71/54/370497154.db2.gz SDPLXGWNOHSCLX-UHFFFAOYSA-N 1 2 264.310 2.045 20 5 CEBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2Cc3cccc(Cl)c3C2)c1 ZINC000287325516 376206106 /nfs/dbraw/zinc/20/61/06/376206106.db2.gz KETUGGRYFICAHG-UHFFFAOYSA-N 1 2 292.726 2.461 20 5 CEBDLO O=[N+]([O-])c1cnn(CC[N@H+]2Cc3cccc(Cl)c3C2)c1 ZINC000287325516 376206110 /nfs/dbraw/zinc/20/61/10/376206110.db2.gz KETUGGRYFICAHG-UHFFFAOYSA-N 1 2 292.726 2.461 20 5 CEBDLO C[C@@H](O)[C@@H](C)n1cc[nH+]c1-c1ccc([N+](=O)[O-])cc1 ZINC000268064575 372087791 /nfs/dbraw/zinc/08/77/91/372087791.db2.gz WQZHZXVXHHABOX-NXEZZACHSA-N 1 2 261.281 2.400 20 5 CEBDLO C[C@@H]1CCN(c2ncccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000268221541 372090851 /nfs/dbraw/zinc/09/08/51/372090851.db2.gz CLNOLTBZXWYXIZ-DGCLKSJQSA-N 1 2 287.323 2.274 20 5 CEBDLO CN(CCCn1cc[nH+]c1)c1cccc(F)c1[N+](=O)[O-] ZINC000269003261 372312340 /nfs/dbraw/zinc/31/23/40/372312340.db2.gz YOHZXLYFGUVYJM-UHFFFAOYSA-N 1 2 278.287 2.457 20 5 CEBDLO Cc1ccc(C[N@H+]2CC[S@](=O)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000365447600 372863497 /nfs/dbraw/zinc/86/34/97/372863497.db2.gz OGHVXOMHGRDIEX-FKIZINRSSA-N 1 2 296.392 2.246 20 5 CEBDLO Cc1ccc(C[N@@H+]2CC[S@](=O)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000365447600 372863498 /nfs/dbraw/zinc/86/34/98/372863498.db2.gz OGHVXOMHGRDIEX-FKIZINRSSA-N 1 2 296.392 2.246 20 5 CEBDLO Cc1ccc(C[N@H+]2CC[C@H](C)[S@@](=O)CC2)cc1[N+](=O)[O-] ZINC000277443474 374522743 /nfs/dbraw/zinc/52/27/43/374522743.db2.gz JKZSVHRFANMFQZ-YUNKPMOVSA-N 1 2 296.392 2.246 20 5 CEBDLO Cc1ccc(C[N@@H+]2CC[C@H](C)[S@@](=O)CC2)cc1[N+](=O)[O-] ZINC000277443474 374522751 /nfs/dbraw/zinc/52/27/51/374522751.db2.gz JKZSVHRFANMFQZ-YUNKPMOVSA-N 1 2 296.392 2.246 20 5 CEBDLO Cc1cccc(OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1[N+](=O)[O-] ZINC000418919445 376364976 /nfs/dbraw/zinc/36/49/76/376364976.db2.gz FUFUNENKCRADGQ-BETUJISGSA-N 1 2 292.335 2.145 20 5 CEBDLO Cc1cccc(OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1[N+](=O)[O-] ZINC000418919445 376364979 /nfs/dbraw/zinc/36/49/79/376364979.db2.gz FUFUNENKCRADGQ-BETUJISGSA-N 1 2 292.335 2.145 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCCC[C@H]1C1(O)CC1 ZINC000556780610 376482866 /nfs/dbraw/zinc/48/28/66/376482866.db2.gz XXPLVFXMAIPGRN-AWEZNQCLSA-N 1 2 292.335 2.180 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCCC[C@H]1C1(O)CC1 ZINC000556780610 376482871 /nfs/dbraw/zinc/48/28/71/376482871.db2.gz XXPLVFXMAIPGRN-AWEZNQCLSA-N 1 2 292.335 2.180 20 5 CEBDLO CCc1nnc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)[nH]1 ZINC000562572677 376936657 /nfs/dbraw/zinc/93/66/57/376936657.db2.gz OOXTWKUTGPUWLH-JTQLQIEISA-N 1 2 289.339 2.435 20 5 CEBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@@H]1CCCC[C@H]1O ZINC000330461094 377143728 /nfs/dbraw/zinc/14/37/28/377143728.db2.gz WOALZPZVTNPINM-XHDPSFHLSA-N 1 2 294.351 2.283 20 5 CEBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@@H]1CCCC[C@H]1O ZINC000330461094 377143737 /nfs/dbraw/zinc/14/37/37/377143737.db2.gz WOALZPZVTNPINM-XHDPSFHLSA-N 1 2 294.351 2.283 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC(CCCO)CC1 ZINC000330461494 377144114 /nfs/dbraw/zinc/14/41/14/377144114.db2.gz XELYIUZGPLCORK-UHFFFAOYSA-N 1 2 294.351 2.285 20 5 CEBDLO Cc1nnc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)[nH]1 ZINC000293296305 377508778 /nfs/dbraw/zinc/50/87/78/377508778.db2.gz URKLJIBSKWNBGX-SECBINFHSA-N 1 2 275.312 2.181 20 5 CEBDLO C[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCS1 ZINC000332216281 377543768 /nfs/dbraw/zinc/54/37/68/377543768.db2.gz KROUNMBJALPMGJ-VIFPVBQESA-N 1 2 292.364 2.408 20 5 CEBDLO C[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCS1 ZINC000332216281 377543770 /nfs/dbraw/zinc/54/37/70/377543770.db2.gz KROUNMBJALPMGJ-VIFPVBQESA-N 1 2 292.364 2.408 20 5 CEBDLO C[C@@H]1CSCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332302783 377564646 /nfs/dbraw/zinc/56/46/46/377564646.db2.gz ZSSBMAYLDVADJL-SECBINFHSA-N 1 2 292.364 2.408 20 5 CEBDLO C[C@@H]1CSCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332302783 377564655 /nfs/dbraw/zinc/56/46/55/377564655.db2.gz ZSSBMAYLDVADJL-SECBINFHSA-N 1 2 292.364 2.408 20 5 CEBDLO COc1cc[nH+]cc1CNc1ncccc1[N+](=O)[O-] ZINC000431402821 377634504 /nfs/dbraw/zinc/63/45/04/377634504.db2.gz KWTLKUQNJBLSRB-UHFFFAOYSA-N 1 2 260.253 2.006 20 5 CEBDLO C[C@H](NC(=O)CCc1[nH]cc[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC000295230753 378062373 /nfs/dbraw/zinc/06/23/73/378062373.db2.gz BQZSUZRANOWVQJ-JTQLQIEISA-N 1 2 288.307 2.128 20 5 CEBDLO Cc1cc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nc[nH+]1 ZINC000301260778 379237357 /nfs/dbraw/zinc/23/73/57/379237357.db2.gz SGUZCKPLZDVOJQ-UHFFFAOYSA-N 1 2 299.334 2.020 20 5 CEBDLO COCC[NH+]1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000292641008 285052646 /nfs/dbraw/zinc/05/26/46/285052646.db2.gz YYBVOBMWGWUNNI-UHFFFAOYSA-N 1 2 299.758 2.017 20 5 CEBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@@H](O)C1 ZINC000289409517 285076460 /nfs/dbraw/zinc/07/64/60/285076460.db2.gz URAJDGAVCLDJGR-SECBINFHSA-N 1 2 291.134 2.468 20 5 CEBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@@H](O)C1 ZINC000289409517 285076463 /nfs/dbraw/zinc/07/64/63/285076463.db2.gz URAJDGAVCLDJGR-SECBINFHSA-N 1 2 291.134 2.468 20 5 CEBDLO CCc1nocc1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000339187718 394949650 /nfs/dbraw/zinc/94/96/50/394949650.db2.gz DGWPNKQGYRSHJT-UHFFFAOYSA-N 1 2 261.281 2.435 20 5 CEBDLO Cc1nn(Cc2ccc(-n3cc[nH+]c3)cc2)cc1[N+](=O)[O-] ZINC000436473747 395119706 /nfs/dbraw/zinc/11/97/06/395119706.db2.gz LNUDNOAIOPLFMB-UHFFFAOYSA-N 1 2 283.291 2.334 20 5 CEBDLO O=[N+]([O-])c1ccc(Cl)c(CN2CCn3c[nH+]cc3C2)c1 ZINC000291517872 395129252 /nfs/dbraw/zinc/12/92/52/395129252.db2.gz IUCAARNMFSLXFD-UHFFFAOYSA-N 1 2 292.726 2.461 20 5 CEBDLO Cc1cnn(C)c1C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000573434062 395608525 /nfs/dbraw/zinc/60/85/25/395608525.db2.gz KLRWXTALKNJQQS-UHFFFAOYSA-N 1 2 286.335 2.195 20 5 CEBDLO Cc1cnn(C)c1C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000573434062 395608527 /nfs/dbraw/zinc/60/85/27/395608527.db2.gz KLRWXTALKNJQQS-UHFFFAOYSA-N 1 2 286.335 2.195 20 5 CEBDLO C[C@H]1CCN(c2ncccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000268221544 154142089 /nfs/dbraw/zinc/14/20/89/154142089.db2.gz CLNOLTBZXWYXIZ-WCQYABFASA-N 1 2 287.323 2.274 20 5 CEBDLO Cc1cnn(C2C[NH+](Cc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000375894231 157160137 /nfs/dbraw/zinc/16/01/37/157160137.db2.gz XLZZHEKKCDVCGR-UHFFFAOYSA-N 1 2 272.308 2.157 20 5 CEBDLO C[N@H+](CCCCO)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285405242 196275042 /nfs/dbraw/zinc/27/50/42/196275042.db2.gz ULRMTWZKCVLIDY-UHFFFAOYSA-N 1 2 274.267 2.077 20 5 CEBDLO C[N@@H+](CCCCO)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285405242 196275044 /nfs/dbraw/zinc/27/50/44/196275044.db2.gz ULRMTWZKCVLIDY-UHFFFAOYSA-N 1 2 274.267 2.077 20 5 CEBDLO Cc1nn(C)c(Sc2[nH+]cc3ccccn32)c1[N+](=O)[O-] ZINC000078727415 177376806 /nfs/dbraw/zinc/37/68/06/177376806.db2.gz QPUJPCZMNPSADI-UHFFFAOYSA-N 1 2 289.320 2.436 20 5 CEBDLO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000331555383 304503033 /nfs/dbraw/zinc/50/30/33/304503033.db2.gz HDSMGKZIGRERDJ-NSHDSACASA-N 1 2 289.295 2.013 20 5 CEBDLO Cc1ncc([N+](=O)[O-])n1Cc1cn2cc(C)ccc2[nH+]1 ZINC000348129808 265143210 /nfs/dbraw/zinc/14/32/10/265143210.db2.gz AKGWUUWZFXRKFT-UHFFFAOYSA-N 1 2 271.280 2.104 20 5 CEBDLO Cc1cc(C)c(CNc2ncc([N+](=O)[O-])cc2C)c[nH+]1 ZINC000397078248 270351302 /nfs/dbraw/zinc/35/13/02/270351302.db2.gz GELSQQGIZQSZJI-UHFFFAOYSA-N 1 2 272.308 2.344 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@H](C)[C@@H]1C ZINC000430217965 271363348 /nfs/dbraw/zinc/36/33/48/271363348.db2.gz MHQRSKWVTZIGKM-WDEREUQCSA-N 1 2 280.324 2.213 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@H](C)[C@@H]1C ZINC000430217965 271363350 /nfs/dbraw/zinc/36/33/50/271363350.db2.gz MHQRSKWVTZIGKM-WDEREUQCSA-N 1 2 280.324 2.213 20 5 CEBDLO C[C@H]1OCC[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000156190488 280056255 /nfs/dbraw/zinc/05/62/55/280056255.db2.gz HSSVGCOQNMOCMH-WDEREUQCSA-N 1 2 250.298 2.204 20 5 CEBDLO C[C@H]1OCC[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000156190488 280056260 /nfs/dbraw/zinc/05/62/60/280056260.db2.gz HSSVGCOQNMOCMH-WDEREUQCSA-N 1 2 250.298 2.204 20 5 CEBDLO CCOC1(C)C[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000459622148 290197687 /nfs/dbraw/zinc/19/76/87/290197687.db2.gz NPRIYYUPNSMKFL-UHFFFAOYSA-N 1 2 250.298 2.206 20 5 CEBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2Cc3ccc(Cl)cc3C2)c1 ZINC000459767188 290233172 /nfs/dbraw/zinc/23/31/72/290233172.db2.gz PUZWGZXMERMHKW-UHFFFAOYSA-N 1 2 292.726 2.461 20 5 CEBDLO O=[N+]([O-])c1cnn(CC[N@H+]2Cc3ccc(Cl)cc3C2)c1 ZINC000459767188 290233174 /nfs/dbraw/zinc/23/31/74/290233174.db2.gz PUZWGZXMERMHKW-UHFFFAOYSA-N 1 2 292.726 2.461 20 5 CEBDLO COc1cc(C[NH2+][C@H](C)c2ccn(C)n2)ccc1[N+](=O)[O-] ZINC000459771440 290233813 /nfs/dbraw/zinc/23/38/13/290233813.db2.gz BHVWBTXERZJQAQ-SNVBAGLBSA-N 1 2 290.323 2.188 20 5 CEBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000277033748 290268075 /nfs/dbraw/zinc/26/80/75/290268075.db2.gz BHQFPJAJUUWVPX-ZBUHCNDUSA-N 1 2 296.392 2.499 20 5 CEBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000277033748 290268078 /nfs/dbraw/zinc/26/80/78/290268078.db2.gz BHQFPJAJUUWVPX-ZBUHCNDUSA-N 1 2 296.392 2.499 20 5 CEBDLO CO[C@@H]1[C@@H](C)[C@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C1(C)C ZINC000345706177 293999318 /nfs/dbraw/zinc/99/93/18/293999318.db2.gz LLAXXYOHMLGODO-QCZZGDTMSA-N 1 2 294.351 2.450 20 5 CEBDLO COc1cccc(N2CCn3cc(C)[nH+]c3C2)c1[N+](=O)[O-] ZINC000363691187 295306625 /nfs/dbraw/zinc/30/66/25/295306625.db2.gz FNFSFKXPPIZMAD-UHFFFAOYSA-N 1 2 288.307 2.129 20 5 CEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1[C@H](C)C[C@H]1C ZINC000547768712 313543281 /nfs/dbraw/zinc/54/32/81/313543281.db2.gz GMOYVGVMMDCUDS-MXWKQRLJSA-N 1 2 277.324 2.405 20 5 CEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000365660937 527488807 /nfs/dbraw/zinc/48/88/07/527488807.db2.gz OODTZXANAGBKHJ-SNVBAGLBSA-N 1 2 276.296 2.258 20 5 CEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H]1c1ccco1 ZINC000365660937 527488811 /nfs/dbraw/zinc/48/88/11/527488811.db2.gz OODTZXANAGBKHJ-SNVBAGLBSA-N 1 2 276.296 2.258 20 5 CEBDLO CCc1noc(-c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000731793109 574603042 /nfs/dbraw/zinc/60/30/42/574603042.db2.gz JZLFFEWTUAPCEU-UHFFFAOYSA-N 1 2 285.263 2.393 20 5 CEBDLO Cc1nn(C[NH+]2C[C@@H](C)S[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000743377310 575052097 /nfs/dbraw/zinc/05/20/97/575052097.db2.gz XYOQMDAKHJUTBA-RKDXNWHRSA-N 1 2 284.385 2.191 20 5 CEBDLO COc1cc(C[N@@H+]2CCO[C@H](C)CC2)c([N+](=O)[O-])cc1F ZINC000932338679 622621154 /nfs/dbraw/zinc/62/11/54/622621154.db2.gz DQHNBSVIHQUEJI-SNVBAGLBSA-N 1 2 298.314 2.353 20 5 CEBDLO COc1cc(C[N@H+]2CCO[C@H](C)CC2)c([N+](=O)[O-])cc1F ZINC000932338679 622621161 /nfs/dbraw/zinc/62/11/61/622621161.db2.gz DQHNBSVIHQUEJI-SNVBAGLBSA-N 1 2 298.314 2.353 20 5 CEBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@@H]1C1OCCO1 ZINC000933896780 624074026 /nfs/dbraw/zinc/07/40/26/624074026.db2.gz OXBTXPSUVDBOMI-GFCCVEGCSA-N 1 2 296.298 2.071 20 5 CEBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H]1C1OCCO1 ZINC000933896780 624074029 /nfs/dbraw/zinc/07/40/29/624074029.db2.gz OXBTXPSUVDBOMI-GFCCVEGCSA-N 1 2 296.298 2.071 20 5 CEBDLO Nc1ccc([N+](=O)[O-])c(N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000800849019 631149014 /nfs/dbraw/zinc/14/90/14/631149014.db2.gz QJBFVYDHXPSODU-GFCCVEGCSA-N 1 2 287.323 2.215 20 5 CEBDLO Cn1cc[nH+]c1CCCOC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000802783523 631459150 /nfs/dbraw/zinc/45/91/50/631459150.db2.gz VCDLJGSDSWORMR-UHFFFAOYSA-N 1 2 289.291 2.118 20 5 CEBDLO Nc1ccc(N2CCC[C@@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000804429061 631681357 /nfs/dbraw/zinc/68/13/57/631681357.db2.gz CBUCSCHCPYHXKX-GFCCVEGCSA-N 1 2 287.323 2.215 20 5 CEBDLO COc1ccc(OCC[N@@H+]2CCC[C@H](F)C2)c([N+](=O)[O-])c1 ZINC000902999252 634931170 /nfs/dbraw/zinc/93/11/70/634931170.db2.gz WIMLYYJRGIKHOO-NSHDSACASA-N 1 2 298.314 2.416 20 5 CEBDLO COc1ccc(OCC[N@H+]2CCC[C@H](F)C2)c([N+](=O)[O-])c1 ZINC000902999252 634931173 /nfs/dbraw/zinc/93/11/73/634931173.db2.gz WIMLYYJRGIKHOO-NSHDSACASA-N 1 2 298.314 2.416 20 5 CEBDLO Cc1ccc(C[N@H+](C)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000912861362 639041727 /nfs/dbraw/zinc/04/17/27/639041727.db2.gz WVWYHLBMHUAKNG-UHFFFAOYSA-N 1 2 260.297 2.189 20 5 CEBDLO Cc1ccc(C[N@@H+](C)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000912861362 639041735 /nfs/dbraw/zinc/04/17/35/639041735.db2.gz WVWYHLBMHUAKNG-UHFFFAOYSA-N 1 2 260.297 2.189 20 5 CEBDLO CC[C@@H]1C[N@H+](Cn2nc(C)c([N+](=O)[O-])c2C)CCS1 ZINC000173505235 639862995 /nfs/dbraw/zinc/86/29/95/639862995.db2.gz RAMKQTGNJCAWBD-LLVKDONJSA-N 1 2 284.385 2.193 20 5 CEBDLO CC[C@@H]1C[N@@H+](Cn2nc(C)c([N+](=O)[O-])c2C)CCS1 ZINC000173505235 639863003 /nfs/dbraw/zinc/86/30/03/639863003.db2.gz RAMKQTGNJCAWBD-LLVKDONJSA-N 1 2 284.385 2.193 20 5 CEBDLO O=C(OCC(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000171485913 642551749 /nfs/dbraw/zinc/55/17/49/642551749.db2.gz PLZLVYKWIGXVDS-UHFFFAOYSA-N 1 2 297.217 2.202 20 5 CEBDLO COC(C)(C)[C@@H](C)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000922582067 643141739 /nfs/dbraw/zinc/14/17/39/643141739.db2.gz SLGIZNARGOFBMY-SECBINFHSA-N 1 2 268.313 2.204 20 5 CEBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)c1 ZINC000852537070 643463752 /nfs/dbraw/zinc/46/37/52/643463752.db2.gz PDUNVIJUXHIGQD-GXFFZTMASA-N 1 2 282.727 2.205 20 5 CEBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)c1 ZINC000852537070 643463756 /nfs/dbraw/zinc/46/37/56/643463756.db2.gz PDUNVIJUXHIGQD-GXFFZTMASA-N 1 2 282.727 2.205 20 5 CEBDLO Cc1[nH+]c[nH]c1CNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000758509552 644935354 /nfs/dbraw/zinc/93/53/54/644935354.db2.gz YBOIXXCDULOSGQ-UHFFFAOYSA-N 1 2 292.270 2.004 20 5 CEBDLO C[C@@H](C(=O)OCCn1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000763410712 645542733 /nfs/dbraw/zinc/54/27/33/645542733.db2.gz XUFSHXJSYCCDJF-LLVKDONJSA-N 1 2 289.291 2.138 20 5 CEBDLO CCC[C@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000776594062 647076519 /nfs/dbraw/zinc/07/65/19/647076519.db2.gz SMCRHYDWQMCGOV-GJZGRUSLSA-N 1 2 294.351 2.129 20 5 CEBDLO CCC[C@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000776594062 647076522 /nfs/dbraw/zinc/07/65/22/647076522.db2.gz SMCRHYDWQMCGOV-GJZGRUSLSA-N 1 2 294.351 2.129 20 5 CEBDLO Cc1nn(C[NH+]2CCC(C)(F)CC2)c(C)c1[N+](=O)[O-] ZINC000872690239 649457262 /nfs/dbraw/zinc/45/72/62/649457262.db2.gz HJMPMOMUXJRLSO-UHFFFAOYSA-N 1 2 270.308 2.190 20 5 CEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(F)CC1 ZINC000880242230 651407843 /nfs/dbraw/zinc/40/78/43/651407843.db2.gz YSFQJNVIKDAWBB-SNVBAGLBSA-N 1 2 295.314 2.356 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(C(=O)OCCn2cc[nH+]c2)c1C ZINC000885423959 653005716 /nfs/dbraw/zinc/00/57/16/653005716.db2.gz GZHXPWOVCIFUDA-UHFFFAOYSA-N 1 2 289.291 2.265 20 5 CEBDLO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cn(C)nn1 ZINC000715883587 815001153 /nfs/dbraw/zinc/00/11/53/815001153.db2.gz WTWGKAMAYRXTOL-UWVGGRQHSA-N 1 2 275.312 2.135 20 5 CEBDLO C[C@@H]([NH2+][C@@H](C)c1cn(C)nn1)c1cccc([N+](=O)[O-])c1 ZINC000715883590 815001359 /nfs/dbraw/zinc/00/13/59/815001359.db2.gz WTWGKAMAYRXTOL-ZJUUUORDSA-N 1 2 275.312 2.135 20 5 CEBDLO CCOC(=O)C[N@H+](CC)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254568348 812488894 /nfs/dbraw/zinc/48/88/94/812488894.db2.gz ZDFYPJJRRCBGKQ-LBPRGKRZSA-N 1 2 294.351 2.411 20 5 CEBDLO CCOC(=O)C[N@@H+](CC)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254568348 812488896 /nfs/dbraw/zinc/48/88/96/812488896.db2.gz ZDFYPJJRRCBGKQ-LBPRGKRZSA-N 1 2 294.351 2.411 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccco1 ZINC000037011382 361881815 /nfs/dbraw/zinc/88/18/15/361881815.db2.gz ZIZFDXDAERKGFM-UHFFFAOYSA-N 1 2 262.265 2.486 20 5 CEBDLO Cc1ccc([C@H](C)[NH2+][C@H](C)c2nncn2C)cc1[N+](=O)[O-] ZINC000037016400 361883649 /nfs/dbraw/zinc/88/36/49/361883649.db2.gz DWZRQPNBXJRQPY-WDEREUQCSA-N 1 2 289.339 2.444 20 5 CEBDLO Cc1cn(Cc2c[nH+]cn2Cc2ccccc2)nc1[N+](=O)[O-] ZINC000337933189 214318813 /nfs/dbraw/zinc/31/88/13/214318813.db2.gz DEPINKRXLALKSY-UHFFFAOYSA-N 1 2 297.318 2.393 20 5 CEBDLO C[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000492815513 290656760 /nfs/dbraw/zinc/65/67/60/290656760.db2.gz XJPQJBPTSRINGK-OMMCCPJFSA-N 1 2 286.291 2.209 20 5 CEBDLO C[C@@H](C[NH+]1CCOCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000042252055 362074109 /nfs/dbraw/zinc/07/41/09/362074109.db2.gz YKRXYMJFEJUNPV-JTQLQIEISA-N 1 2 299.758 2.381 20 5 CEBDLO C[C@H](NC(=O)CCn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1 ZINC000295445930 199513225 /nfs/dbraw/zinc/51/32/25/199513225.db2.gz WBRZYXMAHLWVLJ-NSHDSACASA-N 1 2 288.307 2.059 20 5 CEBDLO O=[N+]([O-])c1cc(F)ccc1SCC[NH+]1CCOCC1 ZINC000090069650 344135768 /nfs/dbraw/zinc/13/57/68/344135768.db2.gz IRPTZGRMRVDLLQ-UHFFFAOYSA-N 1 2 286.328 2.158 20 5 CEBDLO Cn1cc(C[N@@H+]2CC[C@@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC000602430669 347029447 /nfs/dbraw/zinc/02/94/47/347029447.db2.gz LVYLZGKNVAIBHL-CYBMUJFWSA-N 1 2 272.308 2.275 20 5 CEBDLO Cn1cc(C[N@H+]2CC[C@@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC000602430669 347029449 /nfs/dbraw/zinc/02/94/49/347029449.db2.gz LVYLZGKNVAIBHL-CYBMUJFWSA-N 1 2 272.308 2.275 20 5 CEBDLO COc1cc(F)c([N+](=O)[O-])c(NCCn2cc[nH+]c2)c1 ZINC000092582897 344195560 /nfs/dbraw/zinc/19/55/60/344195560.db2.gz LTWSJPOEJXQVQD-UHFFFAOYSA-N 1 2 280.259 2.051 20 5 CEBDLO C[C@@H](CNc1c(Cl)cncc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000589108542 345066018 /nfs/dbraw/zinc/06/60/18/345066018.db2.gz WLSIMESYZHWCGF-VIFPVBQESA-N 1 2 295.730 2.010 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@H](C(F)F)C1 ZINC000590169361 345119306 /nfs/dbraw/zinc/11/93/06/345119306.db2.gz XQGRWSLLNHLIRW-QMMMGPOBSA-N 1 2 272.251 2.387 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@H](C(F)F)C1 ZINC000590169361 345119308 /nfs/dbraw/zinc/11/93/08/345119308.db2.gz XQGRWSLLNHLIRW-QMMMGPOBSA-N 1 2 272.251 2.387 20 5 CEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCC3(CO)CC3)c2c1 ZINC000591148910 345225172 /nfs/dbraw/zinc/22/51/72/345225172.db2.gz CYKBXRQTDRETFY-UHFFFAOYSA-N 1 2 273.292 2.327 20 5 CEBDLO COc1ccnc(C[NH2+]Cc2csc([N+](=O)[O-])c2)c1F ZINC000594976807 345720888 /nfs/dbraw/zinc/72/08/88/345720888.db2.gz GWSUMLAWCWHUAE-UHFFFAOYSA-N 1 2 297.311 2.489 20 5 CEBDLO C[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1ccn(C)n1 ZINC000595538713 345806057 /nfs/dbraw/zinc/80/60/57/345806057.db2.gz JLBVJNICNRMYDG-VIFPVBQESA-N 1 2 278.287 2.318 20 5 CEBDLO C[N@H+](Cc1cn[nH]c1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595380089 345771612 /nfs/dbraw/zinc/77/16/12/345771612.db2.gz ZXYABLYZHBCUOL-UHFFFAOYSA-N 1 2 264.260 2.089 20 5 CEBDLO C[N@@H+](Cc1cn[nH]c1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595380089 345771616 /nfs/dbraw/zinc/77/16/16/345771616.db2.gz ZXYABLYZHBCUOL-UHFFFAOYSA-N 1 2 264.260 2.089 20 5 CEBDLO Cc1noc(C[N@@H+]2CCC(F)(F)[C@H](C)C2)c1[N+](=O)[O-] ZINC000595491796 345795104 /nfs/dbraw/zinc/79/51/04/345795104.db2.gz XXMYIERVVVQLOB-SSDOTTSWSA-N 1 2 275.255 2.368 20 5 CEBDLO Cc1noc(C[N@H+]2CCC(F)(F)[C@H](C)C2)c1[N+](=O)[O-] ZINC000595491796 345795106 /nfs/dbraw/zinc/79/51/06/345795106.db2.gz XXMYIERVVVQLOB-SSDOTTSWSA-N 1 2 275.255 2.368 20 5 CEBDLO C[C@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H]1CCO ZINC000595695392 345851446 /nfs/dbraw/zinc/85/14/46/345851446.db2.gz HFCHMWJTTLRRMD-SMDDNHRTSA-N 1 2 294.351 2.283 20 5 CEBDLO C[C@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H]1CCO ZINC000595695392 345851449 /nfs/dbraw/zinc/85/14/49/345851449.db2.gz HFCHMWJTTLRRMD-SMDDNHRTSA-N 1 2 294.351 2.283 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000595752355 345866428 /nfs/dbraw/zinc/86/64/28/345866428.db2.gz XSFJIRWTWOGHRQ-OAHLLOKOSA-N 1 2 292.335 2.037 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@](O)(C2CC2)C1 ZINC000595752355 345866431 /nfs/dbraw/zinc/86/64/31/345866431.db2.gz XSFJIRWTWOGHRQ-OAHLLOKOSA-N 1 2 292.335 2.037 20 5 CEBDLO Cc1noc(C[N@H+]2CC3(CCCC3)OC[C@H]2C)c1[N+](=O)[O-] ZINC000595810679 345881511 /nfs/dbraw/zinc/88/15/11/345881511.db2.gz ZUMVAAKJMDBKAM-SNVBAGLBSA-N 1 2 295.339 2.425 20 5 CEBDLO Cc1noc(C[N@@H+]2CC3(CCCC3)OC[C@H]2C)c1[N+](=O)[O-] ZINC000595810679 345881513 /nfs/dbraw/zinc/88/15/13/345881513.db2.gz ZUMVAAKJMDBKAM-SNVBAGLBSA-N 1 2 295.339 2.425 20 5 CEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC[C@@]4(O)C[C@H]4C3)c2c1 ZINC000596481348 346034840 /nfs/dbraw/zinc/03/48/40/346034840.db2.gz AKJCIXRTMMIULF-XHDPSFHLSA-N 1 2 285.303 2.104 20 5 CEBDLO Cc1cc(C(=O)N[C@H](C)c2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000598460972 346360271 /nfs/dbraw/zinc/36/02/71/346360271.db2.gz YHYVXZZDJGGJRE-SNVBAGLBSA-N 1 2 288.307 2.128 20 5 CEBDLO C[C@@]1(O)C[C@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599093512 346459106 /nfs/dbraw/zinc/45/91/06/346459106.db2.gz VJVXICMDZGZEHV-WJONMLJTSA-N 1 2 273.292 2.468 20 5 CEBDLO O=[N+]([O-])c1cccc(F)c1CN1CCc2[nH+]c[nH]c2C1 ZINC000599429874 346517550 /nfs/dbraw/zinc/51/75/50/346517550.db2.gz LUNCXBVLKYVGHT-UHFFFAOYSA-N 1 2 276.271 2.015 20 5 CEBDLO CCC(O)(CC)C[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000599673671 346560309 /nfs/dbraw/zinc/56/03/09/346560309.db2.gz UHEJRPRVQNVMTM-UHFFFAOYSA-N 1 2 282.340 2.283 20 5 CEBDLO CCC(O)(CC)C[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000599673671 346560311 /nfs/dbraw/zinc/56/03/11/346560311.db2.gz UHEJRPRVQNVMTM-UHFFFAOYSA-N 1 2 282.340 2.283 20 5 CEBDLO CC1(C)COCC[N@@H+]1CCNc1ccc([N+](=O)[O-])s1 ZINC000609120758 347626365 /nfs/dbraw/zinc/62/63/65/347626365.db2.gz YHUVTYJJAWNEGG-UHFFFAOYSA-N 1 2 285.369 2.179 20 5 CEBDLO CC1(C)COCC[N@H+]1CCNc1ccc([N+](=O)[O-])s1 ZINC000609120758 347626367 /nfs/dbraw/zinc/62/63/67/347626367.db2.gz YHUVTYJJAWNEGG-UHFFFAOYSA-N 1 2 285.369 2.179 20 5 CEBDLO O=C(Nc1ccc2[nH+]ccn2c1)c1cccc([N+](=O)[O-])c1 ZINC000609618963 347647166 /nfs/dbraw/zinc/64/71/66/347647166.db2.gz QGFWSACEUDMBRE-UHFFFAOYSA-N 1 2 282.259 2.495 20 5 CEBDLO Cc1cc(C[NH2+]Cc2csc([N+](=O)[O-])c2)ncn1 ZINC000611134706 347743000 /nfs/dbraw/zinc/74/30/00/347743000.db2.gz AUQDPAYSEMUSEI-UHFFFAOYSA-N 1 2 264.310 2.045 20 5 CEBDLO COc1cc(C[N@H+]2CC=CCC2)c([N+](=O)[O-])cc1OC ZINC000611521231 347789956 /nfs/dbraw/zinc/78/99/56/347789956.db2.gz XGXDCENKONAMLM-UHFFFAOYSA-N 1 2 278.308 2.374 20 5 CEBDLO COc1cc(C[N@@H+]2CC=CCC2)c([N+](=O)[O-])cc1OC ZINC000611521231 347789957 /nfs/dbraw/zinc/78/99/57/347789957.db2.gz XGXDCENKONAMLM-UHFFFAOYSA-N 1 2 278.308 2.374 20 5 CEBDLO Cc1[nH]ncc1[C@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000611520891 347790184 /nfs/dbraw/zinc/79/01/84/347790184.db2.gz UKXVCZNRYUIWPN-JTQLQIEISA-N 1 2 290.323 2.356 20 5 CEBDLO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)CCO1 ZINC000351971781 219271709 /nfs/dbraw/zinc/27/17/09/219271709.db2.gz WIFWTBLDZCWEMH-LBPRGKRZSA-N 1 2 280.324 2.214 20 5 CEBDLO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)CCO1 ZINC000351971781 219271710 /nfs/dbraw/zinc/27/17/10/219271710.db2.gz WIFWTBLDZCWEMH-LBPRGKRZSA-N 1 2 280.324 2.214 20 5 CEBDLO Cn1c[nH+]cc1CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000357603965 233106482 /nfs/dbraw/zinc/10/64/82/233106482.db2.gz QYDGIAOBSOVSEB-UHFFFAOYSA-N 1 2 268.223 2.219 20 5 CEBDLO Cc1ccc([C@@H](C)[NH2+]Cc2ncc[nH]2)cc1[N+](=O)[O-] ZINC000080581384 363670065 /nfs/dbraw/zinc/67/00/65/363670065.db2.gz VNNQDLUUHUVZQV-SNVBAGLBSA-N 1 2 260.297 2.477 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1cnccn1 ZINC000178729330 189141001 /nfs/dbraw/zinc/14/10/01/189141001.db2.gz XSAVTDFODYHKQV-JTQLQIEISA-N 1 2 288.307 2.244 20 5 CEBDLO CCc1nnc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000180392954 189252795 /nfs/dbraw/zinc/25/27/95/189252795.db2.gz DWVISRDLLJHIPY-VIFPVBQESA-N 1 2 276.296 2.391 20 5 CEBDLO Cc1cc(N2CCC[C@@H]2Cn2cc[nH+]c2)ncc1[N+](=O)[O-] ZINC000301563421 201070498 /nfs/dbraw/zinc/07/04/98/201070498.db2.gz PFCOVTIJUPGADE-GFCCVEGCSA-N 1 2 287.323 2.164 20 5 CEBDLO Cc1[nH]ncc1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581736324 366819203 /nfs/dbraw/zinc/81/92/03/366819203.db2.gz RVQBOSIKNPANGR-ZDUSSCGKSA-N 1 2 272.308 2.403 20 5 CEBDLO CN(Cc1[nH]cc[nH+]1)c1c(F)cccc1[N+](=O)[O-] ZINC000342422679 216347000 /nfs/dbraw/zinc/34/70/00/216347000.db2.gz ZWJPEHXSDPIWMS-UHFFFAOYSA-N 1 2 250.233 2.093 20 5 CEBDLO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC(F)(F)CO ZINC000184702549 189393203 /nfs/dbraw/zinc/39/32/03/189393203.db2.gz ISDQLVBNHIXJRU-JTQLQIEISA-N 1 2 288.294 2.133 20 5 CEBDLO O=[N+]([O-])c1cnc(NCc2ccccc2-n2cc[nH+]c2)nc1 ZINC000302209123 201397874 /nfs/dbraw/zinc/39/78/74/201397874.db2.gz FTSIGHHLMFSMJZ-UHFFFAOYSA-N 1 2 296.290 2.183 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC[C@H]2C2CC2)c(F)c1 ZINC000090008585 364033931 /nfs/dbraw/zinc/03/39/31/364033931.db2.gz QNBKKAWWLXFPGI-AWEZNQCLSA-N 1 2 280.299 2.345 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCOC[C@H]2C2CC2)c(F)c1 ZINC000090008585 364033932 /nfs/dbraw/zinc/03/39/32/364033932.db2.gz QNBKKAWWLXFPGI-AWEZNQCLSA-N 1 2 280.299 2.345 20 5 CEBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CC1=CCCOC1)CCO2 ZINC000356520747 370740273 /nfs/dbraw/zinc/74/02/73/370740273.db2.gz JDINQZWQFLZUIP-UHFFFAOYSA-N 1 2 290.319 2.136 20 5 CEBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CC1=CCCOC1)CCO2 ZINC000356520747 370740275 /nfs/dbraw/zinc/74/02/75/370740275.db2.gz JDINQZWQFLZUIP-UHFFFAOYSA-N 1 2 290.319 2.136 20 5 CEBDLO CC[C@@H]1COCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000115573681 365014846 /nfs/dbraw/zinc/01/48/46/365014846.db2.gz SLYPWHZUQQOTNT-GFCCVEGCSA-N 1 2 250.298 2.206 20 5 CEBDLO CC[C@@H]1COCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000115573681 365014850 /nfs/dbraw/zinc/01/48/50/365014850.db2.gz SLYPWHZUQQOTNT-GFCCVEGCSA-N 1 2 250.298 2.206 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000584349326 367148514 /nfs/dbraw/zinc/14/85/14/367148514.db2.gz OLWLBKNYAVXZCJ-HNNXBMFYSA-N 1 2 292.335 2.301 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCOC[C@H]1C1CCC1 ZINC000584349326 367148520 /nfs/dbraw/zinc/14/85/20/367148520.db2.gz OLWLBKNYAVXZCJ-HNNXBMFYSA-N 1 2 292.335 2.301 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000584349327 367148860 /nfs/dbraw/zinc/14/88/60/367148860.db2.gz OLWLBKNYAVXZCJ-OAHLLOKOSA-N 1 2 292.335 2.301 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCOC[C@@H]1C1CCC1 ZINC000584349327 367148863 /nfs/dbraw/zinc/14/88/63/367148863.db2.gz OLWLBKNYAVXZCJ-OAHLLOKOSA-N 1 2 292.335 2.301 20 5 CEBDLO Cc1ccc(-c2nc(Cc3c[nH+]cn3C)no2)cc1[N+](=O)[O-] ZINC000357953063 370850224 /nfs/dbraw/zinc/85/02/24/370850224.db2.gz SWWOOVYIIBCKGB-UHFFFAOYSA-N 1 2 299.290 2.278 20 5 CEBDLO C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1c(F)cccc1F ZINC000341282114 367264970 /nfs/dbraw/zinc/26/49/70/367264970.db2.gz KAXOXRHXNHCMCP-QMMMGPOBSA-N 1 2 296.277 2.457 20 5 CEBDLO Cc1[nH+]c[nH]c1CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000345643194 368356005 /nfs/dbraw/zinc/35/60/05/368356005.db2.gz QWKOEXOSJXCXAR-UHFFFAOYSA-N 1 2 274.280 2.116 20 5 CEBDLO O=[N+]([O-])c1ccc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)cn1 ZINC000345695637 368376094 /nfs/dbraw/zinc/37/60/94/368376094.db2.gz UMIYOGSZJGTDEH-CYBMUJFWSA-N 1 2 286.291 2.043 20 5 CEBDLO CCC[C@]1([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])CCOC1 ZINC000339193823 284091756 /nfs/dbraw/zinc/09/17/56/284091756.db2.gz MUIVSONPKQEQEY-AWEZNQCLSA-N 1 2 280.324 2.349 20 5 CEBDLO CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)C(F)(F)F ZINC000185664300 368838829 /nfs/dbraw/zinc/83/88/29/368838829.db2.gz DZBBPTYCVIDFMV-NSHDSACASA-N 1 2 292.257 2.340 20 5 CEBDLO CC[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)C(F)(F)F ZINC000185664300 368838832 /nfs/dbraw/zinc/83/88/32/368838832.db2.gz DZBBPTYCVIDFMV-NSHDSACASA-N 1 2 292.257 2.340 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccon1 ZINC000349235021 369273119 /nfs/dbraw/zinc/27/31/19/369273119.db2.gz FQWNSSSIBFHGEY-SECBINFHSA-N 1 2 277.280 2.442 20 5 CEBDLO C[C@@H]1COCC[N@@H+]1CCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000352632558 369813118 /nfs/dbraw/zinc/81/31/18/369813118.db2.gz DZDOUDNIZKCRMZ-SNVBAGLBSA-N 1 2 299.758 2.381 20 5 CEBDLO C[C@@H]1COCC[N@H+]1CCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000352632558 369813124 /nfs/dbraw/zinc/81/31/24/369813124.db2.gz DZDOUDNIZKCRMZ-SNVBAGLBSA-N 1 2 299.758 2.381 20 5 CEBDLO C[C@@H]1COCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1Cl ZINC000352634381 369814676 /nfs/dbraw/zinc/81/46/76/369814676.db2.gz ZSHBXVOQUKNJIX-SNVBAGLBSA-N 1 2 299.758 2.381 20 5 CEBDLO C[C@@H]1COCC[N@H+]1CCNc1ccc([N+](=O)[O-])cc1Cl ZINC000352634381 369814679 /nfs/dbraw/zinc/81/46/79/369814679.db2.gz ZSHBXVOQUKNJIX-SNVBAGLBSA-N 1 2 299.758 2.381 20 5 CEBDLO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CCC[C@H]1O ZINC000352674834 369831239 /nfs/dbraw/zinc/83/12/39/369831239.db2.gz QOVZQRNBSHCKSJ-QWHCGFSZSA-N 1 2 286.278 2.218 20 5 CEBDLO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CCC[C@H]1O ZINC000352674834 369831242 /nfs/dbraw/zinc/83/12/42/369831242.db2.gz QOVZQRNBSHCKSJ-QWHCGFSZSA-N 1 2 286.278 2.218 20 5 CEBDLO CCn1ncnc1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000193528970 369952880 /nfs/dbraw/zinc/95/28/80/369952880.db2.gz AATYFNYTCIOCGN-NSHDSACASA-N 1 2 289.339 2.365 20 5 CEBDLO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)cn2cc[nH+]c12 ZINC000355455978 370559233 /nfs/dbraw/zinc/55/92/33/370559233.db2.gz ZRRKAFVNHJMYTA-UHFFFAOYSA-N 1 2 285.263 2.131 20 5 CEBDLO Cn1ccnc1[C@H]([NH2+]C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000353456739 220093116 /nfs/dbraw/zinc/09/31/16/220093116.db2.gz WTYVXDWBFACMQI-CYBMUJFWSA-N 1 2 272.308 2.170 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@H](C3CC3)C2)cc1 ZINC000372468340 374136225 /nfs/dbraw/zinc/13/62/25/374136225.db2.gz FUXNDLHXDTVMMY-AWEZNQCLSA-N 1 2 262.309 2.206 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@H](C3CC3)C2)cc1 ZINC000372468340 374136231 /nfs/dbraw/zinc/13/62/31/374136231.db2.gz FUXNDLHXDTVMMY-AWEZNQCLSA-N 1 2 262.309 2.206 20 5 CEBDLO Cc1[nH+]c[nH]c1CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000380170934 375160118 /nfs/dbraw/zinc/16/01/18/375160118.db2.gz KDHFNQDJBMMERU-SECBINFHSA-N 1 2 288.307 2.046 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000408070508 375401590 /nfs/dbraw/zinc/40/15/90/375401590.db2.gz NMDOZKDVFYKFCM-HUUCEWRRSA-N 1 2 292.335 2.444 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000408070508 375401596 /nfs/dbraw/zinc/40/15/96/375401596.db2.gz NMDOZKDVFYKFCM-HUUCEWRRSA-N 1 2 292.335 2.444 20 5 CEBDLO C[C@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC[C@H]1O ZINC000413253133 375775843 /nfs/dbraw/zinc/77/58/43/375775843.db2.gz UFQLSUNRPRWNLQ-IINYFYTJSA-N 1 2 287.319 2.350 20 5 CEBDLO C[C@H]([C@H](C)Nc1ccc(F)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000264289238 190101269 /nfs/dbraw/zinc/10/12/69/190101269.db2.gz QAYNKGXBUYOCCY-WDEREUQCSA-N 1 2 297.330 2.255 20 5 CEBDLO COCC[C@H]1COCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000291160817 377098801 /nfs/dbraw/zinc/09/88/01/377098801.db2.gz CIWPPZKXECVVNI-HNNXBMFYSA-N 1 2 294.351 2.141 20 5 CEBDLO COCC[C@H]1COCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000291160817 377098812 /nfs/dbraw/zinc/09/88/12/377098812.db2.gz CIWPPZKXECVVNI-HNNXBMFYSA-N 1 2 294.351 2.141 20 5 CEBDLO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330444424 377135385 /nfs/dbraw/zinc/13/53/85/377135385.db2.gz CFWASKKAZJSOFM-ZETOZRRWSA-N 1 2 294.351 2.282 20 5 CEBDLO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330444424 377135388 /nfs/dbraw/zinc/13/53/88/377135388.db2.gz CFWASKKAZJSOFM-ZETOZRRWSA-N 1 2 294.351 2.282 20 5 CEBDLO C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCS1 ZINC000332216278 377543504 /nfs/dbraw/zinc/54/35/04/377543504.db2.gz KROUNMBJALPMGJ-SECBINFHSA-N 1 2 292.364 2.408 20 5 CEBDLO C[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCS1 ZINC000332216278 377543508 /nfs/dbraw/zinc/54/35/08/377543508.db2.gz KROUNMBJALPMGJ-SECBINFHSA-N 1 2 292.364 2.408 20 5 CEBDLO Cc1c(C[N@@H+]2CCc3cncnc3C2)cccc1[N+](=O)[O-] ZINC000332491933 377622524 /nfs/dbraw/zinc/62/25/24/377622524.db2.gz ASACVDUPLGGPIA-UHFFFAOYSA-N 1 2 284.319 2.252 20 5 CEBDLO Cc1c(C[N@H+]2CCc3cncnc3C2)cccc1[N+](=O)[O-] ZINC000332491933 377622527 /nfs/dbraw/zinc/62/25/27/377622527.db2.gz ASACVDUPLGGPIA-UHFFFAOYSA-N 1 2 284.319 2.252 20 5 CEBDLO C=Cn1cc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC000447746220 378134371 /nfs/dbraw/zinc/13/43/71/378134371.db2.gz ONELGFJTDAKGHI-UHFFFAOYSA-N 1 2 284.319 2.450 20 5 CEBDLO C=Cn1cc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC000447746220 378134377 /nfs/dbraw/zinc/13/43/77/378134377.db2.gz ONELGFJTDAKGHI-UHFFFAOYSA-N 1 2 284.319 2.450 20 5 CEBDLO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C1COC1 ZINC000296067371 378408811 /nfs/dbraw/zinc/40/88/11/378408811.db2.gz PSFAASQDOMNHCH-UHFFFAOYSA-N 1 2 268.288 2.343 20 5 CEBDLO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C1COC1 ZINC000296067371 378408816 /nfs/dbraw/zinc/40/88/16/378408816.db2.gz PSFAASQDOMNHCH-UHFFFAOYSA-N 1 2 268.288 2.343 20 5 CEBDLO Cc1nnc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)o1 ZINC000543546787 380327209 /nfs/dbraw/zinc/32/72/09/380327209.db2.gz XTYCJKCYFCGUPM-SECBINFHSA-N 1 2 276.296 2.445 20 5 CEBDLO O=[N+]([O-])c1c2cccnc2ccc1N1CCn2c[nH+]cc2C1 ZINC000357551079 285080564 /nfs/dbraw/zinc/08/05/64/285080564.db2.gz RUROUZIJKWFGRG-UHFFFAOYSA-N 1 2 295.302 2.360 20 5 CEBDLO COCCCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413068595 394478433 /nfs/dbraw/zinc/47/84/33/394478433.db2.gz XNQAEWVRXXTRCI-UHFFFAOYSA-N 1 2 275.308 2.403 20 5 CEBDLO CC1(C)[C@@H](O)CC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000361406931 394826904 /nfs/dbraw/zinc/82/69/04/394826904.db2.gz BRHULXLHQWGXNH-LBPRGKRZSA-N 1 2 286.278 2.218 20 5 CEBDLO CC1(C)[C@@H](O)CC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000361406931 394826907 /nfs/dbraw/zinc/82/69/07/394826907.db2.gz BRHULXLHQWGXNH-LBPRGKRZSA-N 1 2 286.278 2.218 20 5 CEBDLO C[C@H]1OCC[N@H+](Cc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000156190366 395031037 /nfs/dbraw/zinc/03/10/37/395031037.db2.gz HSSVGCOQNMOCMH-GHMZBOCLSA-N 1 2 250.298 2.204 20 5 CEBDLO C[C@H]1OCC[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000156190366 395031041 /nfs/dbraw/zinc/03/10/41/395031041.db2.gz HSSVGCOQNMOCMH-GHMZBOCLSA-N 1 2 250.298 2.204 20 5 CEBDLO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCn2ccnc21 ZINC000294299566 395271509 /nfs/dbraw/zinc/27/15/09/395271509.db2.gz ZSPCAPYOLKHONJ-LLVKDONJSA-N 1 2 258.281 2.026 20 5 CEBDLO Cn1c[nH+]cc1CNc1cc(F)cc([N+](=O)[O-])c1 ZINC000229545160 153377309 /nfs/dbraw/zinc/37/73/09/153377309.db2.gz JBRFYSGAJJFLJW-UHFFFAOYSA-N 1 2 250.233 2.080 20 5 CEBDLO C[C@@H]1CCOCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000374981175 157036081 /nfs/dbraw/zinc/03/60/81/157036081.db2.gz QIESEBWHONFRPR-SNVBAGLBSA-N 1 2 268.288 2.345 20 5 CEBDLO C[C@@H]1CCOCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000374981175 157036083 /nfs/dbraw/zinc/03/60/83/157036083.db2.gz QIESEBWHONFRPR-SNVBAGLBSA-N 1 2 268.288 2.345 20 5 CEBDLO Cc1nc(NC(=O)c2ccc3[nH+]ccn3c2)ccc1[N+](=O)[O-] ZINC000177665761 165202316 /nfs/dbraw/zinc/20/23/16/165202316.db2.gz RVGJQEIQMFQRAM-UHFFFAOYSA-N 1 2 297.274 2.198 20 5 CEBDLO C[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1cn[nH]c1 ZINC000285726557 196379637 /nfs/dbraw/zinc/37/96/37/196379637.db2.gz UCSARYFLJCTYTR-ZETCQYMHSA-N 1 2 282.250 2.447 20 5 CEBDLO CN(C)c1ccc(CNc2ccc([N+](=O)[O-])cn2)c[nH+]1 ZINC000046484211 175397141 /nfs/dbraw/zinc/39/71/41/175397141.db2.gz SMVLELBRGSTXOV-UHFFFAOYSA-N 1 2 273.296 2.063 20 5 CEBDLO Cc1nn(Cc2cn3cc(Cl)ccc3[nH+]2)cc1[N+](=O)[O-] ZINC000354922394 227236942 /nfs/dbraw/zinc/23/69/42/227236942.db2.gz RCQAPBIGPCEFRS-UHFFFAOYSA-N 1 2 291.698 2.449 20 5 CEBDLO CC(C)([NH2+]Cc1cnccn1)c1ccccc1[N+](=O)[O-] ZINC000517221511 260102776 /nfs/dbraw/zinc/10/27/76/260102776.db2.gz ZZLMZOYMOPPYFY-UHFFFAOYSA-N 1 2 272.308 2.410 20 5 CEBDLO Cc1cc(C)c(CNc2ccc([N+](=O)[O-])c(C)n2)c[nH+]1 ZINC000397083351 270351376 /nfs/dbraw/zinc/35/13/76/270351376.db2.gz IBFHTAFQXHCUKN-UHFFFAOYSA-N 1 2 272.308 2.344 20 5 CEBDLO CC(=O)N1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182628367 278044118 /nfs/dbraw/zinc/04/41/18/278044118.db2.gz URPTXFRDPPPJCF-GFCCVEGCSA-N 1 2 291.351 2.128 20 5 CEBDLO Cc1cn2c([nH+]1)[C@H](CNc1ccc([N+](=O)[O-])nc1)CCC2 ZINC000443881224 281550897 /nfs/dbraw/zinc/55/08/97/281550897.db2.gz HIWLPWBQHCEIIE-NSHDSACASA-N 1 2 287.323 2.484 20 5 CEBDLO Cc1cc(C)c([N+](=O)[O-])c(NCc2ccc(N)[nH+]c2)n1 ZINC000444832764 281651951 /nfs/dbraw/zinc/65/19/51/281651951.db2.gz AGADWQZBJFRMOD-UHFFFAOYSA-N 1 2 273.296 2.026 20 5 CEBDLO Cc1ccn2cc(CNc3ncc([N+](=O)[O-])s3)[nH+]c2c1 ZINC000472345397 290295259 /nfs/dbraw/zinc/29/52/59/290295259.db2.gz MTLAUINVPYXXIV-UHFFFAOYSA-N 1 2 289.320 2.041 20 5 CEBDLO O=c1ccn(CCCc2[nH]c3ccccc3[nH+]2)cc1[N+](=O)[O-] ZINC000562375713 298681345 /nfs/dbraw/zinc/68/13/45/298681345.db2.gz ODGFVFZLNPQURN-UHFFFAOYSA-N 1 2 298.302 2.266 20 5 CEBDLO CC(C)[N@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1ccccn1 ZINC000531342452 313322732 /nfs/dbraw/zinc/32/27/32/313322732.db2.gz VBDKIYBRMRTIMB-UHFFFAOYSA-N 1 2 289.339 2.134 20 5 CEBDLO CC(C)[N@@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1ccccn1 ZINC000531342452 313322736 /nfs/dbraw/zinc/32/27/36/313322736.db2.gz VBDKIYBRMRTIMB-UHFFFAOYSA-N 1 2 289.339 2.134 20 5 CEBDLO C[C@]1(O)CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000571174060 314076290 /nfs/dbraw/zinc/07/62/90/314076290.db2.gz MQMLRQQZWJSQHJ-HNNXBMFYSA-N 1 2 287.319 2.494 20 5 CEBDLO CN(Cc1[nH]cc[nH+]1)c1ccc([N+](=O)[O-])cc1F ZINC000735832437 574768057 /nfs/dbraw/zinc/76/80/57/574768057.db2.gz HDQTVNBTZPSONY-UHFFFAOYSA-N 1 2 250.233 2.093 20 5 CEBDLO CCc1nnc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)[nH]1 ZINC000824446496 635429832 /nfs/dbraw/zinc/42/98/32/635429832.db2.gz YFBBMNZYGAMPDM-UHFFFAOYSA-N 1 2 295.730 2.219 20 5 CEBDLO Cc1[nH+]cn(-c2ccc(NCC[N+](=O)[O-])cc2)c1C ZINC000905340032 636238532 /nfs/dbraw/zinc/23/85/32/636238532.db2.gz SWVIPIQFFVUUJI-UHFFFAOYSA-N 1 2 260.297 2.178 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCO[C@@H](C)C1 ZINC000876558442 650326211 /nfs/dbraw/zinc/32/62/11/650326211.db2.gz RCXRMYXJJSCAIY-NSHDSACASA-N 1 2 264.325 2.432 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCO[C@@H](C)C1 ZINC000876558442 650326212 /nfs/dbraw/zinc/32/62/12/650326212.db2.gz RCXRMYXJJSCAIY-NSHDSACASA-N 1 2 264.325 2.432 20 5 CEBDLO CC(C)C1CC[NH+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000172955314 639829122 /nfs/dbraw/zinc/82/91/22/639829122.db2.gz LHVMPXXQWXMVHL-UHFFFAOYSA-N 1 2 252.318 2.117 20 5 CEBDLO Cc1nn(C[N@@H+]2CC[C@]3(CC3(F)F)C2)c(C)c1[N+](=O)[O-] ZINC000844760348 640829660 /nfs/dbraw/zinc/82/96/60/640829660.db2.gz QIWCAWNBPUSUGN-NSHDSACASA-N 1 2 286.282 2.097 20 5 CEBDLO Cc1nn(C[N@H+]2CC[C@]3(CC3(F)F)C2)c(C)c1[N+](=O)[O-] ZINC000844760348 640829664 /nfs/dbraw/zinc/82/96/64/640829664.db2.gz QIWCAWNBPUSUGN-NSHDSACASA-N 1 2 286.282 2.097 20 5 CEBDLO CC(C)(CCC(=O)Nc1ccn2cc[nH+]c2c1)[N+](=O)[O-] ZINC000839359382 644215096 /nfs/dbraw/zinc/21/50/96/644215096.db2.gz JIQHCAPNSULOOJ-UHFFFAOYSA-N 1 2 276.296 2.108 20 5 CEBDLO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)OCCn1cc[nH+]c1 ZINC000763114261 645507043 /nfs/dbraw/zinc/50/70/43/645507043.db2.gz GQGBFXPKISKSKO-UTCJRWHESA-N 1 2 287.275 2.048 20 5 CEBDLO Cc1ccc([C@H]2CSCC[N@@H+]2CC[N+](=O)[O-])cc1 ZINC000791051426 648476478 /nfs/dbraw/zinc/47/64/78/648476478.db2.gz CUFLXJZYJNHIKE-CYBMUJFWSA-N 1 2 266.366 2.362 20 5 CEBDLO Cc1ccc([C@H]2CSCC[N@H+]2CC[N+](=O)[O-])cc1 ZINC000791051426 648476479 /nfs/dbraw/zinc/47/64/79/648476479.db2.gz CUFLXJZYJNHIKE-CYBMUJFWSA-N 1 2 266.366 2.362 20 5 CEBDLO CCN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872066812 649260831 /nfs/dbraw/zinc/26/08/31/649260831.db2.gz QUYCQSFCFZMLCH-VHSXEESVSA-N 1 2 297.330 2.251 20 5 CEBDLO Cc1nonc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000872135289 649288173 /nfs/dbraw/zinc/28/81/73/649288173.db2.gz DPVVOSRUNYVGEB-SECBINFHSA-N 1 2 276.296 2.445 20 5 CEBDLO CCO[C@H]1C[C@@H]([N@H+](C)Cn2nccc2[N+](=O)[O-])C12CCC2 ZINC000127254076 651151495 /nfs/dbraw/zinc/15/14/95/651151495.db2.gz FQGIVYYRLAWCSY-NEPJUHHUSA-N 1 2 294.355 2.028 20 5 CEBDLO CCO[C@H]1C[C@@H]([N@@H+](C)Cn2nccc2[N+](=O)[O-])C12CCC2 ZINC000127254076 651151497 /nfs/dbraw/zinc/15/14/97/651151497.db2.gz FQGIVYYRLAWCSY-NEPJUHHUSA-N 1 2 294.355 2.028 20 5 CEBDLO Cc1cn(C)nc1C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000723483516 802873536 /nfs/dbraw/zinc/87/35/36/802873536.db2.gz KDBKVLWADAPFLQ-NSHDSACASA-N 1 2 274.324 2.488 20 5 CEBDLO C[C@@H](c1nnc(C[NH+](C)C)o1)c1cccc([N+](=O)[O-])c1 ZINC001118372389 815007566 /nfs/dbraw/zinc/00/75/66/815007566.db2.gz VIESAZJJRKTEKA-SECBINFHSA-N 1 2 276.296 2.191 20 5 CEBDLO CCOC1C[NH+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170327784 812387101 /nfs/dbraw/zinc/38/71/01/812387101.db2.gz HRUBJBGXZMACGB-LLVKDONJSA-N 1 2 294.351 2.255 20 5 CEBDLO COC(=O)[C@@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001173212608 815635516 /nfs/dbraw/zinc/63/55/16/815635516.db2.gz BMOOPZGWCIPZLZ-FZMZJTMJSA-N 1 2 294.351 2.313 20 5 CEBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2nccn2C(F)F)cc1 ZINC000037668601 361920952 /nfs/dbraw/zinc/92/09/52/361920952.db2.gz SJMWGGIPZSEXDP-UHFFFAOYSA-N 1 2 282.250 2.476 20 5 CEBDLO C[C@H]1C[N@H+](CCSc2cccc([N+](=O)[O-])c2)CCO1 ZINC000337918483 214312227 /nfs/dbraw/zinc/31/22/27/214312227.db2.gz VBXMVPMTYRCCDM-NSHDSACASA-N 1 2 282.365 2.408 20 5 CEBDLO C[C@H]1C[N@@H+](CCSc2cccc([N+](=O)[O-])c2)CCO1 ZINC000337918483 214312230 /nfs/dbraw/zinc/31/22/30/214312230.db2.gz VBXMVPMTYRCCDM-NSHDSACASA-N 1 2 282.365 2.408 20 5 CEBDLO CCC[C@H]([NH2+]Cc1nncn1C)c1cccc([N+](=O)[O-])c1 ZINC000038007700 361979034 /nfs/dbraw/zinc/97/90/34/361979034.db2.gz GKSNUCYGXQUVLY-ZDUSSCGKSA-N 1 2 289.339 2.354 20 5 CEBDLO Cn1cc(C[N@@H+]2CCC[C@@H]2c2ccccn2)c([N+](=O)[O-])n1 ZINC000602442320 347034540 /nfs/dbraw/zinc/03/45/40/347034540.db2.gz LTWLJGDPNZYKBJ-CYBMUJFWSA-N 1 2 287.323 2.060 20 5 CEBDLO Cn1cc(C[N@H+]2CCC[C@@H]2c2ccccn2)c([N+](=O)[O-])n1 ZINC000602442320 347034544 /nfs/dbraw/zinc/03/45/44/347034544.db2.gz LTWLJGDPNZYKBJ-CYBMUJFWSA-N 1 2 287.323 2.060 20 5 CEBDLO Cc1cc([N+](=O)[O-])cnc1NC[C@@H](C)Cn1cc[nH+]c1 ZINC000092612547 344196680 /nfs/dbraw/zinc/19/66/80/344196680.db2.gz RUZWRJBQKXKEIZ-SNVBAGLBSA-N 1 2 275.312 2.243 20 5 CEBDLO CC1(C)COCC[N@@H+]1CCNc1ccc(F)cc1[N+](=O)[O-] ZINC000170869526 344491883 /nfs/dbraw/zinc/49/18/83/344491883.db2.gz BRXFDUPULGEMKS-UHFFFAOYSA-N 1 2 297.330 2.257 20 5 CEBDLO CC1(C)COCC[N@H+]1CCNc1ccc(F)cc1[N+](=O)[O-] ZINC000170869526 344491885 /nfs/dbraw/zinc/49/18/85/344491885.db2.gz BRXFDUPULGEMKS-UHFFFAOYSA-N 1 2 297.330 2.257 20 5 CEBDLO C[C@H](C(=O)N(C)Cc1[nH]cc[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000235423695 344591060 /nfs/dbraw/zinc/59/10/60/344591060.db2.gz OSQGPFXVWWDRSF-JTQLQIEISA-N 1 2 288.307 2.080 20 5 CEBDLO C[C@H]([C@H](C)O)n1cc[nH+]c1-c1ccc([N+](=O)[O-])cc1 ZINC000268064581 344664070 /nfs/dbraw/zinc/66/40/70/344664070.db2.gz WQZHZXVXHHABOX-ZJUUUORDSA-N 1 2 261.281 2.400 20 5 CEBDLO CCn1cc[nH+]c1CNc1sccc1[N+](=O)[O-] ZINC000590712722 345166557 /nfs/dbraw/zinc/16/65/57/345166557.db2.gz JGSLCDUBTSEMMY-UHFFFAOYSA-N 1 2 252.299 2.485 20 5 CEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N[C@H](CO)CCF)c2c1 ZINC000593508571 345500552 /nfs/dbraw/zinc/50/05/52/345500552.db2.gz HWISJXYMLLZPEA-JTQLQIEISA-N 1 2 279.271 2.275 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000595548271 345808957 /nfs/dbraw/zinc/80/89/57/345808957.db2.gz VABMJVKDMMVHGM-VIFPVBQESA-N 1 2 292.295 2.185 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000595548271 345808961 /nfs/dbraw/zinc/80/89/61/345808961.db2.gz VABMJVKDMMVHGM-VIFPVBQESA-N 1 2 292.295 2.185 20 5 CEBDLO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595559640 345812839 /nfs/dbraw/zinc/81/28/39/345812839.db2.gz SZCBPZIXVBGESC-SNVBAGLBSA-N 1 2 283.328 2.281 20 5 CEBDLO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595559640 345812840 /nfs/dbraw/zinc/81/28/40/345812840.db2.gz SZCBPZIXVBGESC-SNVBAGLBSA-N 1 2 283.328 2.281 20 5 CEBDLO Cc1noc(C[N@@H+](C)[C@@H](C)c2ccncc2)c1[N+](=O)[O-] ZINC000595393340 345773447 /nfs/dbraw/zinc/77/34/47/345773447.db2.gz YWMPMIHZDKTFEA-JTQLQIEISA-N 1 2 276.296 2.479 20 5 CEBDLO Cc1noc(C[N@H+](C)[C@@H](C)c2ccncc2)c1[N+](=O)[O-] ZINC000595393340 345773452 /nfs/dbraw/zinc/77/34/52/345773452.db2.gz YWMPMIHZDKTFEA-JTQLQIEISA-N 1 2 276.296 2.479 20 5 CEBDLO Cc1noc(C[NH2+][C@@H](C)c2cccnc2)c1[N+](=O)[O-] ZINC000595410810 345776090 /nfs/dbraw/zinc/77/60/90/345776090.db2.gz WLPYRFCECNZBDU-QMMMGPOBSA-N 1 2 262.269 2.137 20 5 CEBDLO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@H](O)C(F)(F)F ZINC000595424649 345779024 /nfs/dbraw/zinc/77/90/24/345779024.db2.gz XCIIBRFYNFBGTK-JTQLQIEISA-N 1 2 296.220 2.089 20 5 CEBDLO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@H](O)C(F)(F)F ZINC000595424649 345779026 /nfs/dbraw/zinc/77/90/26/345779026.db2.gz XCIIBRFYNFBGTK-JTQLQIEISA-N 1 2 296.220 2.089 20 5 CEBDLO COC(=O)C12CC(C1)C[N@@H+]2Cc1cccc([N+](=O)[O-])c1C ZINC000595678859 345846568 /nfs/dbraw/zinc/84/65/68/345846568.db2.gz YVONRVNNRGWGGP-UHFFFAOYSA-N 1 2 290.319 2.041 20 5 CEBDLO COC(=O)C12CC(C1)C[N@H+]2Cc1cccc([N+](=O)[O-])c1C ZINC000595678859 345846573 /nfs/dbraw/zinc/84/65/73/345846573.db2.gz YVONRVNNRGWGGP-UHFFFAOYSA-N 1 2 290.319 2.041 20 5 CEBDLO C[C@H](Nc1nc2sccn2c1[N+](=O)[O-])c1[nH+]ccn1C ZINC000596543914 346051118 /nfs/dbraw/zinc/05/11/18/346051118.db2.gz PRFYMKWDEGUCKH-ZETCQYMHSA-N 1 2 292.324 2.211 20 5 CEBDLO Cc1c(C(=O)N[C@@H](C)c2[nH+]ccn2C)cccc1[N+](=O)[O-] ZINC000598459677 346360404 /nfs/dbraw/zinc/36/04/04/346360404.db2.gz LCZXRWZIYCDNEO-JTQLQIEISA-N 1 2 288.307 2.128 20 5 CEBDLO CC(C)(CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-])C(N)=O ZINC000599026791 346448291 /nfs/dbraw/zinc/44/82/91/346448291.db2.gz ZZZATYPJRKIJIA-UHFFFAOYSA-N 1 2 288.307 2.066 20 5 CEBDLO Cc1ccc(C[N@@H+]2CCc3n[nH]cc3C2)cc1[N+](=O)[O-] ZINC000598942092 346435100 /nfs/dbraw/zinc/43/51/00/346435100.db2.gz MIBHRUPNKDQXOG-UHFFFAOYSA-N 1 2 272.308 2.185 20 5 CEBDLO Cc1ccc(C[N@H+]2CCc3n[nH]cc3C2)cc1[N+](=O)[O-] ZINC000598942092 346435103 /nfs/dbraw/zinc/43/51/03/346435103.db2.gz MIBHRUPNKDQXOG-UHFFFAOYSA-N 1 2 272.308 2.185 20 5 CEBDLO COCCN(C)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599025553 346448318 /nfs/dbraw/zinc/44/83/18/346448318.db2.gz BZKOPRWGVFPQTG-UHFFFAOYSA-N 1 2 261.281 2.226 20 5 CEBDLO COC(=O)[C@H](C)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599037663 346450403 /nfs/dbraw/zinc/45/04/03/346450403.db2.gz KHMWMEOTGJDKIY-SECBINFHSA-N 1 2 289.291 2.364 20 5 CEBDLO CN(C[C@H](O)C1CC1)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599059477 346453684 /nfs/dbraw/zinc/45/36/84/346453684.db2.gz AWJQNZMVSADXNR-AWEZNQCLSA-N 1 2 287.319 2.350 20 5 CEBDLO C[C@@H](O)[C@@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599065472 346454056 /nfs/dbraw/zinc/45/40/56/346454056.db2.gz LSUGKLRNMNLEMO-ZYHUDNBSSA-N 1 2 287.319 2.350 20 5 CEBDLO C[C@H](O)[C@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599065465 346454395 /nfs/dbraw/zinc/45/43/95/346454395.db2.gz LSUGKLRNMNLEMO-JQWIXIFHSA-N 1 2 287.319 2.350 20 5 CEBDLO Cc1c[nH]c(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000600160457 346609922 /nfs/dbraw/zinc/60/99/22/346609922.db2.gz SJBVJQPUXSFQJZ-UHFFFAOYSA-N 1 2 274.324 2.301 20 5 CEBDLO Cc1c[nH]c(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000600160457 346609923 /nfs/dbraw/zinc/60/99/23/346609923.db2.gz SJBVJQPUXSFQJZ-UHFFFAOYSA-N 1 2 274.324 2.301 20 5 CEBDLO C[C@@](CO)([NH2+]Cc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000601148576 346769876 /nfs/dbraw/zinc/76/98/76/346769876.db2.gz DKYVJGIVPLVPHY-AWEZNQCLSA-N 1 2 276.292 2.185 20 5 CEBDLO C[C@@H](CNc1ncc(F)cc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000601105701 346753892 /nfs/dbraw/zinc/75/38/92/346753892.db2.gz MMPYKLXCPNHRJX-VIFPVBQESA-N 1 2 279.275 2.074 20 5 CEBDLO C[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1cccc(F)c1F ZINC000602803591 347206007 /nfs/dbraw/zinc/20/60/07/347206007.db2.gz DDNLNZFJGCHVBD-MRVPVSSYSA-N 1 2 296.277 2.457 20 5 CEBDLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000602848403 347223546 /nfs/dbraw/zinc/22/35/46/347223546.db2.gz NFFHYVLFTNCTGN-GRYCIOLGSA-N 1 2 291.351 2.034 20 5 CEBDLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000602848403 347223549 /nfs/dbraw/zinc/22/35/49/347223549.db2.gz NFFHYVLFTNCTGN-GRYCIOLGSA-N 1 2 291.351 2.034 20 5 CEBDLO Cc1cc(N2CCn3cc[nH+]c3C2)ccc1[N+](=O)[O-] ZINC000609508056 347641000 /nfs/dbraw/zinc/64/10/00/347641000.db2.gz NADCKULPXGLFHG-UHFFFAOYSA-N 1 2 258.281 2.120 20 5 CEBDLO Cc1cn2c([nH+]1)CN(c1sccc1[N+](=O)[O-])CC2 ZINC000611764324 347815327 /nfs/dbraw/zinc/81/53/27/347815327.db2.gz UWEXEGAVTKOYRX-UHFFFAOYSA-N 1 2 264.310 2.181 20 5 CEBDLO CC(C)c1ccc(C[NH2+]Cc2cn(C)nn2)cc1[N+](=O)[O-] ZINC000611931343 347826597 /nfs/dbraw/zinc/82/65/97/347826597.db2.gz NXCQHPJZTUFTKF-UHFFFAOYSA-N 1 2 289.339 2.137 20 5 CEBDLO Cc1c(CNc2[nH+]cnc3c2cnn3C)cccc1[N+](=O)[O-] ZINC000336864394 365929906 /nfs/dbraw/zinc/92/99/06/365929906.db2.gz RQMITOWBFWGKFC-UHFFFAOYSA-N 1 2 298.306 2.192 20 5 CEBDLO COc1cc(C[N@@H+]2CCCOC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000613383056 348036346 /nfs/dbraw/zinc/03/63/46/348036346.db2.gz OYXFIVHTPBTXPR-SNVBAGLBSA-N 1 2 298.314 2.353 20 5 CEBDLO COc1cc(C[N@H+]2CCCOC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000613383056 348036350 /nfs/dbraw/zinc/03/63/50/348036350.db2.gz OYXFIVHTPBTXPR-SNVBAGLBSA-N 1 2 298.314 2.353 20 5 CEBDLO CC(C)(NC(=O)c1ccc([N+](=O)[O-])s1)c1[nH]cc[nH+]1 ZINC000568772157 299153124 /nfs/dbraw/zinc/15/31/24/299153124.db2.gz NQFZDFCQSXJLNX-UHFFFAOYSA-N 1 2 280.309 2.045 20 5 CEBDLO COc1cc(C[N@@H+]2CCO[C@H]3CCC[C@H]32)ccc1[N+](=O)[O-] ZINC000351984922 219274328 /nfs/dbraw/zinc/27/43/28/219274328.db2.gz OVYNVQGVAPUMBC-OCCSQVGLSA-N 1 2 292.335 2.357 20 5 CEBDLO COc1cc(C[N@H+]2CCO[C@H]3CCC[C@H]32)ccc1[N+](=O)[O-] ZINC000351984922 219274331 /nfs/dbraw/zinc/27/43/31/219274331.db2.gz OVYNVQGVAPUMBC-OCCSQVGLSA-N 1 2 292.335 2.357 20 5 CEBDLO O=C(C=Cc1c[nH]c[nH+]1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000493667485 290889301 /nfs/dbraw/zinc/88/93/01/290889301.db2.gz XOMPIAMVBLYJMS-OWOJBTEDSA-N 1 2 276.227 2.109 20 5 CEBDLO CCCc1[nH]nc(C(=O)Nc2cc[nH+]cc2C)c1[N+](=O)[O-] ZINC000109688979 186269262 /nfs/dbraw/zinc/26/92/62/186269262.db2.gz ZWNRNBWXPQXWQJ-UHFFFAOYSA-N 1 2 289.295 2.226 20 5 CEBDLO COc1cc(N[C@@H](C)Cn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000111048468 186348680 /nfs/dbraw/zinc/34/86/80/186348680.db2.gz IRALVXYUVIGNDW-JTQLQIEISA-N 1 2 276.296 2.301 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000570823622 299278806 /nfs/dbraw/zinc/27/88/06/299278806.db2.gz HQLZRAAIXRQZMI-SNVBAGLBSA-N 1 2 288.307 2.444 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000570823622 299278809 /nfs/dbraw/zinc/27/88/09/299278809.db2.gz HQLZRAAIXRQZMI-SNVBAGLBSA-N 1 2 288.307 2.444 20 5 CEBDLO C[N@@H+]1CCO[C@@H](CSc2ccc([N+](=O)[O-])cc2F)C1 ZINC000578066252 366438699 /nfs/dbraw/zinc/43/86/99/366438699.db2.gz LSZXUURXMCBZBB-SNVBAGLBSA-N 1 2 286.328 2.157 20 5 CEBDLO C[N@H+]1CCO[C@@H](CSc2ccc([N+](=O)[O-])cc2F)C1 ZINC000578066252 366438709 /nfs/dbraw/zinc/43/87/09/366438709.db2.gz LSZXUURXMCBZBB-SNVBAGLBSA-N 1 2 286.328 2.157 20 5 CEBDLO CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1[nH]cc[nH+]1 ZINC000140569320 366561287 /nfs/dbraw/zinc/56/12/87/366561287.db2.gz RBRLLWXKCNWYKV-LLVKDONJSA-N 1 2 292.270 2.338 20 5 CEBDLO Cc1c(C(=O)N[C@H](C)c2[nH]cc[nH+]2)cccc1[N+](=O)[O-] ZINC000140927912 366564923 /nfs/dbraw/zinc/56/49/23/366564923.db2.gz FWUQSIJGGABYPD-SECBINFHSA-N 1 2 274.280 2.117 20 5 CEBDLO C[C@H](CO)[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC1CCC1 ZINC000339145096 366676289 /nfs/dbraw/zinc/67/62/89/366676289.db2.gz JRKJFHXLRHBEBH-LLVKDONJSA-N 1 2 294.351 2.283 20 5 CEBDLO C[C@H](CO)[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC1CCC1 ZINC000339145096 366676293 /nfs/dbraw/zinc/67/62/93/366676293.db2.gz JRKJFHXLRHBEBH-LLVKDONJSA-N 1 2 294.351 2.283 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000015254612 361467415 /nfs/dbraw/zinc/46/74/15/361467415.db2.gz HDRNXCCFQADXON-GHMZBOCLSA-N 1 2 280.324 2.213 20 5 CEBDLO CCc1nnc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000184622076 189391321 /nfs/dbraw/zinc/39/13/21/189391321.db2.gz FEBUZLBILIRNFP-VIFPVBQESA-N 1 2 275.312 2.126 20 5 CEBDLO CN(Cc1[nH+]ccn1C)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000301950637 201274017 /nfs/dbraw/zinc/27/40/17/201274017.db2.gz ZODIBKUGQXBGRE-UHFFFAOYSA-N 1 2 281.703 2.013 20 5 CEBDLO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ncn(C)n1 ZINC000275510351 193062977 /nfs/dbraw/zinc/06/29/77/193062977.db2.gz HTSIIABVEYILJJ-VHSXEESVSA-N 1 2 275.312 2.135 20 5 CEBDLO C[C@]([NH2+]Cc1ccc([N+](=O)[O-])cc1)(C(N)=O)c1ccccc1 ZINC000120008901 365360093 /nfs/dbraw/zinc/36/00/93/365360093.db2.gz KYDJARKTYHONRY-MRXNPFEDSA-N 1 2 299.330 2.085 20 5 CEBDLO COC[C@H]1C[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000245537859 370835344 /nfs/dbraw/zinc/83/53/44/370835344.db2.gz YUOCLUJMTPWAQI-TZMCWYRMSA-N 1 2 294.351 2.311 20 5 CEBDLO COC[C@H]1C[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000245537859 370835347 /nfs/dbraw/zinc/83/53/47/370835347.db2.gz YUOCLUJMTPWAQI-TZMCWYRMSA-N 1 2 294.351 2.311 20 5 CEBDLO Cn1cc[nH+]c1[C@H](Nc1ncc([N+](=O)[O-])s1)C1CC1 ZINC000343266448 367732278 /nfs/dbraw/zinc/73/22/78/367732278.db2.gz DKKNUSAOHBHBNJ-SECBINFHSA-N 1 2 279.325 2.348 20 5 CEBDLO CCNC(=O)C[N@H+](CC)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000174815907 368070335 /nfs/dbraw/zinc/07/03/35/368070335.db2.gz RNFSIHMRGSMQNT-UHFFFAOYSA-N 1 2 299.758 2.206 20 5 CEBDLO CCNC(=O)C[N@@H+](CC)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000174815907 368070341 /nfs/dbraw/zinc/07/03/41/368070341.db2.gz RNFSIHMRGSMQNT-UHFFFAOYSA-N 1 2 299.758 2.206 20 5 CEBDLO CCN1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C(C)(C)C1=O ZINC000186546631 368993283 /nfs/dbraw/zinc/99/32/83/368993283.db2.gz FVLJALJKYPNJMH-UHFFFAOYSA-N 1 2 291.351 2.038 20 5 CEBDLO CCN1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C(C)(C)C1=O ZINC000186546631 368993289 /nfs/dbraw/zinc/99/32/89/368993289.db2.gz FVLJALJKYPNJMH-UHFFFAOYSA-N 1 2 291.351 2.038 20 5 CEBDLO COc1cc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000351984918 369658810 /nfs/dbraw/zinc/65/88/10/369658810.db2.gz OVYNVQGVAPUMBC-GXTWGEPZSA-N 1 2 292.335 2.357 20 5 CEBDLO COc1cc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000351984918 369658812 /nfs/dbraw/zinc/65/88/12/369658812.db2.gz OVYNVQGVAPUMBC-GXTWGEPZSA-N 1 2 292.335 2.357 20 5 CEBDLO COC(=O)[C@@H](C)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000193101590 369893019 /nfs/dbraw/zinc/89/30/19/369893019.db2.gz QUBYXPNHFHDIDV-GHMZBOCLSA-N 1 2 280.324 2.067 20 5 CEBDLO COC1(C)C[NH+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000362311614 372308646 /nfs/dbraw/zinc/30/86/46/372308646.db2.gz CANLAPRFVXOZLW-FNORWQNLSA-N 1 2 262.309 2.329 20 5 CEBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000368888452 373285042 /nfs/dbraw/zinc/28/50/42/373285042.db2.gz KXROZBZXUIRRFF-HNNXBMFYSA-N 1 2 292.335 2.084 20 5 CEBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCO[C@H](C2CC2)C1 ZINC000368888452 373285048 /nfs/dbraw/zinc/28/50/48/373285048.db2.gz KXROZBZXUIRRFF-HNNXBMFYSA-N 1 2 292.335 2.084 20 5 CEBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCOC1 ZINC000272789785 373657345 /nfs/dbraw/zinc/65/73/45/373657345.db2.gz JCRHZUNDGDCRET-LLVKDONJSA-N 1 2 270.716 2.469 20 5 CEBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCOC1 ZINC000272789785 373657355 /nfs/dbraw/zinc/65/73/55/373657355.db2.gz JCRHZUNDGDCRET-LLVKDONJSA-N 1 2 270.716 2.469 20 5 CEBDLO Cc1cn2c([nH+]1)CN(Cc1ccc([N+](=O)[O-])cc1C)CC2 ZINC000371899005 374000474 /nfs/dbraw/zinc/00/04/74/374000474.db2.gz KHRCUFZTHXIVRE-UHFFFAOYSA-N 1 2 286.335 2.424 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@@H](C3CC3)C2)cc1 ZINC000372468341 374135167 /nfs/dbraw/zinc/13/51/67/374135167.db2.gz FUXNDLHXDTVMMY-CQSZACIVSA-N 1 2 262.309 2.206 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@@H](C3CC3)C2)cc1 ZINC000372468341 374135177 /nfs/dbraw/zinc/13/51/77/374135177.db2.gz FUXNDLHXDTVMMY-CQSZACIVSA-N 1 2 262.309 2.206 20 5 CEBDLO CC(C)OC[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000373490247 374364721 /nfs/dbraw/zinc/36/47/21/374364721.db2.gz POMNLNGPCDVSGE-CQSZACIVSA-N 1 2 294.351 2.221 20 5 CEBDLO CC(C)OC[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000373490247 374364725 /nfs/dbraw/zinc/36/47/25/374364725.db2.gz POMNLNGPCDVSGE-CQSZACIVSA-N 1 2 294.351 2.221 20 5 CEBDLO C[C@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000280101227 375092008 /nfs/dbraw/zinc/09/20/08/375092008.db2.gz AMDMWVUBXHBTRC-GXFFZTMASA-N 1 2 298.364 2.036 20 5 CEBDLO C[C@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000280101227 375092013 /nfs/dbraw/zinc/09/20/13/375092013.db2.gz AMDMWVUBXHBTRC-GXFFZTMASA-N 1 2 298.364 2.036 20 5 CEBDLO CC[C@@H](C)[N@H+](CCO)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000287231515 376181378 /nfs/dbraw/zinc/18/13/78/376181378.db2.gz FZOAPLSPOVZWEE-SECBINFHSA-N 1 2 288.294 2.466 20 5 CEBDLO CC[C@@H](C)[N@@H+](CCO)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000287231515 376181383 /nfs/dbraw/zinc/18/13/83/376181383.db2.gz FZOAPLSPOVZWEE-SECBINFHSA-N 1 2 288.294 2.466 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC=C(C)CC1 ZINC000330458097 377141998 /nfs/dbraw/zinc/14/19/98/377141998.db2.gz HVNQNWQQBJLRBO-UHFFFAOYSA-N 1 2 289.335 2.494 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC=C(C)CC1 ZINC000330458097 377142005 /nfs/dbraw/zinc/14/20/05/377142005.db2.gz HVNQNWQQBJLRBO-UHFFFAOYSA-N 1 2 289.335 2.494 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC=C(C)CC1 ZINC000330457629 377142918 /nfs/dbraw/zinc/14/29/18/377142918.db2.gz HLNYLTJJLXEBPD-UHFFFAOYSA-N 1 2 289.335 2.494 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC=C(C)CC1 ZINC000330457629 377142931 /nfs/dbraw/zinc/14/29/31/377142931.db2.gz HLNYLTJJLXEBPD-UHFFFAOYSA-N 1 2 289.335 2.494 20 5 CEBDLO Cc1cc(N(C)CCCn2cc[nH+]c2)ncc1[N+](=O)[O-] ZINC000268976875 249346996 /nfs/dbraw/zinc/34/69/96/249346996.db2.gz PXUVORMFVMUFRE-UHFFFAOYSA-N 1 2 275.312 2.021 20 5 CEBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000347329419 218191681 /nfs/dbraw/zinc/19/16/81/218191681.db2.gz BDPPKKFZWYRBND-FMIVXFBMSA-N 1 2 262.309 2.330 20 5 CEBDLO CCc1nn(C)c(Nc2ccc(NC)[nH+]c2)c1[N+](=O)[O-] ZINC000288122397 197008642 /nfs/dbraw/zinc/00/86/42/197008642.db2.gz LUDRZXSSZXCOQT-UHFFFAOYSA-N 1 2 276.300 2.071 20 5 CEBDLO Cc1ccc(Cn2c(C)c([N+](=O)[O-])ccc2=O)c(C)[nH+]1 ZINC000413005656 394458890 /nfs/dbraw/zinc/45/88/90/394458890.db2.gz WQCOMMBDDJKQPR-UHFFFAOYSA-N 1 2 273.292 2.125 20 5 CEBDLO CCN(C)C(=O)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413233221 394508736 /nfs/dbraw/zinc/50/87/36/394508736.db2.gz PQFXXPIBIILRHJ-UHFFFAOYSA-N 1 2 288.307 2.033 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCN(C)[C@@H](C)[C@@H]1C ZINC000361152112 394818010 /nfs/dbraw/zinc/81/80/10/394818010.db2.gz HZXDHLUXZXOPDG-STQMWFEESA-N 1 2 277.368 2.428 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCN(C)[C@@H](C)[C@@H]1C ZINC000361152112 394818012 /nfs/dbraw/zinc/81/80/12/394818012.db2.gz HZXDHLUXZXOPDG-STQMWFEESA-N 1 2 277.368 2.428 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1NCC1([NH+]2CCOCC2)CC1 ZINC000277333895 394820555 /nfs/dbraw/zinc/82/05/55/394820555.db2.gz DYSKQSRYMQOAJH-UHFFFAOYSA-N 1 2 291.351 2.180 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1Cn1c[nH+]c2c1CCCC2 ZINC000331928092 296508307 /nfs/dbraw/zinc/50/83/07/296508307.db2.gz DANMNTVYCKDOJS-UHFFFAOYSA-N 1 2 273.292 2.424 20 5 CEBDLO O=C(CCC1CC[NH2+]CC1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000566194235 395505788 /nfs/dbraw/zinc/50/57/88/395505788.db2.gz XJOZWQTUZQMEQS-UHFFFAOYSA-N 1 2 293.323 2.019 20 5 CEBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]Cc2ccno2)c1 ZINC000569364055 395577518 /nfs/dbraw/zinc/57/75/18/395577518.db2.gz YTPHJPSWUKGCCS-UHFFFAOYSA-N 1 2 299.233 2.474 20 5 CEBDLO COc1cc(C[N@H+](C(C)C)C2COC2)c([N+](=O)[O-])cc1F ZINC000295536757 286217391 /nfs/dbraw/zinc/21/73/91/286217391.db2.gz VVYRPBBMSJAVCK-UHFFFAOYSA-N 1 2 298.314 2.352 20 5 CEBDLO COc1cc(C[N@@H+](C(C)C)C2COC2)c([N+](=O)[O-])cc1F ZINC000295536757 286217392 /nfs/dbraw/zinc/21/73/92/286217392.db2.gz VVYRPBBMSJAVCK-UHFFFAOYSA-N 1 2 298.314 2.352 20 5 CEBDLO CO[C@H](C)C[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285520268 196313544 /nfs/dbraw/zinc/31/35/44/196313544.db2.gz DVXWVTHCLONLSO-MRVPVSSYSA-N 1 2 274.267 2.340 20 5 CEBDLO CO[C@H](C)C[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285520268 196313545 /nfs/dbraw/zinc/31/35/45/196313545.db2.gz DVXWVTHCLONLSO-MRVPVSSYSA-N 1 2 274.267 2.340 20 5 CEBDLO Cc1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)no1 ZINC000044724738 175237106 /nfs/dbraw/zinc/23/71/06/175237106.db2.gz XSLJJOBTSMMNAX-UHFFFAOYSA-N 1 2 261.281 2.489 20 5 CEBDLO CC[C@H](NC(=O)c1csc([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000442816411 271835433 /nfs/dbraw/zinc/83/54/33/271835433.db2.gz XWQAGOHEOZNVMU-QMMMGPOBSA-N 1 2 280.309 2.261 20 5 CEBDLO Cn1ccc(C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000356534482 279361232 /nfs/dbraw/zinc/36/12/32/279361232.db2.gz VWTNNYOZFKCPHD-UHFFFAOYSA-N 1 2 287.319 2.328 20 5 CEBDLO Cn1ccc(C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000356534482 279361234 /nfs/dbraw/zinc/36/12/34/279361234.db2.gz VWTNNYOZFKCPHD-UHFFFAOYSA-N 1 2 287.319 2.328 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)c(F)c1 ZINC000335153231 280364024 /nfs/dbraw/zinc/36/40/24/280364024.db2.gz GKDVGRNZHFWFHW-QWRGUYRKSA-N 1 2 268.313 2.424 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3C[C@H]2CS3)c(F)c1 ZINC000335153231 280364026 /nfs/dbraw/zinc/36/40/26/280364026.db2.gz GKDVGRNZHFWFHW-QWRGUYRKSA-N 1 2 268.313 2.424 20 5 CEBDLO C[C@@]1([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000339082847 289202708 /nfs/dbraw/zinc/20/27/08/289202708.db2.gz KPUYFJLCZNRCLV-HUUCEWRRSA-N 1 2 292.335 2.348 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000366579322 522976608 /nfs/dbraw/zinc/97/66/08/522976608.db2.gz KEAKISSOZOVFDV-ZIAGYGMSSA-N 1 2 292.335 2.357 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000366579322 522976618 /nfs/dbraw/zinc/97/66/18/522976618.db2.gz KEAKISSOZOVFDV-ZIAGYGMSSA-N 1 2 292.335 2.357 20 5 CEBDLO COc1c(O)ccc(C[N@@H+]2CCS[C@H](C)C2)c1[N+](=O)[O-] ZINC000891926235 624104349 /nfs/dbraw/zinc/10/43/49/624104349.db2.gz VVKPLCMVYDJBOB-SECBINFHSA-N 1 2 298.364 2.246 20 5 CEBDLO COc1c(O)ccc(C[N@H+]2CCS[C@H](C)C2)c1[N+](=O)[O-] ZINC000891926235 624104350 /nfs/dbraw/zinc/10/43/50/624104350.db2.gz VVKPLCMVYDJBOB-SECBINFHSA-N 1 2 298.364 2.246 20 5 CEBDLO Cc1c(COC(=O)[C@@H]2CCCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000745078118 627906235 /nfs/dbraw/zinc/90/62/35/627906235.db2.gz ATSAEMSNTPKZCG-AWEZNQCLSA-N 1 2 292.335 2.431 20 5 CEBDLO Cc1c(COC(=O)[C@@H]2CCCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000745078118 627906238 /nfs/dbraw/zinc/90/62/38/627906238.db2.gz ATSAEMSNTPKZCG-AWEZNQCLSA-N 1 2 292.335 2.431 20 5 CEBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])CN1CCSC1=O ZINC000795643661 629641112 /nfs/dbraw/zinc/64/11/12/629641112.db2.gz GMDDJRILFZOJMU-UHFFFAOYSA-N 1 2 295.364 2.195 20 5 CEBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CN1CCSC1=O ZINC000795643661 629641116 /nfs/dbraw/zinc/64/11/16/629641116.db2.gz GMDDJRILFZOJMU-UHFFFAOYSA-N 1 2 295.364 2.195 20 5 CEBDLO CC[C@H](C[NH+]1CCOCC1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000895804665 630355455 /nfs/dbraw/zinc/35/54/55/630355455.db2.gz UHPAWNLQBROJFZ-GFCCVEGCSA-N 1 2 297.330 2.257 20 5 CEBDLO CC1=CCC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000797823298 630761733 /nfs/dbraw/zinc/76/17/33/630761733.db2.gz QSQQHADFTAKAOJ-UHFFFAOYSA-N 1 2 299.334 2.463 20 5 CEBDLO CC1=CCC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000797823298 630761738 /nfs/dbraw/zinc/76/17/38/630761738.db2.gz QSQQHADFTAKAOJ-UHFFFAOYSA-N 1 2 299.334 2.463 20 5 CEBDLO CCN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872066810 631245392 /nfs/dbraw/zinc/24/53/92/631245392.db2.gz QUYCQSFCFZMLCH-NXEZZACHSA-N 1 2 297.330 2.251 20 5 CEBDLO COC[C@H]1CC[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000816636593 633453947 /nfs/dbraw/zinc/45/39/47/633453947.db2.gz BSRVHSSNUFMUPE-SNVBAGLBSA-N 1 2 270.716 2.469 20 5 CEBDLO COC[C@H]1CC[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000816636593 633453953 /nfs/dbraw/zinc/45/39/53/633453953.db2.gz BSRVHSSNUFMUPE-SNVBAGLBSA-N 1 2 270.716 2.469 20 5 CEBDLO CC(C)(C)OC[C@@H]1CCC[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000905730945 636420999 /nfs/dbraw/zinc/42/09/99/636420999.db2.gz SKGXOFZMOPPWFD-NSHDSACASA-N 1 2 282.344 2.028 20 5 CEBDLO CC(C)(C)OC[C@@H]1CCC[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000905730945 636421005 /nfs/dbraw/zinc/42/10/05/636421005.db2.gz SKGXOFZMOPPWFD-NSHDSACASA-N 1 2 282.344 2.028 20 5 CEBDLO C[C@H](c1nc(Cc2ccccc2[N+](=O)[O-])no1)[NH+](C)C ZINC000923761149 641021095 /nfs/dbraw/zinc/02/10/95/641021095.db2.gz PIERGXDNVGZNJR-SECBINFHSA-N 1 2 276.296 2.191 20 5 CEBDLO O=C(CCCn1cc[nH+]c1)Nc1cc([N+](=O)[O-])ccc1F ZINC000920928085 641210900 /nfs/dbraw/zinc/21/09/00/641210900.db2.gz SWFCQKTUTYFTDA-UHFFFAOYSA-N 1 2 292.270 2.349 20 5 CEBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000852213566 643355082 /nfs/dbraw/zinc/35/50/82/643355082.db2.gz MIUNZJWZRJHGKS-AOOOYVTPSA-N 1 2 272.226 2.431 20 5 CEBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000852213566 643355085 /nfs/dbraw/zinc/35/50/85/643355085.db2.gz MIUNZJWZRJHGKS-AOOOYVTPSA-N 1 2 272.226 2.431 20 5 CEBDLO COC(=O)c1coc(C[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC000877699082 650856836 /nfs/dbraw/zinc/85/68/36/650856836.db2.gz XBRNNYBHHSBTKL-UHFFFAOYSA-N 1 2 296.304 2.326 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000877742022 650885464 /nfs/dbraw/zinc/88/54/64/650885464.db2.gz XGSAPHVHHLREIX-CMPLNLGQSA-N 1 2 294.376 2.485 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000877742022 650885465 /nfs/dbraw/zinc/88/54/65/650885465.db2.gz XGSAPHVHHLREIX-CMPLNLGQSA-N 1 2 294.376 2.485 20 5 CEBDLO CCc1nnc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)[nH]1 ZINC000763139471 645509333 /nfs/dbraw/zinc/50/93/33/645509333.db2.gz HLTXMWYNSIJXCP-SNVBAGLBSA-N 1 2 289.339 2.435 20 5 CEBDLO O=[N+]([O-])c1cccc(-c2ncn(C[N@H+]3CC=CCC3)n2)c1 ZINC000778576511 647244618 /nfs/dbraw/zinc/24/46/18/647244618.db2.gz MRTOZQSHOKDTTO-UHFFFAOYSA-N 1 2 285.307 2.073 20 5 CEBDLO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CC=CCC3)n2)c1 ZINC000778576511 647244620 /nfs/dbraw/zinc/24/46/20/647244620.db2.gz MRTOZQSHOKDTTO-UHFFFAOYSA-N 1 2 285.307 2.073 20 5 CEBDLO O=[N+]([O-])CC[N@@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000791054788 648477226 /nfs/dbraw/zinc/47/72/26/648477226.db2.gz XVDJPWXNHWNBLZ-LLVKDONJSA-N 1 2 270.354 2.006 20 5 CEBDLO O=[N+]([O-])CC[N@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000791054788 648477230 /nfs/dbraw/zinc/47/72/30/648477230.db2.gz XVDJPWXNHWNBLZ-LLVKDONJSA-N 1 2 270.354 2.006 20 5 CEBDLO C[C@H]([NH2+][C@@H]1CCCN(C)C1=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872040494 649250898 /nfs/dbraw/zinc/25/08/98/649250898.db2.gz LVEKGIFQWNJTGI-GXSJLCMTSA-N 1 2 295.314 2.005 20 5 CEBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC=CCC1 ZINC001127570101 808091073 /nfs/dbraw/zinc/09/10/73/808091073.db2.gz PCDCPVRVUDYLPG-UHFFFAOYSA-N 1 2 298.302 2.183 20 5 CEBDLO COC(=O)[C@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001173215340 815623277 /nfs/dbraw/zinc/62/32/77/815623277.db2.gz VCASTESUKOUWJW-IINYFYTJSA-N 1 2 292.335 2.067 20 5 CEBDLO CC(C)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032488064 361738785 /nfs/dbraw/zinc/73/87/85/361738785.db2.gz NRJVRHFZMVIOTO-UHFFFAOYSA-N 1 2 288.307 2.166 20 5 CEBDLO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1nncn1C ZINC000037017041 361884203 /nfs/dbraw/zinc/88/42/03/361884203.db2.gz MNAQTYDNRADKAE-MRVPVSSYSA-N 1 2 295.730 2.228 20 5 CEBDLO CCOC(=O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449505389 282261803 /nfs/dbraw/zinc/26/18/03/282261803.db2.gz XGDMVAHTOVCUKP-ZDUSSCGKSA-N 1 2 292.335 2.337 20 5 CEBDLO CCOC(=O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449505389 282261805 /nfs/dbraw/zinc/26/18/05/282261805.db2.gz XGDMVAHTOVCUKP-ZDUSSCGKSA-N 1 2 292.335 2.337 20 5 CEBDLO C[C@@H]1c2ccccc2C[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602475927 347049657 /nfs/dbraw/zinc/04/96/57/347049657.db2.gz UPYIMDOVNYWVBC-SNVBAGLBSA-N 1 2 272.308 2.405 20 5 CEBDLO C[C@@H]1c2ccccc2C[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602475927 347049659 /nfs/dbraw/zinc/04/96/59/347049659.db2.gz UPYIMDOVNYWVBC-SNVBAGLBSA-N 1 2 272.308 2.405 20 5 CEBDLO Cc1cc(NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)nc[nH+]1 ZINC000588864554 345057977 /nfs/dbraw/zinc/05/79/77/345057977.db2.gz RKERNFABUXOEPC-UHFFFAOYSA-N 1 2 297.318 2.251 20 5 CEBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)c(F)c1 ZINC000590971685 345208062 /nfs/dbraw/zinc/20/80/62/345208062.db2.gz FRXGDKMFZWBUPT-OTYXRUKQSA-N 1 2 298.289 2.484 20 5 CEBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@@H]3COC[C@@H]32)c(F)c1 ZINC000590971685 345208063 /nfs/dbraw/zinc/20/80/63/345208063.db2.gz FRXGDKMFZWBUPT-OTYXRUKQSA-N 1 2 298.289 2.484 20 5 CEBDLO O=C(Cn1cc[nH+]c1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000010809359 232174025 /nfs/dbraw/zinc/17/40/25/232174025.db2.gz SLGOZOOTUDEHTF-UHFFFAOYSA-N 1 2 280.671 2.083 20 5 CEBDLO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1nccn1C ZINC000594996563 345723383 /nfs/dbraw/zinc/72/33/83/345723383.db2.gz RJHQXBYVLUVDOZ-VIFPVBQESA-N 1 2 278.287 2.318 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000595807859 345880114 /nfs/dbraw/zinc/88/01/14/345880114.db2.gz BGCMSDQNJCJCBU-RYUDHWBXSA-N 1 2 289.335 2.184 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000595807859 345880119 /nfs/dbraw/zinc/88/01/19/345880119.db2.gz BGCMSDQNJCJCBU-RYUDHWBXSA-N 1 2 289.335 2.184 20 5 CEBDLO CC[N@@H+]1CCN(c2c(Cl)cncc2[N+](=O)[O-])C[C@@H]1C ZINC000596172244 345959183 /nfs/dbraw/zinc/95/91/83/345959183.db2.gz JFJXODLXZMIKED-VIFPVBQESA-N 1 2 284.747 2.174 20 5 CEBDLO CC[N@H+]1CCN(c2c(Cl)cncc2[N+](=O)[O-])C[C@@H]1C ZINC000596172244 345959184 /nfs/dbraw/zinc/95/91/84/345959184.db2.gz JFJXODLXZMIKED-VIFPVBQESA-N 1 2 284.747 2.174 20 5 CEBDLO O=[N+]([O-])c1cc2c(nc1N1CCc3[nH+]c[nH]c3C1)CCCC2 ZINC000596236929 345976662 /nfs/dbraw/zinc/97/66/62/345976662.db2.gz POZUSHXLVKRPGT-UHFFFAOYSA-N 1 2 299.334 2.154 20 5 CEBDLO CC(C)Oc1nc(N[C@H](C)c2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000596237929 345976751 /nfs/dbraw/zinc/97/67/51/345976751.db2.gz KIISBZRZQFZHPY-SECBINFHSA-N 1 2 291.311 2.095 20 5 CEBDLO C[C@@H]1C[N@H+](CCNc2sccc2[N+](=O)[O-])[C@H](C)CO1 ZINC000596426518 346020335 /nfs/dbraw/zinc/02/03/35/346020335.db2.gz BKNPTJMCZZNLQS-NXEZZACHSA-N 1 2 285.369 2.177 20 5 CEBDLO C[C@@H]1C[N@@H+](CCNc2sccc2[N+](=O)[O-])[C@H](C)CO1 ZINC000596426518 346020338 /nfs/dbraw/zinc/02/03/38/346020338.db2.gz BKNPTJMCZZNLQS-NXEZZACHSA-N 1 2 285.369 2.177 20 5 CEBDLO CNC(=O)C[C@@H](C)Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599084924 346458070 /nfs/dbraw/zinc/45/80/70/346458070.db2.gz ZQCSEPDFTGVMKL-SECBINFHSA-N 1 2 288.307 2.080 20 5 CEBDLO O=[N+]([O-])c1cc(F)cnc1N1CCC(n2cc[nH+]c2)CC1 ZINC000601108659 346754502 /nfs/dbraw/zinc/75/45/02/346754502.db2.gz IFFLRAZWNNOCRN-UHFFFAOYSA-N 1 2 291.286 2.167 20 5 CEBDLO CC(C)(CNc1c(Cl)cncc1[N+](=O)[O-])n1cc[nH+]c1 ZINC000601198242 346784281 /nfs/dbraw/zinc/78/42/81/346784281.db2.gz SKOMXWCEEPGITK-UHFFFAOYSA-N 1 2 295.730 2.109 20 5 CEBDLO CC(C)(CNc1cccnc1[N+](=O)[O-])n1cc[nH+]c1 ZINC000601198234 346784320 /nfs/dbraw/zinc/78/43/20/346784320.db2.gz RZYWVYARUCXTKO-UHFFFAOYSA-N 1 2 261.285 2.034 20 5 CEBDLO C[N@H+](Cc1cn[nH]c1)Cc1csc([N+](=O)[O-])c1 ZINC000610487286 347684370 /nfs/dbraw/zinc/68/43/70/347684370.db2.gz HEQWTQSJZVRGHQ-UHFFFAOYSA-N 1 2 252.299 2.011 20 5 CEBDLO C[N@@H+](Cc1cn[nH]c1)Cc1csc([N+](=O)[O-])c1 ZINC000610487286 347684372 /nfs/dbraw/zinc/68/43/72/347684372.db2.gz HEQWTQSJZVRGHQ-UHFFFAOYSA-N 1 2 252.299 2.011 20 5 CEBDLO O=[N+]([O-])c1ccc(CC[NH+]2CC(OCC(F)F)C2)cc1 ZINC000610488029 347684642 /nfs/dbraw/zinc/68/46/42/347684642.db2.gz DBVMKWXVCADAJH-UHFFFAOYSA-N 1 2 286.278 2.103 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(-n2c[nH+]c(CCCO)c2)c1 ZINC000610677432 347701255 /nfs/dbraw/zinc/70/12/55/347701255.db2.gz HHUAHPCOMDPPMC-UHFFFAOYSA-N 1 2 261.281 2.014 20 5 CEBDLO O=[N+]([O-])c1ccccc1C[N@H+](Cc1cn[nH]c1)C1CC1 ZINC000611254792 347759166 /nfs/dbraw/zinc/75/91/66/347759166.db2.gz JTRCNPUXXPPJKM-UHFFFAOYSA-N 1 2 272.308 2.483 20 5 CEBDLO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1cn[nH]c1)C1CC1 ZINC000611254792 347759169 /nfs/dbraw/zinc/75/91/69/347759169.db2.gz JTRCNPUXXPPJKM-UHFFFAOYSA-N 1 2 272.308 2.483 20 5 CEBDLO CCn1ncnc1C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000618752573 349036027 /nfs/dbraw/zinc/03/60/27/349036027.db2.gz UMOWKUVSAARGLV-UHFFFAOYSA-N 1 2 289.339 2.231 20 5 CEBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCCO[C@H](CF)C2)cs1 ZINC000411851803 233288759 /nfs/dbraw/zinc/28/87/59/233288759.db2.gz HDXMDFXSQAABJT-SNVBAGLBSA-N 1 2 274.317 2.217 20 5 CEBDLO O=[N+]([O-])c1cc(C[N@H+]2CCCO[C@H](CF)C2)cs1 ZINC000411851803 233288762 /nfs/dbraw/zinc/28/87/62/233288762.db2.gz HDXMDFXSQAABJT-SNVBAGLBSA-N 1 2 274.317 2.217 20 5 CEBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCCC[C@@H]2C2OCCO2)cs1 ZINC000110875320 186330815 /nfs/dbraw/zinc/33/08/15/186330815.db2.gz QHSVERIJWYHZQK-LLVKDONJSA-N 1 2 298.364 2.384 20 5 CEBDLO O=[N+]([O-])c1cc(C[N@H+]2CCCC[C@@H]2C2OCCO2)cs1 ZINC000110875320 186330817 /nfs/dbraw/zinc/33/08/17/186330817.db2.gz QHSVERIJWYHZQK-LLVKDONJSA-N 1 2 298.364 2.384 20 5 CEBDLO COC1CC([N@H+](C)Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000352232051 219375083 /nfs/dbraw/zinc/37/50/83/219375083.db2.gz SVNAJGBOXRXWFC-UHFFFAOYSA-N 1 2 268.288 2.343 20 5 CEBDLO COC1CC([N@@H+](C)Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000352232051 219375086 /nfs/dbraw/zinc/37/50/86/219375086.db2.gz SVNAJGBOXRXWFC-UHFFFAOYSA-N 1 2 268.288 2.343 20 5 CEBDLO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C1(CO)CCC1 ZINC000292162906 198187656 /nfs/dbraw/zinc/18/76/56/198187656.db2.gz OTRRARQMLSVPBV-UHFFFAOYSA-N 1 2 286.278 2.220 20 5 CEBDLO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C1(CO)CCC1 ZINC000292162906 198187657 /nfs/dbraw/zinc/18/76/57/198187657.db2.gz OTRRARQMLSVPBV-UHFFFAOYSA-N 1 2 286.278 2.220 20 5 CEBDLO Cc1nc(NCCCNc2cccc[nH+]2)ncc1[N+](=O)[O-] ZINC000294791905 199185180 /nfs/dbraw/zinc/18/51/80/199185180.db2.gz BKSPCDRSBQMVPB-UHFFFAOYSA-N 1 2 288.311 2.002 20 5 CEBDLO C[N@@H+](Cc1cscn1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000137001768 366533534 /nfs/dbraw/zinc/53/35/34/366533534.db2.gz WECKGCJUEZEBKT-ZDUSSCGKSA-N 1 2 293.348 2.217 20 5 CEBDLO C[N@H+](Cc1cscn1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000137001768 366533537 /nfs/dbraw/zinc/53/35/37/366533537.db2.gz WECKGCJUEZEBKT-ZDUSSCGKSA-N 1 2 293.348 2.217 20 5 CEBDLO CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1[nH]cc[nH+]1 ZINC000140700321 366562031 /nfs/dbraw/zinc/56/20/31/366562031.db2.gz WBNPRJKEYMQXNF-NSHDSACASA-N 1 2 274.280 2.199 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000339010436 366613581 /nfs/dbraw/zinc/61/35/81/366613581.db2.gz BNVMWZMLLXNBIA-FZMZJTMJSA-N 1 2 292.335 2.301 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000339010436 366613587 /nfs/dbraw/zinc/61/35/87/366613587.db2.gz BNVMWZMLLXNBIA-FZMZJTMJSA-N 1 2 292.335 2.301 20 5 CEBDLO C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1cccc(F)c1F ZINC000342232272 216270574 /nfs/dbraw/zinc/27/05/74/216270574.db2.gz XOLQTZJGHQSSPR-QMMMGPOBSA-N 1 2 296.277 2.457 20 5 CEBDLO CC[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000031807251 361719544 /nfs/dbraw/zinc/71/95/44/361719544.db2.gz LBIBSNSZUILARE-SNVBAGLBSA-N 1 2 288.307 2.309 20 5 CEBDLO O=[N+]([O-])c1cnc(Oc2cccc(-n3cc[nH+]c3)c2)nc1 ZINC000302085038 201338088 /nfs/dbraw/zinc/33/80/88/201338088.db2.gz DNCMCOBELNTNDL-UHFFFAOYSA-N 1 2 283.247 2.363 20 5 CEBDLO O=[N+]([O-])c1ccnn1Cc1cn2cc(Cl)ccc2[nH+]1 ZINC000102847107 364613278 /nfs/dbraw/zinc/61/32/78/364613278.db2.gz KTFROUYJSQEWRU-UHFFFAOYSA-N 1 2 277.671 2.141 20 5 CEBDLO C[C@@H]([NH2+]Cc1ccn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000112343161 364796092 /nfs/dbraw/zinc/79/60/92/364796092.db2.gz JYOYLJFWJCCHPW-SNVBAGLBSA-N 1 2 260.297 2.179 20 5 CEBDLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000343275473 367738759 /nfs/dbraw/zinc/73/87/59/367738759.db2.gz KTMVVJDREISCNI-UHFFFAOYSA-N 1 2 297.274 2.361 20 5 CEBDLO CNC(=O)CC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000175019257 368090566 /nfs/dbraw/zinc/09/05/66/368090566.db2.gz SGBQNJJBZMDSRK-UHFFFAOYSA-N 1 2 297.380 2.004 20 5 CEBDLO CN(Cc1[nH]cc[nH+]1)c1ccc(F)cc1[N+](=O)[O-] ZINC000345671651 368367958 /nfs/dbraw/zinc/36/79/58/368367958.db2.gz UYDKCATZDLXNMM-UHFFFAOYSA-N 1 2 250.233 2.093 20 5 CEBDLO C[C@H]1CC(O)C[C@H](C)[NH+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330447367 202834535 /nfs/dbraw/zinc/83/45/35/202834535.db2.gz FYDSWAWBQNPXPN-UWVGGRQHSA-N 1 2 280.324 2.034 20 5 CEBDLO Cc1ccc(NC(=O)CCc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC000188391290 369349699 /nfs/dbraw/zinc/34/96/99/369349699.db2.gz YJGXSUBEEOUOLG-UHFFFAOYSA-N 1 2 288.307 2.208 20 5 CEBDLO C[C@H](c1ccco1)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355549917 370596838 /nfs/dbraw/zinc/59/68/38/370596838.db2.gz WJFBRQGVBIPOOR-SECBINFHSA-N 1 2 264.285 2.114 20 5 CEBDLO C[C@H](c1ccco1)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355549917 370596843 /nfs/dbraw/zinc/59/68/43/370596843.db2.gz WJFBRQGVBIPOOR-SECBINFHSA-N 1 2 264.285 2.114 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(N[C@H]2CCN(c3cccc[nH+]3)C2)n1 ZINC000269894563 372591743 /nfs/dbraw/zinc/59/17/43/372591743.db2.gz XIHOERCJMUSBMQ-LBPRGKRZSA-N 1 2 299.334 2.384 20 5 CEBDLO CC(C)OC[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000372123797 374049268 /nfs/dbraw/zinc/04/92/68/374049268.db2.gz CJKXCJVXPXXTIP-HNNXBMFYSA-N 1 2 294.351 2.221 20 5 CEBDLO CC(C)OC[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000372123797 374049272 /nfs/dbraw/zinc/04/92/72/374049272.db2.gz CJKXCJVXPXXTIP-HNNXBMFYSA-N 1 2 294.351 2.221 20 5 CEBDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000274986781 374115756 /nfs/dbraw/zinc/11/57/56/374115756.db2.gz NGVRUWNPDUBJLA-FZMZJTMJSA-N 1 2 292.335 2.368 20 5 CEBDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000274986781 374115759 /nfs/dbraw/zinc/11/57/59/374115759.db2.gz NGVRUWNPDUBJLA-FZMZJTMJSA-N 1 2 292.335 2.368 20 5 CEBDLO COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000274937435 374100353 /nfs/dbraw/zinc/10/03/53/374100353.db2.gz DLLDZOVEIBUKLD-RISCZKNCSA-N 1 2 292.335 2.368 20 5 CEBDLO COC(=O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000274937435 374100361 /nfs/dbraw/zinc/10/03/61/374100361.db2.gz DLLDZOVEIBUKLD-RISCZKNCSA-N 1 2 292.335 2.368 20 5 CEBDLO CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000276618553 374237286 /nfs/dbraw/zinc/23/72/86/374237286.db2.gz NUWOLYBNAACLCX-GFCCVEGCSA-N 1 2 288.307 2.445 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000373775176 374417495 /nfs/dbraw/zinc/41/74/95/374417495.db2.gz BOFZGPYEQQOKBR-AWEZNQCLSA-N 1 2 292.335 2.214 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCOC[C@H]1C1CC1 ZINC000373775176 374417500 /nfs/dbraw/zinc/41/75/00/374417500.db2.gz BOFZGPYEQQOKBR-AWEZNQCLSA-N 1 2 292.335 2.214 20 5 CEBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000377317146 374834579 /nfs/dbraw/zinc/83/45/79/374834579.db2.gz NYSUCCKLKOPZNS-LBPRGKRZSA-N 1 2 286.291 2.295 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC3(CCC3)C2)cc1F ZINC000283210405 375675527 /nfs/dbraw/zinc/67/55/27/375675527.db2.gz RXFKNWWUMHQZGE-UHFFFAOYSA-N 1 2 280.299 2.489 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCOC3(CCC3)C2)cc1F ZINC000283210405 375675533 /nfs/dbraw/zinc/67/55/33/375675533.db2.gz RXFKNWWUMHQZGE-UHFFFAOYSA-N 1 2 280.299 2.489 20 5 CEBDLO C[C@@H](O)CC[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000283992249 375793399 /nfs/dbraw/zinc/79/33/99/375793399.db2.gz JPOGSDFXRMNDIN-MRVPVSSYSA-N 1 2 274.267 2.076 20 5 CEBDLO C[C@@H](O)CC[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000283992249 375793403 /nfs/dbraw/zinc/79/34/03/375793403.db2.gz JPOGSDFXRMNDIN-MRVPVSSYSA-N 1 2 274.267 2.076 20 5 CEBDLO C[C@]1(O)CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285603942 375842341 /nfs/dbraw/zinc/84/23/41/375842341.db2.gz LPWMUSLMITWTAB-ZDUSSCGKSA-N 1 2 286.278 2.220 20 5 CEBDLO C[C@]1(O)CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285603942 375842342 /nfs/dbraw/zinc/84/23/42/375842342.db2.gz LPWMUSLMITWTAB-ZDUSSCGKSA-N 1 2 286.278 2.220 20 5 CEBDLO CC(=O)c1cc(N[C@@H](C)Cn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000290460440 376789704 /nfs/dbraw/zinc/78/97/04/376789704.db2.gz FEMVAKXIBABVMG-JTQLQIEISA-N 1 2 288.307 2.495 20 5 CEBDLO Cc1nn(Cc2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc12 ZINC000432247385 377735101 /nfs/dbraw/zinc/73/51/01/377735101.db2.gz RDQKGEXVRTWQBI-UHFFFAOYSA-N 1 2 271.280 2.035 20 5 CEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@](C)(F)C1 ZINC000347346810 218200260 /nfs/dbraw/zinc/20/02/60/218200260.db2.gz IYNAHZOTGQUYOW-IINYFYTJSA-N 1 2 295.314 2.356 20 5 CEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@](C)(F)C1 ZINC000347346810 218200262 /nfs/dbraw/zinc/20/02/62/218200262.db2.gz IYNAHZOTGQUYOW-IINYFYTJSA-N 1 2 295.314 2.356 20 5 CEBDLO Cc1cn[nH]c1C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000289454619 197355130 /nfs/dbraw/zinc/35/51/30/197355130.db2.gz HHIOZLATWRHGTM-SNVBAGLBSA-N 1 2 260.297 2.477 20 5 CEBDLO Cc1c[nH]nc1C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000289454619 197355132 /nfs/dbraw/zinc/35/51/32/197355132.db2.gz HHIOZLATWRHGTM-SNVBAGLBSA-N 1 2 260.297 2.477 20 5 CEBDLO CCC[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C(=O)OCC ZINC000266427539 190256998 /nfs/dbraw/zinc/25/69/98/190256998.db2.gz CBHQVSYFHZGPDF-ZDUSSCGKSA-N 1 2 294.351 2.459 20 5 CEBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000456362543 379404864 /nfs/dbraw/zinc/40/48/64/379404864.db2.gz WUIDAFZPWONHEN-QMMMGPOBSA-N 1 2 294.336 2.364 20 5 CEBDLO C[C@H]1C[N@H+](CCNc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000523462491 379595486 /nfs/dbraw/zinc/59/54/86/379595486.db2.gz ZLVXEKFJNKNMCF-JTQLQIEISA-N 1 2 299.758 2.381 20 5 CEBDLO C[C@H]1C[N@@H+](CCNc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000523462491 379595494 /nfs/dbraw/zinc/59/54/94/379595494.db2.gz ZLVXEKFJNKNMCF-JTQLQIEISA-N 1 2 299.758 2.381 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1[C@H](C)C[C@@H]1C ZINC000548753730 380556945 /nfs/dbraw/zinc/55/69/45/380556945.db2.gz BGGOJTKIERJGPD-AOOOYVTPSA-N 1 2 293.323 2.025 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1[C@H](C)C[C@@H]1C ZINC000548753730 380556949 /nfs/dbraw/zinc/55/69/49/380556949.db2.gz BGGOJTKIERJGPD-AOOOYVTPSA-N 1 2 293.323 2.025 20 5 CEBDLO C[C@H](NC(=O)CCc1[nH]cc[nH+]1)c1ccccc1[N+](=O)[O-] ZINC000288541995 197106905 /nfs/dbraw/zinc/10/69/05/197106905.db2.gz MCVXVVVFTGKMGL-JTQLQIEISA-N 1 2 288.307 2.128 20 5 CEBDLO Cc1ccc(C[N@@H+]2CCC[C@]23CCOC3=O)cc1[N+](=O)[O-] ZINC000190035849 130052811 /nfs/dbraw/zinc/05/28/11/130052811.db2.gz WXCOTFRIYBTOPA-OAHLLOKOSA-N 1 2 290.319 2.185 20 5 CEBDLO Cc1ccc(C[N@H+]2CCC[C@]23CCOC3=O)cc1[N+](=O)[O-] ZINC000190035849 130052813 /nfs/dbraw/zinc/05/28/13/130052813.db2.gz WXCOTFRIYBTOPA-OAHLLOKOSA-N 1 2 290.319 2.185 20 5 CEBDLO CO[C@@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413179359 394499090 /nfs/dbraw/zinc/49/90/90/394499090.db2.gz XBYFKISJGRAMDY-GFCCVEGCSA-N 1 2 273.292 2.368 20 5 CEBDLO Cc1ccc(CCNc2ncc([N+](=O)[O-])cc2C)[nH+]c1 ZINC000413356733 394533920 /nfs/dbraw/zinc/53/39/20/394533920.db2.gz UKVDUBLWTZWSMQ-UHFFFAOYSA-N 1 2 272.308 2.078 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C)N(C)C[C@H]1C ZINC000361163640 394818699 /nfs/dbraw/zinc/81/86/99/394818699.db2.gz BMGVPXNSLYUTJE-QWHCGFSZSA-N 1 2 277.368 2.428 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)N(C)C[C@H]1C ZINC000361163640 394818700 /nfs/dbraw/zinc/81/87/00/394818700.db2.gz BMGVPXNSLYUTJE-QWHCGFSZSA-N 1 2 277.368 2.428 20 5 CEBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@H](CO)C2)c(F)c1 ZINC000286094698 395011857 /nfs/dbraw/zinc/01/18/57/395011857.db2.gz ULKHMEZJZGIFDO-VIFPVBQESA-N 1 2 286.278 2.077 20 5 CEBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@H](CO)C2)c(F)c1 ZINC000286094698 395011862 /nfs/dbraw/zinc/01/18/62/395011862.db2.gz ULKHMEZJZGIFDO-VIFPVBQESA-N 1 2 286.278 2.077 20 5 CEBDLO C[C@@H](NCC1([NH+](C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000397962601 395230762 /nfs/dbraw/zinc/23/07/62/395230762.db2.gz DYUTVPXJYIWFCR-LLVKDONJSA-N 1 2 263.341 2.340 20 5 CEBDLO C[C@H](NC(=O)CCc1c[nH+]c[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000189168170 395324823 /nfs/dbraw/zinc/32/48/23/395324823.db2.gz AIPMFOUPXVDPKI-JTQLQIEISA-N 1 2 288.307 2.128 20 5 CEBDLO C[C@H](NC(=O)CCc1c[nH]c[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000189168170 395324826 /nfs/dbraw/zinc/32/48/26/395324826.db2.gz AIPMFOUPXVDPKI-JTQLQIEISA-N 1 2 288.307 2.128 20 5 CEBDLO Cc1ncc([N+](=O)[O-])n1Cc1[nH+]ccn1-c1ccccc1 ZINC000434644955 395317341 /nfs/dbraw/zinc/31/73/41/395317341.db2.gz IPEZDWJKBOTKKY-UHFFFAOYSA-N 1 2 283.291 2.334 20 5 CEBDLO Cc1cc(NCCF)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000435584434 395374961 /nfs/dbraw/zinc/37/49/61/395374961.db2.gz LOUSBCFZLQOSTC-UHFFFAOYSA-N 1 2 276.271 2.164 20 5 CEBDLO [NH3+][C@@H]1CCCC[C@H]1CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000566193624 395505294 /nfs/dbraw/zinc/50/52/94/395505294.db2.gz NRDTZEUBXWPWEK-GXSJLCMTSA-N 1 2 293.323 2.147 20 5 CEBDLO CC(C)[C@@H](CNc1sccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000301917248 154181466 /nfs/dbraw/zinc/18/14/66/154181466.db2.gz ATGVEYZTNJCOTB-GFCCVEGCSA-N 1 2 299.396 2.425 20 5 CEBDLO Cc1c(C[N@H+](C)Cc2cc[nH]n2)cccc1[N+](=O)[O-] ZINC000357862631 154391800 /nfs/dbraw/zinc/39/18/00/154391800.db2.gz AOKMYPUNKBOOTJ-UHFFFAOYSA-N 1 2 260.297 2.258 20 5 CEBDLO Cc1c(C[N@@H+](C)Cc2cc[nH]n2)cccc1[N+](=O)[O-] ZINC000357862631 154391804 /nfs/dbraw/zinc/39/18/04/154391804.db2.gz AOKMYPUNKBOOTJ-UHFFFAOYSA-N 1 2 260.297 2.258 20 5 CEBDLO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000368458025 156346488 /nfs/dbraw/zinc/34/64/88/156346488.db2.gz MHLYLUAXYOTQGV-LLVKDONJSA-N 1 2 286.291 2.377 20 5 CEBDLO Cc1cn2c([nH+]1)CN(Cc1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000374700832 157009703 /nfs/dbraw/zinc/00/97/03/157009703.db2.gz OKQZAAMEXJUDQB-UHFFFAOYSA-N 1 2 286.335 2.424 20 5 CEBDLO O=C(NCc1ccn2cc[nH+]c2c1)c1ccccc1[N+](=O)[O-] ZINC000178065534 165220250 /nfs/dbraw/zinc/22/02/50/165220250.db2.gz ZACLAXUXPVCTBE-UHFFFAOYSA-N 1 2 296.286 2.173 20 5 CEBDLO O=[N+]([O-])c1ccc(NCc2cn3ccccc3[nH+]2)nc1 ZINC000022806137 171399535 /nfs/dbraw/zinc/39/95/35/171399535.db2.gz VGFROOQKLCGTJO-UHFFFAOYSA-N 1 2 269.264 2.250 20 5 CEBDLO C[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1cn[nH]c1 ZINC000285726553 196380327 /nfs/dbraw/zinc/38/03/27/196380327.db2.gz UCSARYFLJCTYTR-SSDOTTSWSA-N 1 2 282.250 2.447 20 5 CEBDLO C[C@H]1COC[C@H](C)[NH+]1CCOc1ccccc1[N+](=O)[O-] ZINC000077369260 177259169 /nfs/dbraw/zinc/25/91/69/177259169.db2.gz DOYDDJXPQVINEC-RYUDHWBXSA-N 1 2 280.324 2.083 20 5 CEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000517956535 260328205 /nfs/dbraw/zinc/32/82/05/260328205.db2.gz CRCBRYMFSRRQIK-UHFFFAOYSA-N 1 2 299.334 2.013 20 5 CEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC=C(c2ccccn2)C1 ZINC000517956535 260328207 /nfs/dbraw/zinc/32/82/07/260328207.db2.gz CRCBRYMFSRRQIK-UHFFFAOYSA-N 1 2 299.334 2.013 20 5 CEBDLO CC(C)CNC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192638531 270278887 /nfs/dbraw/zinc/27/88/87/270278887.db2.gz AKAOICVZWWLUBH-GFCCVEGCSA-N 1 2 293.367 2.187 20 5 CEBDLO CC(C)CNC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192638531 270278888 /nfs/dbraw/zinc/27/88/88/270278888.db2.gz AKAOICVZWWLUBH-GFCCVEGCSA-N 1 2 293.367 2.187 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000430195963 271361368 /nfs/dbraw/zinc/36/13/68/271361368.db2.gz PWKYIMVLRDAOPV-QWRGUYRKSA-N 1 2 280.324 2.213 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000430195963 271361370 /nfs/dbraw/zinc/36/13/70/271361370.db2.gz PWKYIMVLRDAOPV-QWRGUYRKSA-N 1 2 280.324 2.213 20 5 CEBDLO Cn1cc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000135224175 280039819 /nfs/dbraw/zinc/03/98/19/280039819.db2.gz MMFGASBAPHULMZ-UHFFFAOYSA-N 1 2 286.335 2.493 20 5 CEBDLO Cn1cc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000135224175 280039821 /nfs/dbraw/zinc/03/98/21/280039821.db2.gz MMFGASBAPHULMZ-UHFFFAOYSA-N 1 2 286.335 2.493 20 5 CEBDLO C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2F)c2[nH+]ccn21 ZINC000413316750 288771232 /nfs/dbraw/zinc/77/12/32/288771232.db2.gz MGWXVTLFVFXEGK-XCBNKYQSSA-N 1 2 277.259 2.443 20 5 CEBDLO Cc1ccc(CSc2ncc([N+](=O)[O-])c(N)n2)c(C)[nH+]1 ZINC000515073634 297564590 /nfs/dbraw/zinc/56/45/90/297564590.db2.gz QSMQCLMUFRYHQE-UHFFFAOYSA-N 1 2 291.336 2.102 20 5 CEBDLO Cn1cc[nH+]c1[C@H]1N(c2ncccc2[N+](=O)[O-])CC1(C)C ZINC000296254240 303011457 /nfs/dbraw/zinc/01/14/57/303011457.db2.gz IZVOTZCMPNUQPG-LLVKDONJSA-N 1 2 287.323 2.311 20 5 CEBDLO O=[N+]([O-])c1cc(C[NH2+][C@@H](CCO)c2ccco2)cs1 ZINC000184503859 527330670 /nfs/dbraw/zinc/33/06/70/527330670.db2.gz NDAGRUGGUKMOQP-JTQLQIEISA-N 1 2 282.321 2.463 20 5 CEBDLO CCn1ccc(C[NH2+]Cc2csc([N+](=O)[O-])c2)n1 ZINC000414478226 529171644 /nfs/dbraw/zinc/17/16/44/529171644.db2.gz FPUGACKTPQNNDA-UHFFFAOYSA-N 1 2 266.326 2.163 20 5 CEBDLO CCC[N@H+](C[C@@H]1CCCCO1)Cn1nccc1[N+](=O)[O-] ZINC000730255813 574512333 /nfs/dbraw/zinc/51/23/33/574512333.db2.gz KAFQCIGKQPKEEM-LBPRGKRZSA-N 1 2 282.344 2.030 20 5 CEBDLO CCC[N@@H+](C[C@@H]1CCCCO1)Cn1nccc1[N+](=O)[O-] ZINC000730255813 574512334 /nfs/dbraw/zinc/51/23/34/574512334.db2.gz KAFQCIGKQPKEEM-LBPRGKRZSA-N 1 2 282.344 2.030 20 5 CEBDLO O=C(Nc1cc[nH+]cc1O)c1cc([N+](=O)[O-])ccc1Cl ZINC000747973379 575177053 /nfs/dbraw/zinc/17/70/53/575177053.db2.gz BBYUQTIIFPMJBH-UHFFFAOYSA-N 1 2 293.666 2.023 20 5 CEBDLO CN(C)c1cc(NCCc2cccc([N+](=O)[O-])c2)[nH+]cn1 ZINC000893009050 627940901 /nfs/dbraw/zinc/94/09/01/627940901.db2.gz AJYXBQCSZPPMBZ-UHFFFAOYSA-N 1 2 287.323 2.105 20 5 CEBDLO CN(C)c1cc(NCCc2cccc([N+](=O)[O-])c2)nc[nH+]1 ZINC000893009050 627940903 /nfs/dbraw/zinc/94/09/03/627940903.db2.gz AJYXBQCSZPPMBZ-UHFFFAOYSA-N 1 2 287.323 2.105 20 5 CEBDLO Cc1nn(C[N@@H+]2CCC=C(c3ccco3)C2)cc1[N+](=O)[O-] ZINC000795652157 629643839 /nfs/dbraw/zinc/64/38/39/629643839.db2.gz VTMIBHLVRMNTCO-UHFFFAOYSA-N 1 2 288.307 2.440 20 5 CEBDLO Cc1nn(C[N@H+]2CCC=C(c3ccco3)C2)cc1[N+](=O)[O-] ZINC000795652157 629643841 /nfs/dbraw/zinc/64/38/41/629643841.db2.gz VTMIBHLVRMNTCO-UHFFFAOYSA-N 1 2 288.307 2.440 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(NCc2cc(N(C)C)cc[nH+]2)n1 ZINC000895466387 630207188 /nfs/dbraw/zinc/20/71/88/630207188.db2.gz SWTPIANZWURCRU-UHFFFAOYSA-N 1 2 287.323 2.371 20 5 CEBDLO CN(C)c1cc[nH+]c(CNc2ncc([N+](=O)[O-])s2)c1 ZINC000895471598 630214911 /nfs/dbraw/zinc/21/49/11/630214911.db2.gz TXFWGKMMLDXLMG-UHFFFAOYSA-N 1 2 279.325 2.124 20 5 CEBDLO C[C@@H]([NH2+]Cc1cscn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815571377 633032242 /nfs/dbraw/zinc/03/22/42/633032242.db2.gz BYSGAXMUNIFPOX-MRVPVSSYSA-N 1 2 278.337 2.484 20 5 CEBDLO C[C@H]([NH2+]Cc1cocn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815606115 633036771 /nfs/dbraw/zinc/03/67/71/633036771.db2.gz NRQHXONLTQSTCR-QMMMGPOBSA-N 1 2 262.269 2.016 20 5 CEBDLO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCCC2(F)F)c1 ZINC000819314223 634136502 /nfs/dbraw/zinc/13/65/02/634136502.db2.gz UUHFAFODBJOSGJ-VXGBXAGGSA-N 1 2 286.278 2.406 20 5 CEBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@H](F)C2)c1 ZINC000902994830 634923176 /nfs/dbraw/zinc/92/31/76/634923176.db2.gz JCPXCTBHMCKDQE-WCQYABFASA-N 1 2 268.288 2.062 20 5 CEBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@H](F)C2)c1 ZINC000902994830 634923178 /nfs/dbraw/zinc/92/31/78/634923178.db2.gz JCPXCTBHMCKDQE-WCQYABFASA-N 1 2 268.288 2.062 20 5 CEBDLO O=[N+]([O-])CC[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000905064076 635809569 /nfs/dbraw/zinc/80/95/69/635809569.db2.gz GVMFASVTQIKMIU-UHFFFAOYSA-N 1 2 263.322 2.176 20 5 CEBDLO COCC[N@H+](CCF)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000827062606 636203183 /nfs/dbraw/zinc/20/31/83/636203183.db2.gz ZNVOKVKCIHKWLJ-UHFFFAOYSA-N 1 2 270.304 2.321 20 5 CEBDLO COCC[N@@H+](CCF)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000827062606 636203186 /nfs/dbraw/zinc/20/31/86/636203186.db2.gz ZNVOKVKCIHKWLJ-UHFFFAOYSA-N 1 2 270.304 2.321 20 5 CEBDLO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CC(C(F)(F)F)C2)cc1 ZINC000828415126 636590425 /nfs/dbraw/zinc/59/04/25/636590425.db2.gz GCQKSXSIJBCIIT-NSHDSACASA-N 1 2 290.241 2.122 20 5 CEBDLO COc1cc(N2CCn3c[nH+]cc3C2)c([N+](=O)[O-])cc1C ZINC000853637074 643839810 /nfs/dbraw/zinc/83/98/10/643839810.db2.gz NQEIWXCKSMMNAI-UHFFFAOYSA-N 1 2 288.307 2.129 20 5 CEBDLO Cc1ccc(N2CC(n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000754060068 644318640 /nfs/dbraw/zinc/31/86/40/644318640.db2.gz NMENZIUBHLNJCB-UHFFFAOYSA-N 1 2 258.281 2.161 20 5 CEBDLO O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc2[nH+]ccn21 ZINC000770058997 646353143 /nfs/dbraw/zinc/35/31/43/646353143.db2.gz SGXCOMXSGYSTPL-UHFFFAOYSA-N 1 2 282.259 2.495 20 5 CEBDLO O=C(OCCCn1cc[nH+]c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000784122197 647806394 /nfs/dbraw/zinc/80/63/94/647806394.db2.gz MGBFBGALDHUKII-UHFFFAOYSA-N 1 2 293.254 2.178 20 5 CEBDLO Cc1nn(C[NH+]2CCSCC2)c2cc([N+](=O)[O-])ccc12 ZINC000121108026 647814242 /nfs/dbraw/zinc/81/42/42/647814242.db2.gz LLQRXOFCGSRNGY-UHFFFAOYSA-N 1 2 292.364 2.259 20 5 CEBDLO Cc1nnc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)s1 ZINC000788737911 648219356 /nfs/dbraw/zinc/21/93/56/648219356.db2.gz ZOADZBUSRULOKL-SSDOTTSWSA-N 1 2 293.352 2.188 20 5 CEBDLO C[C@H]([NH2+]Cc1cnn(C)c1)c1c(F)cccc1[N+](=O)[O-] ZINC000872024954 649244356 /nfs/dbraw/zinc/24/43/56/649244356.db2.gz XPSCVFGOJDXTSQ-VIFPVBQESA-N 1 2 278.287 2.318 20 5 CEBDLO CC(=O)c1c([N+](=O)[O-])cccc1N1CC[NH+](C2CC2)CC1 ZINC000881856661 651900861 /nfs/dbraw/zinc/90/08/61/651900861.db2.gz QJAAOBHBNFUVMN-UHFFFAOYSA-N 1 2 289.335 2.082 20 5 CEBDLO CCn1c[nH+]cc1COC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC001123469417 807899564 /nfs/dbraw/zinc/89/95/64/807899564.db2.gz MBSXCAHQSUFPEE-UHFFFAOYSA-N 1 2 289.291 2.477 20 5 CEBDLO CC[C@@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC001173209262 815635145 /nfs/dbraw/zinc/63/51/45/815635145.db2.gz AWMKGMGGGVRDKH-ZWNOBZJWSA-N 1 2 280.324 2.067 20 5 CEBDLO Cc1ncc([N+](=O)[O-])n1Cc1cn2c(cccc2C)[nH+]1 ZINC000098010458 230389715 /nfs/dbraw/zinc/38/97/15/230389715.db2.gz MUDMLJLLYKGPAP-UHFFFAOYSA-N 1 2 271.280 2.104 20 5 CEBDLO COc1cc(C[N@@H+]2CC[C@H](F)C2)c([N+](=O)[O-])cc1OC ZINC000449390688 282213614 /nfs/dbraw/zinc/21/36/14/282213614.db2.gz WNHHTADIOWMCPW-JTQLQIEISA-N 1 2 284.287 2.156 20 5 CEBDLO COc1cc(C[N@H+]2CC[C@H](F)C2)c([N+](=O)[O-])cc1OC ZINC000449390688 282213616 /nfs/dbraw/zinc/21/36/16/282213616.db2.gz WNHHTADIOWMCPW-JTQLQIEISA-N 1 2 284.287 2.156 20 5 CEBDLO CC(C)NC(=O)C[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000042607382 362106115 /nfs/dbraw/zinc/10/61/15/362106115.db2.gz JOQLNKKMQGARTH-UHFFFAOYSA-N 1 2 299.758 2.205 20 5 CEBDLO CC(C)NC(=O)C[N@@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000042607382 362106120 /nfs/dbraw/zinc/10/61/20/362106120.db2.gz JOQLNKKMQGARTH-UHFFFAOYSA-N 1 2 299.758 2.205 20 5 CEBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000054342295 343588178 /nfs/dbraw/zinc/58/81/78/343588178.db2.gz FRZHQLUPUCPYOG-GXTWGEPZSA-N 1 2 292.335 2.227 20 5 CEBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000054342295 343588179 /nfs/dbraw/zinc/58/81/79/343588179.db2.gz FRZHQLUPUCPYOG-GXTWGEPZSA-N 1 2 292.335 2.227 20 5 CEBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1cn[nH]c1 ZINC000085825174 344096851 /nfs/dbraw/zinc/09/68/51/344096851.db2.gz JHNYPHKEZROROE-UHFFFAOYSA-N 1 2 290.323 2.349 20 5 CEBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1cn[nH]c1 ZINC000085825174 344096854 /nfs/dbraw/zinc/09/68/54/344096854.db2.gz JHNYPHKEZROROE-UHFFFAOYSA-N 1 2 290.323 2.349 20 5 CEBDLO Cc1ccc(SCC[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000090069662 344135730 /nfs/dbraw/zinc/13/57/30/344135730.db2.gz GAJJHBZAGZJVCY-UHFFFAOYSA-N 1 2 282.365 2.328 20 5 CEBDLO CCn1nccc1C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000126971965 344327043 /nfs/dbraw/zinc/32/70/43/344327043.db2.gz JPAFPPAUOQPNSX-UHFFFAOYSA-N 1 2 286.335 2.370 20 5 CEBDLO CCn1nccc1C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000126971965 344327047 /nfs/dbraw/zinc/32/70/47/344327047.db2.gz JPAFPPAUOQPNSX-UHFFFAOYSA-N 1 2 286.335 2.370 20 5 CEBDLO COc1ccc(C[NH2+]Cc2ncc(C)o2)cc1[N+](=O)[O-] ZINC000234939491 344588075 /nfs/dbraw/zinc/58/80/75/344588075.db2.gz KIRNNNUIPIOIPT-UHFFFAOYSA-N 1 2 277.280 2.190 20 5 CEBDLO Cc1[nH+]cccc1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000310509747 344730394 /nfs/dbraw/zinc/73/03/94/344730394.db2.gz PYOALEJXUSUZLS-UHFFFAOYSA-N 1 2 297.112 2.306 20 5 CEBDLO C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])cn1)c1cccs1 ZINC000273233569 192082720 /nfs/dbraw/zinc/08/27/20/192082720.db2.gz XOQBBGJTMAYNPU-SNVBAGLBSA-N 1 2 293.352 2.161 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC2(CCOC2)CC1 ZINC000590169302 345119192 /nfs/dbraw/zinc/11/91/92/345119192.db2.gz IBYXHVGTLAHSDT-UHFFFAOYSA-N 1 2 292.335 2.303 20 5 CEBDLO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCCn2ccnc21 ZINC000594503513 345639657 /nfs/dbraw/zinc/63/96/57/345639657.db2.gz WLPSRKHEUGJBIM-GFCCVEGCSA-N 1 2 272.308 2.416 20 5 CEBDLO O=C(C[N@@H+]1C[C@@H]2CCCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000595569111 345816039 /nfs/dbraw/zinc/81/60/39/345816039.db2.gz ZZAJDZIXAHVLLR-AAEUAGOBSA-N 1 2 289.335 2.408 20 5 CEBDLO O=C(C[N@H+]1C[C@@H]2CCCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000595569111 345816041 /nfs/dbraw/zinc/81/60/41/345816041.db2.gz ZZAJDZIXAHVLLR-AAEUAGOBSA-N 1 2 289.335 2.408 20 5 CEBDLO Cc1noc(C[NH2+][C@H](C)c2cccnc2)c1[N+](=O)[O-] ZINC000595410809 345776121 /nfs/dbraw/zinc/77/61/21/345776121.db2.gz WLPYRFCECNZBDU-MRVPVSSYSA-N 1 2 262.269 2.137 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000595752354 345866891 /nfs/dbraw/zinc/86/68/91/345866891.db2.gz XSFJIRWTWOGHRQ-HNNXBMFYSA-N 1 2 292.335 2.037 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000595752354 345866892 /nfs/dbraw/zinc/86/68/92/345866892.db2.gz XSFJIRWTWOGHRQ-HNNXBMFYSA-N 1 2 292.335 2.037 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC2CC1(C)C2 ZINC000595915846 345912602 /nfs/dbraw/zinc/91/26/02/345912602.db2.gz OWKJIYQEPLMFHC-UHFFFAOYSA-N 1 2 289.335 2.326 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC2CC1(C)C2 ZINC000595915846 345912605 /nfs/dbraw/zinc/91/26/05/345912605.db2.gz OWKJIYQEPLMFHC-UHFFFAOYSA-N 1 2 289.335 2.326 20 5 CEBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCc2nccnc2C1 ZINC000597235632 346157329 /nfs/dbraw/zinc/15/73/29/346157329.db2.gz IZPIUPFQUSCSCD-HWKANZROSA-N 1 2 296.330 2.456 20 5 CEBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCc2nccnc2C1 ZINC000597235632 346157335 /nfs/dbraw/zinc/15/73/35/346157335.db2.gz IZPIUPFQUSCSCD-HWKANZROSA-N 1 2 296.330 2.456 20 5 CEBDLO CC(C)NC(=O)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599019873 346447646 /nfs/dbraw/zinc/44/76/46/346447646.db2.gz JUISOYDKHQKQKA-UHFFFAOYSA-N 1 2 288.307 2.080 20 5 CEBDLO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@H]1C[C@@H](O)C1 ZINC000599656676 346556882 /nfs/dbraw/zinc/55/68/82/346556882.db2.gz YFORTSDNIFNSNJ-WAAGHKOSSA-N 1 2 286.278 2.076 20 5 CEBDLO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@H]1C[C@@H](O)C1 ZINC000599656676 346556884 /nfs/dbraw/zinc/55/68/84/346556884.db2.gz YFORTSDNIFNSNJ-WAAGHKOSSA-N 1 2 286.278 2.076 20 5 CEBDLO C[C@H](CNc1ncc(F)cc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000601105700 346754124 /nfs/dbraw/zinc/75/41/24/346754124.db2.gz MMPYKLXCPNHRJX-SECBINFHSA-N 1 2 279.275 2.074 20 5 CEBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CC(C)(O)C1 ZINC000602687715 347147533 /nfs/dbraw/zinc/14/75/33/347147533.db2.gz AIWYNYWIPHOLAA-IZZDOVSWSA-N 1 2 262.309 2.065 20 5 CEBDLO C[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000602802637 347205921 /nfs/dbraw/zinc/20/59/21/347205921.db2.gz SCRPXDIWUZXMRI-MRVPVSSYSA-N 1 2 296.277 2.457 20 5 CEBDLO Cn1cc(C[N@@H+]2CC[C@@H]2c2ccc(F)cc2)c([N+](=O)[O-])n1 ZINC000602884967 347237896 /nfs/dbraw/zinc/23/78/96/347237896.db2.gz LYGONVUKRXRGRN-CYBMUJFWSA-N 1 2 290.298 2.414 20 5 CEBDLO Cn1cc(C[N@H+]2CC[C@@H]2c2ccc(F)cc2)c([N+](=O)[O-])n1 ZINC000602884967 347237897 /nfs/dbraw/zinc/23/78/97/347237897.db2.gz LYGONVUKRXRGRN-CYBMUJFWSA-N 1 2 290.298 2.414 20 5 CEBDLO Nc1ccc(CNc2ccc([N+](=O)[O-])cc2F)c[nH+]1 ZINC000302786866 232673180 /nfs/dbraw/zinc/67/31/80/232673180.db2.gz WRANUCXZMAZLFQ-UHFFFAOYSA-N 1 2 262.244 2.323 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1NCC[N@H+]1CCOC[C@H]1C ZINC000610468588 347682477 /nfs/dbraw/zinc/68/24/77/347682477.db2.gz LBLLRYHWWIDYJP-GFCCVEGCSA-N 1 2 279.340 2.036 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1NCC[N@@H+]1CCOC[C@H]1C ZINC000610468588 347682479 /nfs/dbraw/zinc/68/24/79/347682479.db2.gz LBLLRYHWWIDYJP-GFCCVEGCSA-N 1 2 279.340 2.036 20 5 CEBDLO CC(C)[N@H+](CCO)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351860574 219227704 /nfs/dbraw/zinc/22/77/04/219227704.db2.gz MGAYNXDYGTUDGH-UHFFFAOYSA-N 1 2 274.267 2.076 20 5 CEBDLO CC(C)[N@@H+](CCO)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351860574 219227706 /nfs/dbraw/zinc/22/77/06/219227706.db2.gz MGAYNXDYGTUDGH-UHFFFAOYSA-N 1 2 274.267 2.076 20 5 CEBDLO COc1ccc(NCc2csc([N+](=O)[O-])c2)[nH+]c1 ZINC000610890343 347720873 /nfs/dbraw/zinc/72/08/73/347720873.db2.gz HLOWGUVTXBKEBF-UHFFFAOYSA-N 1 2 265.294 2.094 20 5 CEBDLO COc1cc(C[N@@H+]2CCOCC2(C)C)ccc1[N+](=O)[O-] ZINC000351985555 219278405 /nfs/dbraw/zinc/27/84/05/219278405.db2.gz YXQDWTGSFGDWET-UHFFFAOYSA-N 1 2 280.324 2.214 20 5 CEBDLO COc1cc(C[N@H+]2CCOCC2(C)C)ccc1[N+](=O)[O-] ZINC000351985555 219278409 /nfs/dbraw/zinc/27/84/09/219278409.db2.gz YXQDWTGSFGDWET-UHFFFAOYSA-N 1 2 280.324 2.214 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@H](C)[C@H]1C ZINC000339573735 215251172 /nfs/dbraw/zinc/25/11/72/215251172.db2.gz OQVSZNWBSCHBOW-WDEREUQCSA-N 1 2 277.324 2.182 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@H](C)[C@H]1C ZINC000339573735 215251173 /nfs/dbraw/zinc/25/11/73/215251173.db2.gz OQVSZNWBSCHBOW-WDEREUQCSA-N 1 2 277.324 2.182 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000619784324 349235981 /nfs/dbraw/zinc/23/59/81/349235981.db2.gz TYWYLADUOHIGOW-BNOWGMLFSA-N 1 2 292.335 2.064 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000619784324 349235982 /nfs/dbraw/zinc/23/59/82/349235982.db2.gz TYWYLADUOHIGOW-BNOWGMLFSA-N 1 2 292.335 2.064 20 5 CEBDLO CCOc1cc(NCc2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000111050360 186348047 /nfs/dbraw/zinc/34/80/47/186348047.db2.gz ZXHFIRKMCGTOOS-UHFFFAOYSA-N 1 2 276.296 2.339 20 5 CEBDLO C[C@@H]1C[C@H](Nc2ncccc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000450835341 282793781 /nfs/dbraw/zinc/79/37/81/282793781.db2.gz WXHCEWGCQSYUFP-BDAKNGLRSA-N 1 2 259.269 2.304 20 5 CEBDLO Cc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC000072709808 363159754 /nfs/dbraw/zinc/15/97/54/363159754.db2.gz FUHOSTHIROWQCF-UHFFFAOYSA-N 1 2 271.276 2.479 20 5 CEBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCOCC12CCC2 ZINC000135514076 366449518 /nfs/dbraw/zinc/44/95/18/366449518.db2.gz QUXKJCXBHNQNSO-UHFFFAOYSA-N 1 2 262.309 2.350 20 5 CEBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCOCC12CCC2 ZINC000135514076 366449521 /nfs/dbraw/zinc/44/95/21/366449521.db2.gz QUXKJCXBHNQNSO-UHFFFAOYSA-N 1 2 262.309 2.350 20 5 CEBDLO C[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cnccn1 ZINC000080966351 363691751 /nfs/dbraw/zinc/69/17/51/363691751.db2.gz XQCJHRCSCFDZJW-UHFFFAOYSA-N 1 2 258.281 2.017 20 5 CEBDLO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cnccn1 ZINC000080966351 363691756 /nfs/dbraw/zinc/69/17/56/363691756.db2.gz XQCJHRCSCFDZJW-UHFFFAOYSA-N 1 2 258.281 2.017 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000339050187 366630475 /nfs/dbraw/zinc/63/04/75/366630475.db2.gz FVTBMLXENPDABB-RYUDHWBXSA-N 1 2 292.335 2.159 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000339050187 366630479 /nfs/dbraw/zinc/63/04/79/366630479.db2.gz FVTBMLXENPDABB-RYUDHWBXSA-N 1 2 292.335 2.159 20 5 CEBDLO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000579394151 366641524 /nfs/dbraw/zinc/64/15/24/366641524.db2.gz ZVIPAHLYWSABCN-SNVBAGLBSA-N 1 2 297.380 2.131 20 5 CEBDLO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000579394151 366641529 /nfs/dbraw/zinc/64/15/29/366641529.db2.gz ZVIPAHLYWSABCN-SNVBAGLBSA-N 1 2 297.380 2.131 20 5 CEBDLO CC(C)N(C)C(=O)[C@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000177650729 189061996 /nfs/dbraw/zinc/06/19/96/189061996.db2.gz IGVNHDUFBTYKBM-LBPRGKRZSA-N 1 2 293.367 2.282 20 5 CEBDLO CC(C)N(C)C(=O)[C@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000177650729 189061997 /nfs/dbraw/zinc/06/19/97/189061997.db2.gz IGVNHDUFBTYKBM-LBPRGKRZSA-N 1 2 293.367 2.282 20 5 CEBDLO C[N@@H+]1CCO[C@H](CSc2c(F)cccc2[N+](=O)[O-])C1 ZINC000571877922 299333357 /nfs/dbraw/zinc/33/33/57/299333357.db2.gz NWRMKRJKHZOBHS-VIFPVBQESA-N 1 2 286.328 2.157 20 5 CEBDLO C[N@H+]1CCO[C@H](CSc2c(F)cccc2[N+](=O)[O-])C1 ZINC000571877922 299333360 /nfs/dbraw/zinc/33/33/60/299333360.db2.gz NWRMKRJKHZOBHS-VIFPVBQESA-N 1 2 286.328 2.157 20 5 CEBDLO CC(C)(C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032145616 361731818 /nfs/dbraw/zinc/73/18/18/361731818.db2.gz BBVSSHAONGJLSF-UHFFFAOYSA-N 1 2 288.307 2.309 20 5 CEBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000090010313 364035152 /nfs/dbraw/zinc/03/51/52/364035152.db2.gz AQXZQUZLHSWKGX-CQSZACIVSA-N 1 2 292.335 2.084 20 5 CEBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCOC[C@@H]1C1CC1 ZINC000090010313 364035156 /nfs/dbraw/zinc/03/51/56/364035156.db2.gz AQXZQUZLHSWKGX-CQSZACIVSA-N 1 2 292.335 2.084 20 5 CEBDLO CC1(C)COCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774489 364295502 /nfs/dbraw/zinc/29/55/02/364295502.db2.gz ZWOSPNXORHIYGR-UHFFFAOYSA-N 1 2 268.288 2.345 20 5 CEBDLO CC1(C)COCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774489 364295506 /nfs/dbraw/zinc/29/55/06/364295506.db2.gz ZWOSPNXORHIYGR-UHFFFAOYSA-N 1 2 268.288 2.345 20 5 CEBDLO Cc1c(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cccc1[N+](=O)[O-] ZINC000582070885 366859664 /nfs/dbraw/zinc/85/96/64/366859664.db2.gz ANLXVPBNHUNYMU-VIFPVBQESA-N 1 2 288.307 2.444 20 5 CEBDLO Cc1c(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cccc1[N+](=O)[O-] ZINC000582070885 366859668 /nfs/dbraw/zinc/85/96/68/366859668.db2.gz ANLXVPBNHUNYMU-VIFPVBQESA-N 1 2 288.307 2.444 20 5 CEBDLO Cc1c[nH+]ccc1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342922912 367597928 /nfs/dbraw/zinc/59/79/28/367597928.db2.gz YVGURALHOKYRGV-UHFFFAOYSA-N 1 2 296.286 2.454 20 5 CEBDLO Cc1ccc([C@@H](C)[NH2+]Cc2nccc(N)n2)cc1[N+](=O)[O-] ZINC000181829791 368498507 /nfs/dbraw/zinc/49/85/07/368498507.db2.gz HFENCRFUSIQDCR-SNVBAGLBSA-N 1 2 287.323 2.126 20 5 CEBDLO COc1cc(C[NH2+][C@H](C)c2ccon2)ccc1[N+](=O)[O-] ZINC000349241436 369276540 /nfs/dbraw/zinc/27/65/40/369276540.db2.gz NGAWPDBYJPEAJY-SECBINFHSA-N 1 2 277.280 2.442 20 5 CEBDLO Cc1ccc(C[N@H+]2CC[C@H](C)[C@H](O)C2)cc1[N+](=O)[O-] ZINC000349386375 369317303 /nfs/dbraw/zinc/31/73/03/369317303.db2.gz SDYFLFVLYZJIAA-SMDDNHRTSA-N 1 2 264.325 2.106 20 5 CEBDLO Cc1ccc(C[N@@H+]2CC[C@H](C)[C@H](O)C2)cc1[N+](=O)[O-] ZINC000349386375 369317309 /nfs/dbraw/zinc/31/73/09/369317309.db2.gz SDYFLFVLYZJIAA-SMDDNHRTSA-N 1 2 264.325 2.106 20 5 CEBDLO O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cccc2[nH+]ccn21 ZINC000358760329 371209707 /nfs/dbraw/zinc/20/97/07/371209707.db2.gz CVGVQAYICXMOAQ-UHFFFAOYSA-N 1 2 296.286 2.424 20 5 CEBDLO Cc1c([C@@H](C)[NH2+][C@@H](C)c2nncn2C)cccc1[N+](=O)[O-] ZINC000268830506 372245158 /nfs/dbraw/zinc/24/51/58/372245158.db2.gz BZXWKGXYBWNQJT-MNOVXSKESA-N 1 2 289.339 2.444 20 5 CEBDLO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000331553517 296186022 /nfs/dbraw/zinc/18/60/22/296186022.db2.gz HDSMGKZIGRERDJ-LLVKDONJSA-N 1 2 289.295 2.013 20 5 CEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000367216056 373143642 /nfs/dbraw/zinc/14/36/42/373143642.db2.gz RRWGBNPWOYLFLQ-LBPRGKRZSA-N 1 2 287.323 2.060 20 5 CEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H]1c1ccncc1 ZINC000367216056 373143652 /nfs/dbraw/zinc/14/36/52/373143652.db2.gz RRWGBNPWOYLFLQ-LBPRGKRZSA-N 1 2 287.323 2.060 20 5 CEBDLO Cc1c(C[N@H+]2CC[S@](=O)CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000369341667 373390957 /nfs/dbraw/zinc/39/09/57/373390957.db2.gz FDRNRNNKTBZWMN-BIBXISHDSA-N 1 2 296.392 2.246 20 5 CEBDLO Cc1c(C[N@@H+]2CC[S@](=O)CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000369341667 373390962 /nfs/dbraw/zinc/39/09/62/373390962.db2.gz FDRNRNNKTBZWMN-BIBXISHDSA-N 1 2 296.392 2.246 20 5 CEBDLO CC(C)[NH+]1CC(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000275187838 374180425 /nfs/dbraw/zinc/18/04/25/374180425.db2.gz FDUKHDKBDOPBDR-UHFFFAOYSA-N 1 2 297.742 2.071 20 5 CEBDLO C[C@H]1COCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000407980266 375389124 /nfs/dbraw/zinc/38/91/24/375389124.db2.gz GOFICTUBOFYNBL-SECBINFHSA-N 1 2 256.327 2.125 20 5 CEBDLO C[C@H]1COCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000407980266 375389127 /nfs/dbraw/zinc/38/91/27/375389127.db2.gz GOFICTUBOFYNBL-SECBINFHSA-N 1 2 256.327 2.125 20 5 CEBDLO CCc1nc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)no1 ZINC000282415021 375478549 /nfs/dbraw/zinc/47/85/49/375478549.db2.gz ITRZQCXAQWOCSC-UHFFFAOYSA-N 1 2 290.323 2.215 20 5 CEBDLO CCc1nc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)no1 ZINC000282415021 375478558 /nfs/dbraw/zinc/47/85/58/375478558.db2.gz ITRZQCXAQWOCSC-UHFFFAOYSA-N 1 2 290.323 2.215 20 5 CEBDLO CCc1nnc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)s1 ZINC000289830805 376522373 /nfs/dbraw/zinc/52/23/73/376522373.db2.gz OIJZRJFWVJJOQI-UHFFFAOYSA-N 1 2 278.337 2.299 20 5 CEBDLO COCc1cc([N+](=O)[O-])ccc1N[C@@H](C)Cn1cc[nH+]c1 ZINC000290463965 376790131 /nfs/dbraw/zinc/79/01/31/376790131.db2.gz FQYMSFFZEFFUFF-NSHDSACASA-N 1 2 290.323 2.438 20 5 CEBDLO Cc1[nH+]c(C(C)C)ccc1Cn1cnc([N+](=O)[O-])n1 ZINC000292789806 377283448 /nfs/dbraw/zinc/28/34/48/377283448.db2.gz ZHTPAWVUJPCZRR-UHFFFAOYSA-N 1 2 261.285 2.061 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H](C)[C@H]1C ZINC000293172054 377457457 /nfs/dbraw/zinc/45/74/57/377457457.db2.gz WEPKVQXTWMYUHW-GHMZBOCLSA-N 1 2 277.324 2.182 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](C)[C@H]1C ZINC000293172054 377457460 /nfs/dbraw/zinc/45/74/60/377457460.db2.gz WEPKVQXTWMYUHW-GHMZBOCLSA-N 1 2 277.324 2.182 20 5 CEBDLO CC[C@@](C)([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000265442719 190182881 /nfs/dbraw/zinc/18/28/81/190182881.db2.gz QMUSYMLEAYCNSX-CQSZACIVSA-N 1 2 280.324 2.069 20 5 CEBDLO C[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ncn(C)n1 ZINC000436397773 377824361 /nfs/dbraw/zinc/82/43/61/377824361.db2.gz AODPJDCVZMITDK-XOIDGJRKSA-N 1 2 287.323 2.087 20 5 CEBDLO COc1cc(C[NH+]2CC3(CC3)C2)c([N+](=O)[O-])cc1OC ZINC000449371371 378206035 /nfs/dbraw/zinc/20/60/35/378206035.db2.gz UGNCDSDSZBPNIF-UHFFFAOYSA-N 1 2 278.308 2.208 20 5 CEBDLO O=[N+]([O-])c1ccc(N2CCCC[C@@H]2c2[nH]cc[nH+]2)cn1 ZINC000450369177 378378859 /nfs/dbraw/zinc/37/88/59/378378859.db2.gz NAHPPVVRSPEZSV-LLVKDONJSA-N 1 2 273.296 2.445 20 5 CEBDLO CCn1cc[nH+]c1[C@@H](C)Nc1ncccc1[N+](=O)[O-] ZINC000450836410 378604686 /nfs/dbraw/zinc/60/46/86/378604686.db2.gz YVIJUJBPZYPCCI-SECBINFHSA-N 1 2 261.285 2.379 20 5 CEBDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000347521596 218261062 /nfs/dbraw/zinc/26/10/62/218261062.db2.gz VEMSNGNWEVWKJP-UHFFFAOYSA-N 1 2 299.290 2.071 20 5 CEBDLO O=[N+]([O-])c1cccnc1N1CCCN(c2cccc[nH+]2)CC1 ZINC000302234862 379339209 /nfs/dbraw/zinc/33/92/09/379339209.db2.gz UOPFKDRXXSIIQV-UHFFFAOYSA-N 1 2 299.334 2.102 20 5 CEBDLO CC[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1nc(C)cs1 ZINC000347627984 218297831 /nfs/dbraw/zinc/29/78/31/218297831.db2.gz YSWWGQYAYJBPIV-SECBINFHSA-N 1 2 295.368 2.334 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)c(F)c1 ZINC000267043558 285113639 /nfs/dbraw/zinc/11/36/39/285113639.db2.gz PIABXZOULNBVMY-UONOGXRCSA-N 1 2 280.299 2.487 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)c(F)c1 ZINC000267043558 285113641 /nfs/dbraw/zinc/11/36/41/285113641.db2.gz PIABXZOULNBVMY-UONOGXRCSA-N 1 2 280.299 2.487 20 5 CEBDLO C[C@H](O)CCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413259958 394513968 /nfs/dbraw/zinc/51/39/68/394513968.db2.gz DSEWZIIOLLJBSX-JTQLQIEISA-N 1 2 275.308 2.138 20 5 CEBDLO C[C@H](O)CCN(C)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413173547 394497736 /nfs/dbraw/zinc/49/77/36/394497736.db2.gz PHOJMXXNFLIJKP-JTQLQIEISA-N 1 2 275.308 2.350 20 5 CEBDLO C[C@@H]1C[C@@H](C[NH+]=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)[C@H](C)O1 ZINC000413540841 394578082 /nfs/dbraw/zinc/57/80/82/394578082.db2.gz VGXRECVBKFDUAN-UTLUCORTSA-N 1 2 290.323 2.118 20 5 CEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)Cc1cccs1 ZINC000355789490 394532681 /nfs/dbraw/zinc/53/26/81/394532681.db2.gz DAJNTAZQNCKNBA-UHFFFAOYSA-N 1 2 266.326 2.022 20 5 CEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)Cc1cccs1 ZINC000355789490 394532683 /nfs/dbraw/zinc/53/26/83/394532683.db2.gz DAJNTAZQNCKNBA-UHFFFAOYSA-N 1 2 266.326 2.022 20 5 CEBDLO O=C(Nc1cc[nH+]cc1O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000358357904 394719949 /nfs/dbraw/zinc/71/99/49/394719949.db2.gz RIFHAVMJUVXJPX-UHFFFAOYSA-N 1 2 293.666 2.023 20 5 CEBDLO CCn1cc[nH+]c1CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000195514508 395467686 /nfs/dbraw/zinc/46/76/86/395467686.db2.gz RBRLGRRNJIFBLJ-UHFFFAOYSA-N 1 2 274.324 2.443 20 5 CEBDLO C[C@H]1CCN(c2ncc([N+](=O)[O-])s2)C[C@@H]1n1cc[nH+]c1 ZINC000192488182 153208120 /nfs/dbraw/zinc/20/81/20/153208120.db2.gz SDYUVIKYPSVPCD-UWVGGRQHSA-N 1 2 293.352 2.335 20 5 CEBDLO Cc1cc(-n2cc[nH+]c2)ccc1Cn1cnc([N+](=O)[O-])c1 ZINC000194530399 153257379 /nfs/dbraw/zinc/25/73/79/153257379.db2.gz LYGMSKUNBAPVRF-UHFFFAOYSA-N 1 2 283.291 2.334 20 5 CEBDLO O=[N+]([O-])c1cnn(Cc2[nH+]ccn2Cc2ccccc2)c1 ZINC000078387060 177336474 /nfs/dbraw/zinc/33/64/74/177336474.db2.gz DKGYXQJULPOQGS-UHFFFAOYSA-N 1 2 283.291 2.084 20 5 CEBDLO O=[N+]([O-])c1cccc(OCCOc2cc[nH+]cc2)c1 ZINC000356099894 228119707 /nfs/dbraw/zinc/11/97/07/228119707.db2.gz RVHQAIOGYATBLS-UHFFFAOYSA-N 1 2 260.249 2.448 20 5 CEBDLO CC(C)([NH2+]Cc1ncccn1)c1ccccc1[N+](=O)[O-] ZINC000429263528 271316518 /nfs/dbraw/zinc/31/65/18/271316518.db2.gz XYTDBAWUFUVCDT-UHFFFAOYSA-N 1 2 272.308 2.410 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000430195964 271361466 /nfs/dbraw/zinc/36/14/66/271361466.db2.gz PWKYIMVLRDAOPV-WDEREUQCSA-N 1 2 280.324 2.213 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000430195964 271361468 /nfs/dbraw/zinc/36/14/68/271361468.db2.gz PWKYIMVLRDAOPV-WDEREUQCSA-N 1 2 280.324 2.213 20 5 CEBDLO CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448645392 281955823 /nfs/dbraw/zinc/95/58/23/281955823.db2.gz XUXOHDZCBAZEMJ-UHFFFAOYSA-N 1 2 288.307 2.309 20 5 CEBDLO COC1C[NH+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000459580682 290185124 /nfs/dbraw/zinc/18/51/24/290185124.db2.gz LEAORMIMECNVFB-WDZFZDKYSA-N 1 2 262.309 2.329 20 5 CEBDLO C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccn(C)n1 ZINC000459762684 290231680 /nfs/dbraw/zinc/23/16/80/290231680.db2.gz UFPSMHLYSOCJIL-QMMMGPOBSA-N 1 2 266.326 2.241 20 5 CEBDLO Cc1n[nH]cc1C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000356518488 293136360 /nfs/dbraw/zinc/13/63/60/293136360.db2.gz DVSLPLMCQVFLFY-UHFFFAOYSA-N 1 2 288.307 2.021 20 5 CEBDLO Cc1n[nH]cc1C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000356518488 293136365 /nfs/dbraw/zinc/13/63/65/293136365.db2.gz DVSLPLMCQVFLFY-UHFFFAOYSA-N 1 2 288.307 2.021 20 5 CEBDLO CCCC[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000548055130 298390100 /nfs/dbraw/zinc/39/01/00/298390100.db2.gz RQMWVEQWZXVKLS-ZDUSSCGKSA-N 1 2 294.351 2.459 20 5 CEBDLO COc1ccc(NC(=O)C[N@H+]2[C@H](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000548095857 298393404 /nfs/dbraw/zinc/39/34/04/298393404.db2.gz QNIARFNRRZERJS-AOOOYVTPSA-N 1 2 293.323 2.025 20 5 CEBDLO COc1ccc(NC(=O)C[N@@H+]2[C@H](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000548095857 298393406 /nfs/dbraw/zinc/39/34/06/298393406.db2.gz QNIARFNRRZERJS-AOOOYVTPSA-N 1 2 293.323 2.025 20 5 CEBDLO O=[N+]([O-])c1cnn(CCCc2[nH]c3ccccc3[nH+]2)c1 ZINC000584327975 327743134 /nfs/dbraw/zinc/74/31/34/327743134.db2.gz OWJIUTYYCIXGPU-UHFFFAOYSA-N 1 2 271.280 2.300 20 5 CEBDLO Cc1ccc(C[N@@H+]2CCO[C@@H](CF)C2)cc1[N+](=O)[O-] ZINC000414473608 533938717 /nfs/dbraw/zinc/93/87/17/533938717.db2.gz WFBRFVGHKJBMRJ-LBPRGKRZSA-N 1 2 268.288 2.074 20 5 CEBDLO Cc1ccc(C[N@H+]2CCO[C@@H](CF)C2)cc1[N+](=O)[O-] ZINC000414473608 533938722 /nfs/dbraw/zinc/93/87/22/533938722.db2.gz WFBRFVGHKJBMRJ-LBPRGKRZSA-N 1 2 268.288 2.074 20 5 CEBDLO Cc1ccc2[nH+]c(CNc3ncc([N+](=O)[O-])s3)cn2c1 ZINC000357524694 534496103 /nfs/dbraw/zinc/49/61/03/534496103.db2.gz CUZQUSXVZWTBMQ-UHFFFAOYSA-N 1 2 289.320 2.041 20 5 CEBDLO CCOC(=O)C[N@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000050508264 520747276 /nfs/dbraw/zinc/74/72/76/520747276.db2.gz WKXIUGODEOXZBZ-SNVBAGLBSA-N 1 2 266.297 2.151 20 5 CEBDLO CCOC(=O)C[N@@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000050508264 520747280 /nfs/dbraw/zinc/74/72/80/520747280.db2.gz WKXIUGODEOXZBZ-SNVBAGLBSA-N 1 2 266.297 2.151 20 5 CEBDLO COC(=O)C[N@H+](C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182615393 523149262 /nfs/dbraw/zinc/14/92/62/523149262.db2.gz IIUKQKGUXYWYGK-JTQLQIEISA-N 1 2 266.297 2.069 20 5 CEBDLO COC(=O)C[N@@H+](C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182615393 523149273 /nfs/dbraw/zinc/14/92/73/523149273.db2.gz IIUKQKGUXYWYGK-JTQLQIEISA-N 1 2 266.297 2.069 20 5 CEBDLO CC[N@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1cccc(F)c1 ZINC000355805722 528760299 /nfs/dbraw/zinc/76/02/99/528760299.db2.gz VZLPUQPBULSHMK-UHFFFAOYSA-N 1 2 292.314 2.490 20 5 CEBDLO CC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1cccc(F)c1 ZINC000355805722 528760301 /nfs/dbraw/zinc/76/03/01/528760301.db2.gz VZLPUQPBULSHMK-UHFFFAOYSA-N 1 2 292.314 2.490 20 5 CEBDLO Cc1ncoc1C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000894027285 629094989 /nfs/dbraw/zinc/09/49/89/629094989.db2.gz MAEZKIJJTTWDMR-UHFFFAOYSA-N 1 2 273.292 2.450 20 5 CEBDLO Cc1ncoc1C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000894027285 629094993 /nfs/dbraw/zinc/09/49/93/629094993.db2.gz MAEZKIJJTTWDMR-UHFFFAOYSA-N 1 2 273.292 2.450 20 5 CEBDLO Cc1cnc(NCc2cc(N(C)C)cc[nH+]2)c([N+](=O)[O-])c1 ZINC000895466854 630207771 /nfs/dbraw/zinc/20/77/71/630207771.db2.gz WZFJRLAGWULNKH-UHFFFAOYSA-N 1 2 287.323 2.371 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1cn(C)cn1 ZINC000903352989 635081959 /nfs/dbraw/zinc/08/19/59/635081959.db2.gz YDFHKYBKPLORSP-SNVBAGLBSA-N 1 2 290.323 2.188 20 5 CEBDLO CC[NH2+]Cc1noc([C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)n1 ZINC000904499775 635657468 /nfs/dbraw/zinc/65/74/68/635657468.db2.gz HXJRIDOUWDQRLH-RYUDHWBXSA-N 1 2 288.307 2.358 20 5 CEBDLO Cc1noc(-c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC000904578858 635669847 /nfs/dbraw/zinc/66/98/47/635669847.db2.gz ITFKKAZRSGXZLL-UHFFFAOYSA-N 1 2 271.236 2.139 20 5 CEBDLO CC(=O)OC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000153075195 640398023 /nfs/dbraw/zinc/39/80/23/640398023.db2.gz IETQUSOXTYWWCD-UHFFFAOYSA-N 1 2 284.337 2.184 20 5 CEBDLO CC1=CCC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853510500 643796899 /nfs/dbraw/zinc/79/68/99/643796899.db2.gz KIMMLWWDTYCUPF-UHFFFAOYSA-N 1 2 299.334 2.463 20 5 CEBDLO CC1=CCC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853510500 643796902 /nfs/dbraw/zinc/79/69/02/643796902.db2.gz KIMMLWWDTYCUPF-UHFFFAOYSA-N 1 2 299.334 2.463 20 5 CEBDLO CCC1(CC)C[N@H+](Cn2nccc2[N+](=O)[O-])CCS1 ZINC000767481666 645996864 /nfs/dbraw/zinc/99/68/64/645996864.db2.gz XPRYRYVBTMMCPO-UHFFFAOYSA-N 1 2 284.385 2.356 20 5 CEBDLO CCC1(CC)C[N@@H+](Cn2nccc2[N+](=O)[O-])CCS1 ZINC000767481666 645996865 /nfs/dbraw/zinc/99/68/65/645996865.db2.gz XPRYRYVBTMMCPO-UHFFFAOYSA-N 1 2 284.385 2.356 20 5 CEBDLO CCCn1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)nn1 ZINC000865581439 647369513 /nfs/dbraw/zinc/36/95/13/647369513.db2.gz MRFNBJUUBBZQEB-NSHDSACASA-N 1 2 289.339 2.447 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(C(=O)OCCCn2cc[nH+]c2)c1 ZINC000783884119 647775037 /nfs/dbraw/zinc/77/50/37/647775037.db2.gz FMGCDCHVGVJRTM-UHFFFAOYSA-N 1 2 289.291 2.347 20 5 CEBDLO CCn1nncc1C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872088439 649270013 /nfs/dbraw/zinc/27/00/13/649270013.db2.gz RCSUVYJWUMDOPU-VIFPVBQESA-N 1 2 293.302 2.196 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1cocn1 ZINC000873047961 649543225 /nfs/dbraw/zinc/54/32/25/649543225.db2.gz KHOLORLHEOZAPN-UHFFFAOYSA-N 1 2 261.281 2.489 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)OCc1c[nH+]cn1C ZINC000873507718 649690884 /nfs/dbraw/zinc/69/08/84/649690884.db2.gz DGDZGEXDHFESQL-UHFFFAOYSA-N 1 2 289.291 2.302 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(F)CC1 ZINC000880241146 651407521 /nfs/dbraw/zinc/40/75/21/651407521.db2.gz DUIDXQGQFVUKAS-UHFFFAOYSA-N 1 2 295.314 2.276 20 5 CEBDLO CC(=O)c1c(N[C@H](C)Cn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000881801472 651887672 /nfs/dbraw/zinc/88/76/72/651887672.db2.gz IUYLEYBLQBDQIY-SNVBAGLBSA-N 1 2 288.307 2.495 20 5 CEBDLO Cc1cc(NC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])cc[nH+]1 ZINC001266883275 802969251 /nfs/dbraw/zinc/96/92/51/802969251.db2.gz RWPAXLAPZMPKNN-UHFFFAOYSA-N 1 2 289.266 2.420 20 5 CEBDLO CC[C@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C(=O)OC ZINC001254532884 812462588 /nfs/dbraw/zinc/46/25/88/812462588.db2.gz ROCIJHXUMGXXMW-PWSUYJOCSA-N 1 2 280.324 2.067 20 5 CEBDLO C[C@@H]([NH2+][C@@H](C)c1nncn1C)c1cccc([N+](=O)[O-])c1 ZINC000037016375 361883518 /nfs/dbraw/zinc/88/35/18/361883518.db2.gz MALJEDDVWJFQDR-ZJUUUORDSA-N 1 2 275.312 2.135 20 5 CEBDLO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000046783574 343504109 /nfs/dbraw/zinc/50/41/09/343504109.db2.gz KTACAJLEDKBCGJ-NSHDSACASA-N 1 2 293.367 2.330 20 5 CEBDLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000046783574 343504110 /nfs/dbraw/zinc/50/41/10/343504110.db2.gz KTACAJLEDKBCGJ-NSHDSACASA-N 1 2 293.367 2.330 20 5 CEBDLO Cc1c(C[N@H+]2CCOC[C@H]2C)cccc1[N+](=O)[O-] ZINC000051687580 343552049 /nfs/dbraw/zinc/55/20/49/343552049.db2.gz TYQVUFCLIBJQTH-SNVBAGLBSA-N 1 2 250.298 2.124 20 5 CEBDLO Cc1c(C[N@@H+]2CCOC[C@H]2C)cccc1[N+](=O)[O-] ZINC000051687580 343552050 /nfs/dbraw/zinc/55/20/50/343552050.db2.gz TYQVUFCLIBJQTH-SNVBAGLBSA-N 1 2 250.298 2.124 20 5 CEBDLO Cc1cnc(N2CCN(c3cccc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000078624641 343959346 /nfs/dbraw/zinc/95/93/46/343959346.db2.gz IWTQYKISXIDHQE-UHFFFAOYSA-N 1 2 299.334 2.020 20 5 CEBDLO CC[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093321577 344219455 /nfs/dbraw/zinc/21/94/55/344219455.db2.gz ZIDPNTYQJQQZGX-HUUCEWRRSA-N 1 2 294.351 2.426 20 5 CEBDLO CC[C@@H](O)[C@H]1CCCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093321577 344219456 /nfs/dbraw/zinc/21/94/56/344219456.db2.gz ZIDPNTYQJQQZGX-HUUCEWRRSA-N 1 2 294.351 2.426 20 5 CEBDLO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093321575 344219484 /nfs/dbraw/zinc/21/94/84/344219484.db2.gz ZIDPNTYQJQQZGX-LSDHHAIUSA-N 1 2 294.351 2.426 20 5 CEBDLO CC[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093321575 344219485 /nfs/dbraw/zinc/21/94/85/344219485.db2.gz ZIDPNTYQJQQZGX-LSDHHAIUSA-N 1 2 294.351 2.426 20 5 CEBDLO C[C@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1C ZINC000093503307 344226341 /nfs/dbraw/zinc/22/63/41/344226341.db2.gz NZWUTQVZVJSDAP-AOOOYVTPSA-N 1 2 250.298 2.388 20 5 CEBDLO C[C@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1C ZINC000093503307 344226342 /nfs/dbraw/zinc/22/63/42/344226342.db2.gz NZWUTQVZVJSDAP-AOOOYVTPSA-N 1 2 250.298 2.388 20 5 CEBDLO Cn1cc[nH+]c1CNc1ccc(F)cc1[N+](=O)[O-] ZINC000051921924 362449749 /nfs/dbraw/zinc/44/97/49/362449749.db2.gz HZNJVBHJUIBOFT-UHFFFAOYSA-N 1 2 250.233 2.080 20 5 CEBDLO C[C@H]([NH2+]Cc1cn(C)cn1)c1ccccc1[N+](=O)[O-] ZINC000588926851 345060850 /nfs/dbraw/zinc/06/08/50/345060850.db2.gz CJCGJAPDDKMVBM-JTQLQIEISA-N 1 2 260.297 2.179 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1cc[nH]n1 ZINC000595018348 345727842 /nfs/dbraw/zinc/72/78/42/345727842.db2.gz NSFFPAFTWKCIED-SECBINFHSA-N 1 2 276.296 2.177 20 5 CEBDLO Cc1noc(C[N@@H+](C)[C@@H](CO)c2ccccc2)c1[N+](=O)[O-] ZINC000595303616 345758680 /nfs/dbraw/zinc/75/86/80/345758680.db2.gz AKHIYLKVBIGKQV-LBPRGKRZSA-N 1 2 291.307 2.057 20 5 CEBDLO Cc1noc(C[N@H+](C)[C@@H](CO)c2ccccc2)c1[N+](=O)[O-] ZINC000595303616 345758683 /nfs/dbraw/zinc/75/86/83/345758683.db2.gz AKHIYLKVBIGKQV-LBPRGKRZSA-N 1 2 291.307 2.057 20 5 CEBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000595403554 345774318 /nfs/dbraw/zinc/77/43/18/345774318.db2.gz DBGDMZPLABEQCZ-CQSZACIVSA-N 1 2 280.299 2.345 20 5 CEBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000595403554 345774323 /nfs/dbraw/zinc/77/43/23/345774323.db2.gz DBGDMZPLABEQCZ-CQSZACIVSA-N 1 2 280.299 2.345 20 5 CEBDLO O=[N+]([O-])c1cc(Cl)ccc1CN1CCn2c[nH+]cc2C1 ZINC000595494070 345795816 /nfs/dbraw/zinc/79/58/16/345795816.db2.gz JLKNGPVTSPPGAS-UHFFFAOYSA-N 1 2 292.726 2.461 20 5 CEBDLO C[C@@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H]1CCO ZINC000595695390 345851129 /nfs/dbraw/zinc/85/11/29/345851129.db2.gz HFCHMWJTTLRRMD-RISCZKNCSA-N 1 2 294.351 2.283 20 5 CEBDLO C[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H]1CCO ZINC000595695390 345851131 /nfs/dbraw/zinc/85/11/31/345851131.db2.gz HFCHMWJTTLRRMD-RISCZKNCSA-N 1 2 294.351 2.283 20 5 CEBDLO CC[N@@H+]1CCN(c2c(Cl)cncc2[N+](=O)[O-])C[C@H]1C ZINC000596172243 345959344 /nfs/dbraw/zinc/95/93/44/345959344.db2.gz JFJXODLXZMIKED-SECBINFHSA-N 1 2 284.747 2.174 20 5 CEBDLO CC[N@H+]1CCN(c2c(Cl)cncc2[N+](=O)[O-])C[C@H]1C ZINC000596172243 345959346 /nfs/dbraw/zinc/95/93/46/345959346.db2.gz JFJXODLXZMIKED-SECBINFHSA-N 1 2 284.747 2.174 20 5 CEBDLO Cc1cc(N[C@H](C)C[NH+]2CCOCC2)c([N+](=O)[O-])s1 ZINC000596076345 345934223 /nfs/dbraw/zinc/93/42/23/345934223.db2.gz PSUCYUWHAKPGBE-SECBINFHSA-N 1 2 285.369 2.097 20 5 CEBDLO Cc1nc(N[C@H](C)c2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000596542724 346050560 /nfs/dbraw/zinc/05/05/60/346050560.db2.gz PLKACASOLYQHNF-SECBINFHSA-N 1 2 261.285 2.205 20 5 CEBDLO Cc1nnc(C[N@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])o1 ZINC000597199020 346146775 /nfs/dbraw/zinc/14/67/75/346146775.db2.gz QUHVPBXRJOIQPB-FNORWQNLSA-N 1 2 288.307 2.431 20 5 CEBDLO Cc1nnc(C[N@@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])o1 ZINC000597199020 346146777 /nfs/dbraw/zinc/14/67/77/346146777.db2.gz QUHVPBXRJOIQPB-FNORWQNLSA-N 1 2 288.307 2.431 20 5 CEBDLO C[C@H](C(=O)N(C)Cc1c[nH+]c[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000597857562 346238665 /nfs/dbraw/zinc/23/86/65/346238665.db2.gz NGRAWLVIXRHSIQ-JTQLQIEISA-N 1 2 288.307 2.080 20 5 CEBDLO C[C@H](C(=O)N(C)Cc1c[nH]c[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000597857562 346238669 /nfs/dbraw/zinc/23/86/69/346238669.db2.gz NGRAWLVIXRHSIQ-JTQLQIEISA-N 1 2 288.307 2.080 20 5 CEBDLO COc1cncc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000599260314 346485722 /nfs/dbraw/zinc/48/57/22/346485722.db2.gz YMIPIICFVQAUFR-UHFFFAOYSA-N 1 2 288.307 2.025 20 5 CEBDLO COc1cncc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000599260314 346485723 /nfs/dbraw/zinc/48/57/23/346485723.db2.gz YMIPIICFVQAUFR-UHFFFAOYSA-N 1 2 288.307 2.025 20 5 CEBDLO CCOC[C@H]1C[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000599618838 346547084 /nfs/dbraw/zinc/54/70/84/346547084.db2.gz NPRRLASBRPOJNG-SWLSCSKDSA-N 1 2 294.351 2.393 20 5 CEBDLO CCOC[C@H]1C[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000599618838 346547088 /nfs/dbraw/zinc/54/70/88/346547088.db2.gz NPRRLASBRPOJNG-SWLSCSKDSA-N 1 2 294.351 2.393 20 5 CEBDLO Cc1cc(F)ccc1C[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602629045 347111423 /nfs/dbraw/zinc/11/14/23/347111423.db2.gz FBGJJCPAOYUZSE-UHFFFAOYSA-N 1 2 292.314 2.408 20 5 CEBDLO Cc1cc(F)ccc1C[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602629045 347111426 /nfs/dbraw/zinc/11/14/26/347111426.db2.gz FBGJJCPAOYUZSE-UHFFFAOYSA-N 1 2 292.314 2.408 20 5 CEBDLO C[C@@H](Nc1ncc(F)cc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000601199474 346785282 /nfs/dbraw/zinc/78/52/82/346785282.db2.gz VOUKXOWGTVHKGQ-SSDOTTSWSA-N 1 2 265.248 2.036 20 5 CEBDLO C[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000602848404 347223470 /nfs/dbraw/zinc/22/34/70/347223470.db2.gz NFFHYVLFTNCTGN-IJLUTSLNSA-N 1 2 291.351 2.034 20 5 CEBDLO C[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000602848404 347223474 /nfs/dbraw/zinc/22/34/74/347223474.db2.gz NFFHYVLFTNCTGN-IJLUTSLNSA-N 1 2 291.351 2.034 20 5 CEBDLO C[C@@H]1[C@@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C(=O)N1C ZINC000602848377 347223752 /nfs/dbraw/zinc/22/37/52/347223752.db2.gz MMZLEEFFRMXHDM-UTUOFQBUSA-N 1 2 291.351 2.034 20 5 CEBDLO C[C@@H]1[C@@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C(=O)N1C ZINC000602848377 347223754 /nfs/dbraw/zinc/22/37/54/347223754.db2.gz MMZLEEFFRMXHDM-UTUOFQBUSA-N 1 2 291.351 2.034 20 5 CEBDLO CC1(C)C[N@H+](CCNc2ccc([N+](=O)[O-])s2)CCO1 ZINC000608779016 347615994 /nfs/dbraw/zinc/61/59/94/347615994.db2.gz LVSPBEQOTJJQPL-UHFFFAOYSA-N 1 2 285.369 2.179 20 5 CEBDLO CC1(C)C[N@@H+](CCNc2ccc([N+](=O)[O-])s2)CCO1 ZINC000608779016 347615997 /nfs/dbraw/zinc/61/59/97/347615997.db2.gz LVSPBEQOTJJQPL-UHFFFAOYSA-N 1 2 285.369 2.179 20 5 CEBDLO CC1(C)C[N@H+](CCNc2ccsc2[N+](=O)[O-])CCO1 ZINC000608779029 347616275 /nfs/dbraw/zinc/61/62/75/347616275.db2.gz SZJGWCRBOMTZKJ-UHFFFAOYSA-N 1 2 285.369 2.179 20 5 CEBDLO CC1(C)C[N@@H+](CCNc2ccsc2[N+](=O)[O-])CCO1 ZINC000608779029 347616278 /nfs/dbraw/zinc/61/62/78/347616278.db2.gz SZJGWCRBOMTZKJ-UHFFFAOYSA-N 1 2 285.369 2.179 20 5 CEBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000609623159 347646994 /nfs/dbraw/zinc/64/69/94/347646994.db2.gz QFMKEZRVMCXIRG-UHFFFAOYSA-N 1 2 297.274 2.198 20 5 CEBDLO CCc1noc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000611383360 347771402 /nfs/dbraw/zinc/77/14/02/347771402.db2.gz RWBJDYOOYHAJOD-SECBINFHSA-N 1 2 276.296 2.391 20 5 CEBDLO CCO[C@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000610930460 347723372 /nfs/dbraw/zinc/72/33/72/347723372.db2.gz KMSLKBJTLCDSEQ-ZDUSSCGKSA-N 1 2 280.324 2.301 20 5 CEBDLO CCO[C@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000610930460 347723374 /nfs/dbraw/zinc/72/33/74/347723374.db2.gz KMSLKBJTLCDSEQ-ZDUSSCGKSA-N 1 2 280.324 2.301 20 5 CEBDLO C[C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1F ZINC000611521518 347790846 /nfs/dbraw/zinc/79/08/46/347790846.db2.gz NZPQLTHCMAIRNA-SKDRFNHKSA-N 1 2 268.288 2.480 20 5 CEBDLO C[C@@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1F ZINC000611521518 347790848 /nfs/dbraw/zinc/79/08/48/347790848.db2.gz NZPQLTHCMAIRNA-SKDRFNHKSA-N 1 2 268.288 2.480 20 5 CEBDLO O=[N+]([O-])c1ccc(NCc2ccn3cc[nH+]c3c2)cn1 ZINC000357432699 233070065 /nfs/dbraw/zinc/07/00/65/233070065.db2.gz FIFCXXBDPDDXEL-UHFFFAOYSA-N 1 2 269.264 2.250 20 5 CEBDLO Cc1c(C[N@@H+]2CCO[C@H](CF)C2)cccc1[N+](=O)[O-] ZINC000411863973 233292192 /nfs/dbraw/zinc/29/21/92/233292192.db2.gz STPNGMMBJWHBKL-GFCCVEGCSA-N 1 2 268.288 2.074 20 5 CEBDLO Cc1c(C[N@H+]2CCO[C@H](CF)C2)cccc1[N+](=O)[O-] ZINC000411863973 233292195 /nfs/dbraw/zinc/29/21/95/233292195.db2.gz STPNGMMBJWHBKL-GFCCVEGCSA-N 1 2 268.288 2.074 20 5 CEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N[C@H]3CC[S@](=O)C3)c2c1 ZINC000413158850 233533842 /nfs/dbraw/zinc/53/38/42/233533842.db2.gz AKCTTYNOPKUERO-FVINQWEUSA-N 1 2 291.332 2.076 20 5 CEBDLO O=[N+]([O-])c1cccc(F)c1COCc1[nH]cc[nH+]1 ZINC000123800102 187109084 /nfs/dbraw/zinc/10/90/84/187109084.db2.gz BPNVUYKVJDRWNN-UHFFFAOYSA-N 1 2 251.217 2.174 20 5 CEBDLO O=C(N[C@@H]1CC12CC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000424986672 540367843 /nfs/dbraw/zinc/36/78/43/540367843.db2.gz NHWRMRMAVLHGBI-CYBMUJFWSA-N 1 2 298.302 2.063 20 5 CEBDLO CCn1cc[nH+]c1CNc1nccc(C)c1[N+](=O)[O-] ZINC000294865174 199220645 /nfs/dbraw/zinc/22/06/45/199220645.db2.gz ANQWNVNHQLAIRQ-UHFFFAOYSA-N 1 2 261.285 2.127 20 5 CEBDLO COC[C@H]1CC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000339285362 366696327 /nfs/dbraw/zinc/69/63/27/366696327.db2.gz SWRLLRYIGZUMCJ-SECBINFHSA-N 1 2 270.716 2.469 20 5 CEBDLO COC[C@H]1CC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000339285362 366696335 /nfs/dbraw/zinc/69/63/35/366696335.db2.gz SWRLLRYIGZUMCJ-SECBINFHSA-N 1 2 270.716 2.469 20 5 CEBDLO CC(C)[C@H](CNc1sccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000301917249 201260661 /nfs/dbraw/zinc/26/06/61/201260661.db2.gz ATGVEYZTNJCOTB-LBPRGKRZSA-N 1 2 299.396 2.425 20 5 CEBDLO COc1cc(F)c([N+](=O)[O-])c(N(C)Cc2[nH+]ccn2C)c1 ZINC000301947082 201271923 /nfs/dbraw/zinc/27/19/23/201271923.db2.gz XVPLFAIXHWVPOL-UHFFFAOYSA-N 1 2 294.286 2.112 20 5 CEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCSCC2)cc1F ZINC000094774217 364293634 /nfs/dbraw/zinc/29/36/34/364293634.db2.gz DMYGUNRCNVWAKE-UHFFFAOYSA-N 1 2 256.302 2.283 20 5 CEBDLO CCN(CC)C(=O)C[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774579 364295170 /nfs/dbraw/zinc/29/51/70/364295170.db2.gz BVHBDDRMLFYUJI-UHFFFAOYSA-N 1 2 297.330 2.034 20 5 CEBDLO CCN(CC)C(=O)C[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774579 364295173 /nfs/dbraw/zinc/29/51/73/364295173.db2.gz BVHBDDRMLFYUJI-UHFFFAOYSA-N 1 2 297.330 2.034 20 5 CEBDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000346450669 368679398 /nfs/dbraw/zinc/67/93/98/368679398.db2.gz JGKFALHUBYJGAP-UHFFFAOYSA-N 1 2 299.290 2.071 20 5 CEBDLO CC(C)[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000330739893 203174943 /nfs/dbraw/zinc/17/49/43/203174943.db2.gz OQMDXDBPMXCMLL-AWEZNQCLSA-N 1 2 264.325 2.452 20 5 CEBDLO CC(C)[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000330739893 203174947 /nfs/dbraw/zinc/17/49/47/203174947.db2.gz OQMDXDBPMXCMLL-AWEZNQCLSA-N 1 2 264.325 2.452 20 5 CEBDLO CCc1nnc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)s1 ZINC000353075729 370008815 /nfs/dbraw/zinc/00/88/15/370008815.db2.gz ZAQXTZMKSNPPLD-UHFFFAOYSA-N 1 2 296.327 2.438 20 5 CEBDLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000353111544 370022497 /nfs/dbraw/zinc/02/24/97/370022497.db2.gz ZOEQGHSYTQOGHM-UHFFFAOYSA-N 1 2 294.698 2.210 20 5 CEBDLO Nc1[nH+]cnc(NCc2cccc([N+](=O)[O-])c2)c1Cl ZINC000236392982 370586859 /nfs/dbraw/zinc/58/68/59/370586859.db2.gz GZQKAUNAWMEJOE-UHFFFAOYSA-N 1 2 279.687 2.233 20 5 CEBDLO Nc1nc[nH+]c(NCc2cccc([N+](=O)[O-])c2)c1Cl ZINC000236392982 370586865 /nfs/dbraw/zinc/58/68/65/370586865.db2.gz GZQKAUNAWMEJOE-UHFFFAOYSA-N 1 2 279.687 2.233 20 5 CEBDLO Cc1[nH+]c[nH]c1CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000358600476 371133674 /nfs/dbraw/zinc/13/36/74/371133674.db2.gz SIRXHTLPOFWSOF-UHFFFAOYSA-N 1 2 299.290 2.038 20 5 CEBDLO CNc1ccc(Nc2nc(C)cc(C)c2[N+](=O)[O-])c[nH+]1 ZINC000359095475 371335447 /nfs/dbraw/zinc/33/54/47/371335447.db2.gz MNHJJAIMUWMJHF-UHFFFAOYSA-N 1 2 273.296 2.209 20 5 CEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000361383484 371820937 /nfs/dbraw/zinc/82/09/37/371820937.db2.gz CFOQAYNNEVINSG-LBPRGKRZSA-N 1 2 272.308 2.275 20 5 CEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@H]1c1ccccc1 ZINC000361383484 371820943 /nfs/dbraw/zinc/82/09/43/371820943.db2.gz CFOQAYNNEVINSG-LBPRGKRZSA-N 1 2 272.308 2.275 20 5 CEBDLO Cc1nc(N(C)CCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000268959110 372301873 /nfs/dbraw/zinc/30/18/73/372301873.db2.gz KSQSVEDMFOFVBF-UHFFFAOYSA-N 1 2 275.312 2.021 20 5 CEBDLO Cn1ccnc1[C@@H]([NH2+]C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000353456740 220092304 /nfs/dbraw/zinc/09/23/04/220092304.db2.gz WTYVXDWBFACMQI-ZDUSSCGKSA-N 1 2 272.308 2.170 20 5 CEBDLO O=[N+]([O-])c1cccnc1N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000372316259 374096362 /nfs/dbraw/zinc/09/63/62/374096362.db2.gz LMVZYQZMIMACLP-LBPRGKRZSA-N 1 2 299.334 2.466 20 5 CEBDLO Cc1ccc(C[N@@H+]2CC[S@@](=O)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000277386655 374499340 /nfs/dbraw/zinc/49/93/40/374499340.db2.gz GPFDVKAHHAWFQX-BIBXISHDSA-N 1 2 296.392 2.104 20 5 CEBDLO Cc1ccc(C[N@H+]2CC[S@@](=O)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000277386655 374499344 /nfs/dbraw/zinc/49/93/44/374499344.db2.gz GPFDVKAHHAWFQX-BIBXISHDSA-N 1 2 296.392 2.104 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000377217525 374816238 /nfs/dbraw/zinc/81/62/38/374816238.db2.gz ZORXPLDLZFVAGV-HNNXBMFYSA-N 1 2 292.335 2.214 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000377217525 374816245 /nfs/dbraw/zinc/81/62/45/374816245.db2.gz ZORXPLDLZFVAGV-HNNXBMFYSA-N 1 2 292.335 2.214 20 5 CEBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1csnn1 ZINC000283028673 375640457 /nfs/dbraw/zinc/64/04/57/375640457.db2.gz MUUIQGKQXLJRBL-UHFFFAOYSA-N 1 2 278.337 2.121 20 5 CEBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1csnn1 ZINC000283028673 375640465 /nfs/dbraw/zinc/64/04/65/375640465.db2.gz MUUIQGKQXLJRBL-UHFFFAOYSA-N 1 2 278.337 2.121 20 5 CEBDLO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)CC(C)(C)O ZINC000286566377 375996402 /nfs/dbraw/zinc/99/64/02/375996402.db2.gz VRLAWDRPHSUYNL-UHFFFAOYSA-N 1 2 274.267 2.076 20 5 CEBDLO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)CC(C)(C)O ZINC000286566377 375996404 /nfs/dbraw/zinc/99/64/04/375996404.db2.gz VRLAWDRPHSUYNL-UHFFFAOYSA-N 1 2 274.267 2.076 20 5 CEBDLO CO[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000332216702 377543469 /nfs/dbraw/zinc/54/34/69/377543469.db2.gz HVHDMYWRYZMVQA-LLVKDONJSA-N 1 2 290.323 2.082 20 5 CEBDLO CO[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000332216702 377543472 /nfs/dbraw/zinc/54/34/72/377543472.db2.gz HVHDMYWRYZMVQA-LLVKDONJSA-N 1 2 290.323 2.082 20 5 CEBDLO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccon1 ZINC000265754190 190204554 /nfs/dbraw/zinc/20/45/54/190204554.db2.gz FZWRWBSOZZCWHM-UHFFFAOYSA-N 1 2 277.280 2.094 20 5 CEBDLO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccon1 ZINC000265754190 190204555 /nfs/dbraw/zinc/20/45/55/190204555.db2.gz FZWRWBSOZZCWHM-UHFFFAOYSA-N 1 2 277.280 2.094 20 5 CEBDLO Cn1c[nH+]c(CCNc2ncc([N+](=O)[O-])cc2Cl)c1 ZINC000313486626 249395760 /nfs/dbraw/zinc/39/57/60/249395760.db2.gz XOAKXPQFBISFEZ-UHFFFAOYSA-N 1 2 281.703 2.031 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1NCCc1cn(C)c[nH+]1 ZINC000313488328 249396877 /nfs/dbraw/zinc/39/68/77/249396877.db2.gz TWEDWOLYZBYHAQ-UHFFFAOYSA-N 1 2 260.297 2.291 20 5 CEBDLO O=[N+]([O-])c1cc(Cl)ccc1CN1CCn2cc[nH+]c2C1 ZINC000332580128 377638664 /nfs/dbraw/zinc/63/86/64/377638664.db2.gz AAKZRDYLIBDVQC-UHFFFAOYSA-N 1 2 292.726 2.461 20 5 CEBDLO Nc1ccc(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)c[nH+]1 ZINC000566149688 377736364 /nfs/dbraw/zinc/73/63/64/377736364.db2.gz QAMVMKXCCXGVOR-UHFFFAOYSA-N 1 2 299.334 2.288 20 5 CEBDLO Cc1nc(NC(=O)C[C@H](C)n2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000566304718 377753965 /nfs/dbraw/zinc/75/39/65/377753965.db2.gz LRCIFBOVZURYIA-VIFPVBQESA-N 1 2 289.295 2.085 20 5 CEBDLO CO[C@@H]1CCC[C@H]1C[NH+]=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000447692608 378130834 /nfs/dbraw/zinc/13/08/34/378130834.db2.gz GPVAQLBDRBDROS-TVQRCGJNSA-N 1 2 290.323 2.120 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@H+](C2CC2)C2COC2)cc1F ZINC000295455664 378165366 /nfs/dbraw/zinc/16/53/66/378165366.db2.gz PSYHYMZKSNZWGJ-UHFFFAOYSA-N 1 2 266.272 2.097 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@@H+](C2CC2)C2COC2)cc1F ZINC000295455664 378165372 /nfs/dbraw/zinc/16/53/72/378165372.db2.gz PSYHYMZKSNZWGJ-UHFFFAOYSA-N 1 2 266.272 2.097 20 5 CEBDLO Cc1ccc(NC(=O)CCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000346731532 218001070 /nfs/dbraw/zinc/00/10/70/218001070.db2.gz KTEIEOTVCNBSKL-UHFFFAOYSA-N 1 2 274.280 2.129 20 5 CEBDLO C[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000298729390 378815414 /nfs/dbraw/zinc/81/54/14/378815414.db2.gz SBSYNUWAZMQRGP-RYUDHWBXSA-N 1 2 280.324 2.083 20 5 CEBDLO C[C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000298729390 378815417 /nfs/dbraw/zinc/81/54/17/378815417.db2.gz SBSYNUWAZMQRGP-RYUDHWBXSA-N 1 2 280.324 2.083 20 5 CEBDLO C[N@H+](Cc1cccnc1N)Cc1ccccc1[N+](=O)[O-] ZINC000347703918 218327692 /nfs/dbraw/zinc/32/76/92/218327692.db2.gz IBOOJSNJLFCJID-UHFFFAOYSA-N 1 2 272.308 2.204 20 5 CEBDLO C[N@@H+](Cc1cccnc1N)Cc1ccccc1[N+](=O)[O-] ZINC000347703918 218327694 /nfs/dbraw/zinc/32/76/94/218327694.db2.gz IBOOJSNJLFCJID-UHFFFAOYSA-N 1 2 272.308 2.204 20 5 CEBDLO C[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)c1ccccc1[N+](=O)[O-] ZINC000492863663 380713643 /nfs/dbraw/zinc/71/36/43/380713643.db2.gz MMBXZZXETREASL-JYESYGNLSA-N 1 2 286.291 2.209 20 5 CEBDLO CCC1(O)CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413254383 394513580 /nfs/dbraw/zinc/51/35/80/394513580.db2.gz YFBSVCRBRALJET-UHFFFAOYSA-N 1 2 273.292 2.104 20 5 CEBDLO Cc1cnc(NCCCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000090692260 394655750 /nfs/dbraw/zinc/65/57/50/394655750.db2.gz JWQUWLRRJOOFNE-UHFFFAOYSA-N 1 2 275.312 2.387 20 5 CEBDLO Cc1nn(C)cc1C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000093443649 394666060 /nfs/dbraw/zinc/66/60/60/394666060.db2.gz SGXFFCNVQKZFGN-UHFFFAOYSA-N 1 2 286.335 2.195 20 5 CEBDLO Cc1nn(C)cc1C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000093443649 394666063 /nfs/dbraw/zinc/66/60/63/394666063.db2.gz SGXFFCNVQKZFGN-UHFFFAOYSA-N 1 2 286.335 2.195 20 5 CEBDLO CC(C)OC(=O)[C@H](C)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000129800682 394874170 /nfs/dbraw/zinc/87/41/70/394874170.db2.gz OJDVBVYZPCUSSE-LBPRGKRZSA-N 1 2 294.351 2.409 20 5 CEBDLO CC(C)OC(=O)[C@H](C)[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000129800682 394874177 /nfs/dbraw/zinc/87/41/77/394874177.db2.gz OJDVBVYZPCUSSE-LBPRGKRZSA-N 1 2 294.351 2.409 20 5 CEBDLO C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000189168190 395325382 /nfs/dbraw/zinc/32/53/82/395325382.db2.gz AIPMFOUPXVDPKI-SNVBAGLBSA-N 1 2 288.307 2.128 20 5 CEBDLO C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000189168190 395325391 /nfs/dbraw/zinc/32/53/91/395325391.db2.gz AIPMFOUPXVDPKI-SNVBAGLBSA-N 1 2 288.307 2.128 20 5 CEBDLO CCN(C)C(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000441264066 395383567 /nfs/dbraw/zinc/38/35/67/395383567.db2.gz FEBVNKVSSTXTIR-UHFFFAOYSA-N 1 2 291.351 2.038 20 5 CEBDLO CCN(C)C(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000441264066 395383571 /nfs/dbraw/zinc/38/35/71/395383571.db2.gz FEBVNKVSSTXTIR-UHFFFAOYSA-N 1 2 291.351 2.038 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCc1c[nH+]c[nH]1 ZINC000194969519 395455441 /nfs/dbraw/zinc/45/54/41/395455441.db2.gz GZWQKRQJKVNEME-UHFFFAOYSA-N 1 2 274.280 2.198 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCc1c[nH]c[nH+]1 ZINC000194969519 395455444 /nfs/dbraw/zinc/45/54/44/395455444.db2.gz GZWQKRQJKVNEME-UHFFFAOYSA-N 1 2 274.280 2.198 20 5 CEBDLO Cc1c[nH+]c(C)nc1NCc1cccc([N+](=O)[O-])c1C ZINC000567915530 395542430 /nfs/dbraw/zinc/54/24/30/395542430.db2.gz VRUQTTYVSRRIBE-UHFFFAOYSA-N 1 2 272.308 2.344 20 5 CEBDLO C[C@H](O)C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC(F)F ZINC000451856430 395625370 /nfs/dbraw/zinc/62/53/70/395625370.db2.gz UKAPDNOMPHLISL-JTQLQIEISA-N 1 2 288.294 2.085 20 5 CEBDLO C[C@H](O)C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC(F)F ZINC000451856430 395625372 /nfs/dbraw/zinc/62/53/72/395625372.db2.gz UKAPDNOMPHLISL-JTQLQIEISA-N 1 2 288.294 2.085 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@H](C3CC3)C2)cc1F ZINC000366969659 156109717 /nfs/dbraw/zinc/10/97/17/156109717.db2.gz MLQAUCLGXJDBII-AWEZNQCLSA-N 1 2 280.299 2.345 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@H](C3CC3)C2)cc1F ZINC000366969659 156109718 /nfs/dbraw/zinc/10/97/18/156109718.db2.gz MLQAUCLGXJDBII-AWEZNQCLSA-N 1 2 280.299 2.345 20 5 CEBDLO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)CC1(CO)CC1 ZINC000285154937 196209492 /nfs/dbraw/zinc/20/94/92/196209492.db2.gz BPLRYAHUOAMHKC-UHFFFAOYSA-N 1 2 286.278 2.077 20 5 CEBDLO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)CC1(CO)CC1 ZINC000285154937 196209494 /nfs/dbraw/zinc/20/94/94/196209494.db2.gz BPLRYAHUOAMHKC-UHFFFAOYSA-N 1 2 286.278 2.077 20 5 CEBDLO C[C@@H]1CCN(c2ccncc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000361059295 287605272 /nfs/dbraw/zinc/60/52/72/287605272.db2.gz SFSHCMVIUOXVDF-BXUZGUMPSA-N 1 2 287.323 2.274 20 5 CEBDLO C[C@H]([NH2+]Cc1cc(C(N)=O)co1)c1ccc([N+](=O)[O-])cc1 ZINC000187577723 270254915 /nfs/dbraw/zinc/25/49/15/270254915.db2.gz HSECPEXLEJAABO-VIFPVBQESA-N 1 2 289.291 2.138 20 5 CEBDLO Cc1cc(C)c([N+](=O)[O-])c(N(C)Cc2ccc(N)[nH+]c2)n1 ZINC000445607851 281677141 /nfs/dbraw/zinc/67/71/41/281677141.db2.gz NHKXYNIBWXFBAG-UHFFFAOYSA-N 1 2 287.323 2.051 20 5 CEBDLO [NH3+][C@H]1CCCC[C@H]1CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000566193631 298954734 /nfs/dbraw/zinc/95/47/34/298954734.db2.gz NRDTZEUBXWPWEK-ONGXEEELSA-N 1 2 293.323 2.147 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCO[C@@H]([C@@H](C)O)C1 ZINC000412077725 534348429 /nfs/dbraw/zinc/34/84/29/534348429.db2.gz JNWGFDLHUWQHRS-YWPYICTPSA-N 1 2 294.351 2.046 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCO[C@@H]([C@@H](C)O)C1 ZINC000412077725 534348433 /nfs/dbraw/zinc/34/84/33/534348433.db2.gz JNWGFDLHUWQHRS-YWPYICTPSA-N 1 2 294.351 2.046 20 5 CEBDLO Cc1nnc([C@H]2CC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)[nH]1 ZINC000412025606 534613085 /nfs/dbraw/zinc/61/30/85/534613085.db2.gz HNGCQJDZKBLGMU-JTQLQIEISA-N 1 2 293.352 2.072 20 5 CEBDLO Cc1nnc([C@H]2CC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)[nH]1 ZINC000412025606 534613093 /nfs/dbraw/zinc/61/30/93/534613093.db2.gz HNGCQJDZKBLGMU-JTQLQIEISA-N 1 2 293.352 2.072 20 5 CEBDLO Cc1n[nH]c([C@H]2CC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)n1 ZINC000412025606 534613096 /nfs/dbraw/zinc/61/30/96/534613096.db2.gz HNGCQJDZKBLGMU-JTQLQIEISA-N 1 2 293.352 2.072 20 5 CEBDLO Cc1n[nH]c([C@H]2CC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)n1 ZINC000412025606 534613101 /nfs/dbraw/zinc/61/31/01/534613101.db2.gz HNGCQJDZKBLGMU-JTQLQIEISA-N 1 2 293.352 2.072 20 5 CEBDLO Cc1nc([C@H]2CC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000412025606 534613105 /nfs/dbraw/zinc/61/31/05/534613105.db2.gz HNGCQJDZKBLGMU-JTQLQIEISA-N 1 2 293.352 2.072 20 5 CEBDLO Cc1nc([C@H]2CC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000412025606 534613108 /nfs/dbraw/zinc/61/31/08/534613108.db2.gz HNGCQJDZKBLGMU-JTQLQIEISA-N 1 2 293.352 2.072 20 5 CEBDLO O=[N+]([O-])c1cccc2c1CCN2CCCn1cc[nH+]c1 ZINC000183625533 527396285 /nfs/dbraw/zinc/39/62/85/527396285.db2.gz QWFOSGMSDNZETA-UHFFFAOYSA-N 1 2 272.308 2.244 20 5 CEBDLO CC[C@H]1C[N@H+](CCNc2c(C)cccc2[N+](=O)[O-])CCO1 ZINC000357695414 529294399 /nfs/dbraw/zinc/29/43/99/529294399.db2.gz YHYTXLPTWPVCLD-ZDUSSCGKSA-N 1 2 293.367 2.426 20 5 CEBDLO CC[C@H]1C[N@@H+](CCNc2c(C)cccc2[N+](=O)[O-])CCO1 ZINC000357695414 529294400 /nfs/dbraw/zinc/29/44/00/529294400.db2.gz YHYTXLPTWPVCLD-ZDUSSCGKSA-N 1 2 293.367 2.426 20 5 CEBDLO Cc1nn(C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000743377170 575051925 /nfs/dbraw/zinc/05/19/25/575051925.db2.gz XYOQMDAKHJUTBA-DTORHVGOSA-N 1 2 284.385 2.191 20 5 CEBDLO Cc1nn(C[N@H+]2C[C@@H](C)S[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000743377170 575051928 /nfs/dbraw/zinc/05/19/28/575051928.db2.gz XYOQMDAKHJUTBA-DTORHVGOSA-N 1 2 284.385 2.191 20 5 CEBDLO O=[N+]([O-])c1cc(C[NH+]2CCC(c3nc[nH]n3)CC2)cs1 ZINC000751500798 575290512 /nfs/dbraw/zinc/29/05/12/575290512.db2.gz LNPUHPXLTSTCRD-UHFFFAOYSA-N 1 2 293.352 2.154 20 5 CEBDLO CC(C)OC(=O)C(C)(C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000934818295 624813202 /nfs/dbraw/zinc/81/32/02/624813202.db2.gz ZIPCFIBFFFBQPS-UHFFFAOYSA-N 1 2 294.351 2.457 20 5 CEBDLO CNc1cc(N(C)CCc2cccc([N+](=O)[O-])c2)nc[nH+]1 ZINC000893717168 628980283 /nfs/dbraw/zinc/98/02/83/628980283.db2.gz OFNNLYLDFUMJBD-UHFFFAOYSA-N 1 2 287.323 2.105 20 5 CEBDLO CNc1cc(N(C)CCc2cccc([N+](=O)[O-])c2)[nH+]cn1 ZINC000893717168 628980284 /nfs/dbraw/zinc/98/02/84/628980284.db2.gz OFNNLYLDFUMJBD-UHFFFAOYSA-N 1 2 287.323 2.105 20 5 CEBDLO CCNc1cc(CNc2c([N+](=O)[O-])c(C)nn2C)cc[nH+]1 ZINC000894872051 629708549 /nfs/dbraw/zinc/70/85/49/629708549.db2.gz WZQCOTCXIVCODX-UHFFFAOYSA-N 1 2 290.327 2.076 20 5 CEBDLO Cc1nn(C[N@@H+]2CCC=C(C)C2)c(C)c1[N+](=O)[O-] ZINC000797823190 630762050 /nfs/dbraw/zinc/76/20/50/630762050.db2.gz NJRMGBGMGAGOGJ-UHFFFAOYSA-N 1 2 250.302 2.018 20 5 CEBDLO Cc1nn(C[N@H+]2CCC=C(C)C2)c(C)c1[N+](=O)[O-] ZINC000797823190 630762054 /nfs/dbraw/zinc/76/20/54/630762054.db2.gz NJRMGBGMGAGOGJ-UHFFFAOYSA-N 1 2 250.302 2.018 20 5 CEBDLO C[C@@H](CC(=O)OCc1ccc([N+](=O)[O-])cc1)n1cc[nH+]c1 ZINC000844288812 640660188 /nfs/dbraw/zinc/66/01/88/640660188.db2.gz VMDQYDBRKWPZDV-NSHDSACASA-N 1 2 289.291 2.486 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1ccn(C)n1 ZINC000850448792 642716835 /nfs/dbraw/zinc/71/68/35/642716835.db2.gz PZXBMAHVUZHKCH-JTQLQIEISA-N 1 2 290.323 2.188 20 5 CEBDLO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccn(C)n1 ZINC000839194437 644186556 /nfs/dbraw/zinc/18/65/56/644186556.db2.gz PNBSGVBRRHHFPT-VIFPVBQESA-N 1 2 278.287 2.318 20 5 CEBDLO CC(C)C1(O)C[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000773894294 646785628 /nfs/dbraw/zinc/78/56/28/646785628.db2.gz IYRTWADCVIPRDN-LLVKDONJSA-N 1 2 264.325 2.359 20 5 CEBDLO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCOCC2(CC2)C1 ZINC000782538764 647635281 /nfs/dbraw/zinc/63/52/81/647635281.db2.gz HQNUDYULKHKKBX-UHFFFAOYSA-N 1 2 280.299 2.346 20 5 CEBDLO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCOCC2(CC2)C1 ZINC000782538764 647635284 /nfs/dbraw/zinc/63/52/84/647635284.db2.gz HQNUDYULKHKKBX-UHFFFAOYSA-N 1 2 280.299 2.346 20 5 CEBDLO Nc1cc(COC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC000787579169 648119925 /nfs/dbraw/zinc/11/99/25/648119925.db2.gz QXCKZCXWAWKHHD-UTCJRWHESA-N 1 2 299.286 2.329 20 5 CEBDLO C[C@H]1C[C@H](C)[NH+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000793227575 648726889 /nfs/dbraw/zinc/72/68/89/648726889.db2.gz DSKWSOGYIGITFU-IUCAKERBSA-N 1 2 265.269 2.486 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1ccon1 ZINC000873068849 649550424 /nfs/dbraw/zinc/55/04/24/649550424.db2.gz BRHSAAKRTHUPHG-UHFFFAOYSA-N 1 2 261.281 2.489 20 5 CEBDLO C[N@H+](CC[N+](=O)[O-])Cc1ccc(Br)c(F)c1 ZINC001119851560 815164312 /nfs/dbraw/zinc/16/43/12/815164312.db2.gz MJVPFFPEIXTLTD-UHFFFAOYSA-N 1 2 291.120 2.297 20 5 CEBDLO C[N@@H+](CC[N+](=O)[O-])Cc1ccc(Br)c(F)c1 ZINC001119851560 815164316 /nfs/dbraw/zinc/16/43/16/815164316.db2.gz MJVPFFPEIXTLTD-UHFFFAOYSA-N 1 2 291.120 2.297 20 5 CEBDLO CCN(c1nc(Cl)cc(C)c1[N+](=O)[O-])C1C[NH+](C)C1 ZINC001157455470 812158727 /nfs/dbraw/zinc/15/87/27/812158727.db2.gz LHFLMPMNGCVTNP-UHFFFAOYSA-N 1 2 284.747 2.092 20 5 CEBDLO CCC[C@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC001173220280 815626411 /nfs/dbraw/zinc/62/64/11/815626411.db2.gz XGUOMVZOJNSWOM-RISCZKNCSA-N 1 2 294.351 2.457 20 5 CEBDLO O=[N+]([O-])c1cc(C[NH2+]Cc2nccs2)cs1 ZINC000041012891 362012600 /nfs/dbraw/zinc/01/26/00/362012600.db2.gz ATVAPQAXXUPPNW-UHFFFAOYSA-N 1 2 255.324 2.403 20 5 CEBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](O)C2)ccc1Cl ZINC000042468123 362097717 /nfs/dbraw/zinc/09/77/17/362097717.db2.gz IHCGNXDZNPYWAZ-JTQLQIEISA-N 1 2 270.716 2.205 20 5 CEBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](O)C2)ccc1Cl ZINC000042468123 362097723 /nfs/dbraw/zinc/09/77/23/362097723.db2.gz IHCGNXDZNPYWAZ-JTQLQIEISA-N 1 2 270.716 2.205 20 5 CEBDLO CN(C)c1[nH+]cccc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000047976201 362235140 /nfs/dbraw/zinc/23/51/40/362235140.db2.gz UXVBADHGDYVRHR-UHFFFAOYSA-N 1 2 286.291 2.308 20 5 CEBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000045784222 343488287 /nfs/dbraw/zinc/48/82/87/343488287.db2.gz FWEFSZRNSQVMRV-MNOVXSKESA-N 1 2 250.298 2.204 20 5 CEBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000045784222 343488288 /nfs/dbraw/zinc/48/82/88/343488288.db2.gz FWEFSZRNSQVMRV-MNOVXSKESA-N 1 2 250.298 2.204 20 5 CEBDLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000602047783 346966387 /nfs/dbraw/zinc/96/63/87/346966387.db2.gz XIMFVRYRBLTLMZ-VXGBXAGGSA-N 1 2 298.302 2.011 20 5 CEBDLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000602047783 346966389 /nfs/dbraw/zinc/96/63/89/346966389.db2.gz XIMFVRYRBLTLMZ-VXGBXAGGSA-N 1 2 298.302 2.011 20 5 CEBDLO Cc1cc([NH+](C)C)ccc1Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000076268200 343886730 /nfs/dbraw/zinc/88/67/30/343886730.db2.gz OBHWSYBJYYQFOG-UHFFFAOYSA-N 1 2 288.311 2.085 20 5 CEBDLO CN(CC[NH+]1CCOCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000077962973 343937068 /nfs/dbraw/zinc/93/70/68/343937068.db2.gz INSBCJLXSWHKEZ-UHFFFAOYSA-N 1 2 299.758 2.017 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ncc[nH]1 ZINC000285891043 344678894 /nfs/dbraw/zinc/67/88/94/344678894.db2.gz CGTNAXYNRQIJNH-SECBINFHSA-N 1 2 276.296 2.177 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1[nH]cc[nH+]1 ZINC000285891043 344678897 /nfs/dbraw/zinc/67/88/97/344678897.db2.gz CGTNAXYNRQIJNH-SECBINFHSA-N 1 2 276.296 2.177 20 5 CEBDLO CCn1cc[nH+]c1[C@H](C)Nc1cccnc1[N+](=O)[O-] ZINC000590723753 345168277 /nfs/dbraw/zinc/16/82/77/345168277.db2.gz BRGPSIXXJOKIJA-VIFPVBQESA-N 1 2 261.285 2.379 20 5 CEBDLO Cc1c[nH]c(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000594925604 345704301 /nfs/dbraw/zinc/70/43/01/345704301.db2.gz OXDNDMVLEWPEQL-JTQLQIEISA-N 1 2 260.297 2.477 20 5 CEBDLO Cc1noc(C)c1[C@H](C)[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000595419125 345777718 /nfs/dbraw/zinc/77/77/18/345777718.db2.gz UQUTVBNHPUBVAW-LURJTMIESA-N 1 2 280.284 2.347 20 5 CEBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000595763520 345870433 /nfs/dbraw/zinc/87/04/33/345870433.db2.gz GGIOIZCXYDKXPQ-GXFFZTMASA-N 1 2 282.727 2.205 20 5 CEBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000595763520 345870438 /nfs/dbraw/zinc/87/04/38/345870438.db2.gz GGIOIZCXYDKXPQ-GXFFZTMASA-N 1 2 282.727 2.205 20 5 CEBDLO C[C@H](O)[C@@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599065462 346454205 /nfs/dbraw/zinc/45/42/05/346454205.db2.gz LSUGKLRNMNLEMO-CMPLNLGQSA-N 1 2 287.319 2.350 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@H](CCF)C2)cc1 ZINC000599642584 346551838 /nfs/dbraw/zinc/55/18/38/346551838.db2.gz NBZNCQZAOUYNDZ-CYBMUJFWSA-N 1 2 268.288 2.155 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@H](CCF)C2)cc1 ZINC000599642584 346551839 /nfs/dbraw/zinc/55/18/39/346551839.db2.gz NBZNCQZAOUYNDZ-CYBMUJFWSA-N 1 2 268.288 2.155 20 5 CEBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCO[C@H](CCF)C1 ZINC000599642722 346552540 /nfs/dbraw/zinc/55/25/40/346552540.db2.gz KYQBVWBNXHBHLX-GFCCVEGCSA-N 1 2 268.288 2.155 20 5 CEBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCO[C@H](CCF)C1 ZINC000599642722 346552542 /nfs/dbraw/zinc/55/25/42/346552542.db2.gz KYQBVWBNXHBHLX-GFCCVEGCSA-N 1 2 268.288 2.155 20 5 CEBDLO C[C@@H]1COCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000351756229 219198178 /nfs/dbraw/zinc/19/81/78/219198178.db2.gz KJAATKLPNMLWCO-VIFPVBQESA-N 1 2 286.278 2.341 20 5 CEBDLO C[C@@H]1COCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000351756229 219198180 /nfs/dbraw/zinc/19/81/80/219198180.db2.gz KJAATKLPNMLWCO-VIFPVBQESA-N 1 2 286.278 2.341 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1Cn1cc[nH+]c1C1CC1 ZINC000600611656 346661891 /nfs/dbraw/zinc/66/18/91/346661891.db2.gz SSKOCIUPMLYXHZ-UHFFFAOYSA-N 1 2 259.265 2.423 20 5 CEBDLO C[C@@](CO)([NH2+]Cc1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000601149881 346770023 /nfs/dbraw/zinc/77/00/23/346770023.db2.gz RGBLLNMBVFQGIB-ZDUSSCGKSA-N 1 2 293.348 2.049 20 5 CEBDLO COc1ccncc1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000336830419 365894070 /nfs/dbraw/zinc/89/40/70/365894070.db2.gz BXBHTKIURILOKS-UHFFFAOYSA-N 1 2 273.292 2.288 20 5 CEBDLO COc1ccc(C[NH+]2CC(C(F)F)C2)cc1[N+](=O)[O-] ZINC000611072275 347736237 /nfs/dbraw/zinc/73/62/37/347736237.db2.gz QYTQBTXBRMVPMR-UHFFFAOYSA-N 1 2 272.251 2.300 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCOCC3(CC3)C2)c(F)c1 ZINC000611813268 347818836 /nfs/dbraw/zinc/81/88/36/347818836.db2.gz RMSORNBFDYZPPX-UHFFFAOYSA-N 1 2 280.299 2.346 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCOCC3(CC3)C2)c(F)c1 ZINC000611813268 347818837 /nfs/dbraw/zinc/81/88/37/347818837.db2.gz RMSORNBFDYZPPX-UHFFFAOYSA-N 1 2 280.299 2.346 20 5 CEBDLO Cc1[nH]ncc1[C@@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000611520892 347790248 /nfs/dbraw/zinc/79/02/48/347790248.db2.gz UKXVCZNRYUIWPN-SNVBAGLBSA-N 1 2 290.323 2.356 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@@H](C)[C@H]1C ZINC000339573732 215250329 /nfs/dbraw/zinc/25/03/29/215250329.db2.gz OQVSZNWBSCHBOW-GHMZBOCLSA-N 1 2 277.324 2.182 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@@H](C)[C@H]1C ZINC000339573732 215250332 /nfs/dbraw/zinc/25/03/32/215250332.db2.gz OQVSZNWBSCHBOW-GHMZBOCLSA-N 1 2 277.324 2.182 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000619784325 349236252 /nfs/dbraw/zinc/23/62/52/349236252.db2.gz TYWYLADUOHIGOW-FPMFFAJLSA-N 1 2 292.335 2.064 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000619784325 349236254 /nfs/dbraw/zinc/23/62/54/349236254.db2.gz TYWYLADUOHIGOW-FPMFFAJLSA-N 1 2 292.335 2.064 20 5 CEBDLO COc1cc[nH+]cc1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000131477832 187568202 /nfs/dbraw/zinc/56/82/02/187568202.db2.gz FOSJFDDZEFSUGC-UHFFFAOYSA-N 1 2 291.238 2.390 20 5 CEBDLO CCn1cc[nH+]c1CNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000452577871 283324187 /nfs/dbraw/zinc/32/41/87/283324187.db2.gz YOHVIZZYPXZIKF-UHFFFAOYSA-N 1 2 288.307 2.050 20 5 CEBDLO COc1ccc(C[NH2+][C@H](C)c2nccn2C)cc1[N+](=O)[O-] ZINC000341763286 216094156 /nfs/dbraw/zinc/09/41/56/216094156.db2.gz WVPHRCXGGTVVFU-SNVBAGLBSA-N 1 2 290.323 2.188 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000339050186 366630370 /nfs/dbraw/zinc/63/03/70/366630370.db2.gz FVTBMLXENPDABB-NWDGAFQWSA-N 1 2 292.335 2.159 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000339050186 366630372 /nfs/dbraw/zinc/63/03/72/366630372.db2.gz FVTBMLXENPDABB-NWDGAFQWSA-N 1 2 292.335 2.159 20 5 CEBDLO CN(CCCn1cc[nH+]c1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000178087276 189089891 /nfs/dbraw/zinc/08/98/91/189089891.db2.gz FAAQABOSTKZSSE-UHFFFAOYSA-N 1 2 294.336 2.015 20 5 CEBDLO Cc1cc(N)nc(SCc2csc([N+](=O)[O-])c2)[nH+]1 ZINC000339971438 366733842 /nfs/dbraw/zinc/73/38/42/366733842.db2.gz WDCMFRJRKWGWOO-UHFFFAOYSA-N 1 2 282.350 2.460 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC3(CCC3)C2)cc1 ZINC000154132642 366759568 /nfs/dbraw/zinc/75/95/68/366759568.db2.gz WZXAHLJISJZPED-UHFFFAOYSA-N 1 2 262.309 2.350 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCOC3(CCC3)C2)cc1 ZINC000154132642 366759573 /nfs/dbraw/zinc/75/95/73/366759573.db2.gz WZXAHLJISJZPED-UHFFFAOYSA-N 1 2 262.309 2.350 20 5 CEBDLO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1nncn1C ZINC000037017120 299346049 /nfs/dbraw/zinc/34/60/49/299346049.db2.gz WHRMNNMLCDIVNK-UWVGGRQHSA-N 1 2 275.312 2.135 20 5 CEBDLO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ncn(C)n2)cc1[N+](=O)[O-] ZINC000275726818 193114944 /nfs/dbraw/zinc/11/49/44/193114944.db2.gz ONHKJPFRWVQVLY-MNOVXSKESA-N 1 2 289.339 2.444 20 5 CEBDLO C[C@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1O)n1cc[nH+]c1 ZINC000582379073 366903628 /nfs/dbraw/zinc/90/36/28/366903628.db2.gz CJSXFULPULNYAZ-SECBINFHSA-N 1 2 290.279 2.087 20 5 CEBDLO O=[N+]([O-])c1cnccc1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000340902925 367082108 /nfs/dbraw/zinc/08/21/08/367082108.db2.gz KKDJQUKGBXKEDH-GFCCVEGCSA-N 1 2 286.291 2.043 20 5 CEBDLO Cc1ccc(Cn2c(C)ccc([N+](=O)[O-])c2=O)c(C)[nH+]1 ZINC000349213165 369267001 /nfs/dbraw/zinc/26/70/01/369267001.db2.gz CGLFRFWGLMHSIT-UHFFFAOYSA-N 1 2 273.292 2.125 20 5 CEBDLO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CCC[C@@H]1O ZINC000352674832 369831349 /nfs/dbraw/zinc/83/13/49/369831349.db2.gz QOVZQRNBSHCKSJ-OLZOCXBDSA-N 1 2 286.278 2.218 20 5 CEBDLO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CCC[C@@H]1O ZINC000352674832 369831351 /nfs/dbraw/zinc/83/13/51/369831351.db2.gz QOVZQRNBSHCKSJ-OLZOCXBDSA-N 1 2 286.278 2.218 20 5 CEBDLO Cc1c(NC(=O)CCc2c[nH+]cn2C)cccc1[N+](=O)[O-] ZINC000194985709 370093205 /nfs/dbraw/zinc/09/32/05/370093205.db2.gz KHAAKUUAPYGHPX-UHFFFAOYSA-N 1 2 288.307 2.208 20 5 CEBDLO COC[C@H]1C[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000247071375 371059827 /nfs/dbraw/zinc/05/98/27/371059827.db2.gz WOLAZEPYNQPPRL-SMDDNHRTSA-N 1 2 280.324 2.003 20 5 CEBDLO COC[C@H]1C[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000247071375 371059833 /nfs/dbraw/zinc/05/98/33/371059833.db2.gz WOLAZEPYNQPPRL-SMDDNHRTSA-N 1 2 280.324 2.003 20 5 CEBDLO CCC(CC)(C[NH3+])C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000232879481 189818664 /nfs/dbraw/zinc/81/86/64/189818664.db2.gz XSAAMNKSADGJAT-UHFFFAOYSA-N 1 2 281.312 2.004 20 5 CEBDLO CC[C@H]1C[N@H+](CCNc2ccccc2[N+](=O)[O-])CCO1 ZINC000362665271 372479036 /nfs/dbraw/zinc/47/90/36/372479036.db2.gz OFUGVGUZGCXMBP-LBPRGKRZSA-N 1 2 279.340 2.118 20 5 CEBDLO CC[C@H]1C[N@@H+](CCNc2ccccc2[N+](=O)[O-])CCO1 ZINC000362665271 372479044 /nfs/dbraw/zinc/47/90/44/372479044.db2.gz OFUGVGUZGCXMBP-LBPRGKRZSA-N 1 2 279.340 2.118 20 5 CEBDLO Cc1cnc(N[C@@H]2CCN(c3cccc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000269861881 372581050 /nfs/dbraw/zinc/58/10/50/372581050.db2.gz JHJIOZCFTMTMHU-GFCCVEGCSA-N 1 2 299.334 2.384 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCOC2(CCC2)C1 ZINC000373758551 374415317 /nfs/dbraw/zinc/41/53/17/374415317.db2.gz FDPWZEZSDNJBMB-UHFFFAOYSA-N 1 2 292.335 2.358 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCOC2(CCC2)C1 ZINC000373758551 374415320 /nfs/dbraw/zinc/41/53/20/374415320.db2.gz FDPWZEZSDNJBMB-UHFFFAOYSA-N 1 2 292.335 2.358 20 5 CEBDLO Cc1sc(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000408071429 375401038 /nfs/dbraw/zinc/40/10/38/375401038.db2.gz PNBGDSGVOZMNLK-RKDXNWHRSA-N 1 2 297.380 2.129 20 5 CEBDLO Cc1sc(C(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000408071429 375401046 /nfs/dbraw/zinc/40/10/46/375401046.db2.gz PNBGDSGVOZMNLK-RKDXNWHRSA-N 1 2 297.380 2.129 20 5 CEBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1csnn1 ZINC000289565842 376405998 /nfs/dbraw/zinc/40/59/98/376405998.db2.gz SCCKRYLCMXHOFZ-UHFFFAOYSA-N 1 2 278.337 2.121 20 5 CEBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1csnn1 ZINC000289565842 376406002 /nfs/dbraw/zinc/40/60/02/376406002.db2.gz SCCKRYLCMXHOFZ-UHFFFAOYSA-N 1 2 278.337 2.121 20 5 CEBDLO Cc1c(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2F)cnn1C ZINC000562608228 376945015 /nfs/dbraw/zinc/94/50/15/376945015.db2.gz VCVDBGXTXHRODQ-UHFFFAOYSA-N 1 2 292.314 2.408 20 5 CEBDLO Cc1c(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2F)cnn1C ZINC000562608228 376945021 /nfs/dbraw/zinc/94/50/21/376945021.db2.gz VCVDBGXTXHRODQ-UHFFFAOYSA-N 1 2 292.314 2.408 20 5 CEBDLO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCn3ccnc32)cc1 ZINC000293838083 377783069 /nfs/dbraw/zinc/78/30/69/377783069.db2.gz BTMHKFZTIAUJTB-GFCCVEGCSA-N 1 2 258.281 2.026 20 5 CEBDLO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1-n1cc[nH+]c1 ZINC000447816546 378141211 /nfs/dbraw/zinc/14/12/11/378141211.db2.gz JQSKVUVSRYNKDJ-UHFFFAOYSA-N 1 2 281.655 2.221 20 5 CEBDLO CCn1cc[nH+]c1CNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000296758245 378639321 /nfs/dbraw/zinc/63/93/21/378639321.db2.gz BUBFVJRHXYQHPL-UHFFFAOYSA-N 1 2 288.307 2.050 20 5 CEBDLO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000450826171 378597097 /nfs/dbraw/zinc/59/70/97/378597097.db2.gz YXIDFDCXGNWTBB-WPRPVWTQSA-N 1 2 290.327 2.434 20 5 CEBDLO O=[N+]([O-])c1cnc(N2CC[C@H]([NH+]3CC=CC3)C2)c(Cl)c1 ZINC000266284583 190245824 /nfs/dbraw/zinc/24/58/24/190245824.db2.gz VEITXDCLTNCWCU-JTQLQIEISA-N 1 2 294.742 2.094 20 5 CEBDLO C[C@H](NC(=O)CCn1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000299628157 379079229 /nfs/dbraw/zinc/07/92/29/379079229.db2.gz GDMJEHACBGRITG-NSHDSACASA-N 1 2 288.307 2.059 20 5 CEBDLO O=[N+]([O-])c1ccc(F)cc1NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000302788875 379451342 /nfs/dbraw/zinc/45/13/42/379451342.db2.gz DFSUKNIDCCEMHJ-LBPRGKRZSA-N 1 2 295.314 2.009 20 5 CEBDLO O=[N+]([O-])c1ccc(F)cc1NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000302788875 379451352 /nfs/dbraw/zinc/45/13/52/379451352.db2.gz DFSUKNIDCCEMHJ-LBPRGKRZSA-N 1 2 295.314 2.009 20 5 CEBDLO Cc1cc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)on1 ZINC000536005086 380222164 /nfs/dbraw/zinc/22/21/64/380222164.db2.gz XKOVADXTVCIBFO-UHFFFAOYSA-N 1 2 273.292 2.450 20 5 CEBDLO Cc1cc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)on1 ZINC000536005086 380222166 /nfs/dbraw/zinc/22/21/66/380222166.db2.gz XKOVADXTVCIBFO-UHFFFAOYSA-N 1 2 273.292 2.450 20 5 CEBDLO Cc1nnc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)o1 ZINC000541686408 380277672 /nfs/dbraw/zinc/27/76/72/380277672.db2.gz DGPDFRPYMRRREC-MRVPVSSYSA-N 1 2 262.269 2.137 20 5 CEBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](OC(F)F)C2)cs1 ZINC000549080567 380589127 /nfs/dbraw/zinc/58/91/27/380589127.db2.gz YMGDKENZCFKIPT-QMMMGPOBSA-N 1 2 278.280 2.470 20 5 CEBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](OC(F)F)C2)cs1 ZINC000549080567 380589130 /nfs/dbraw/zinc/58/91/30/380589130.db2.gz YMGDKENZCFKIPT-QMMMGPOBSA-N 1 2 278.280 2.470 20 5 CEBDLO CCCCNC(=O)[C@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599450 394511360 /nfs/dbraw/zinc/51/13/60/394511360.db2.gz LPJOUBPPROKZQV-LBPRGKRZSA-N 1 2 293.367 2.331 20 5 CEBDLO CCCCNC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599450 394511363 /nfs/dbraw/zinc/51/13/63/394511363.db2.gz LPJOUBPPROKZQV-LBPRGKRZSA-N 1 2 293.367 2.331 20 5 CEBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCO[C@H](CF)C1 ZINC000414466347 394744147 /nfs/dbraw/zinc/74/41/47/394744147.db2.gz BHRRPJPJGXPENI-HSBHDXMMSA-N 1 2 280.299 2.278 20 5 CEBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCO[C@H](CF)C1 ZINC000414466347 394744151 /nfs/dbraw/zinc/74/41/51/394744151.db2.gz BHRRPJPJGXPENI-HSBHDXMMSA-N 1 2 280.299 2.278 20 5 CEBDLO C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000119012178 394762601 /nfs/dbraw/zinc/76/26/01/394762601.db2.gz YMJSOPKDZWQCML-SECBINFHSA-N 1 2 270.716 2.469 20 5 CEBDLO C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000119012178 394762604 /nfs/dbraw/zinc/76/26/04/394762604.db2.gz YMJSOPKDZWQCML-SECBINFHSA-N 1 2 270.716 2.469 20 5 CEBDLO CC[C@H](C)[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000347994093 395133216 /nfs/dbraw/zinc/13/32/16/395133216.db2.gz DKNWQXIRMNDDGD-SMDDNHRTSA-N 1 2 294.351 2.315 20 5 CEBDLO O=[N+]([O-])c1cc(C[NH+]2CCC3(CC2)OCCCO3)cs1 ZINC000293017439 395214959 /nfs/dbraw/zinc/21/49/59/395214959.db2.gz ONNBPRTVLDMFIV-UHFFFAOYSA-N 1 2 298.364 2.385 20 5 CEBDLO O=[N+]([O-])c1cn(Cc2[nH+]ccn2-c2ccccc2)cn1 ZINC000434642874 395316428 /nfs/dbraw/zinc/31/64/28/395316428.db2.gz NICJVURVSSBTFW-UHFFFAOYSA-N 1 2 269.264 2.025 20 5 CEBDLO Cn1c[nH+]cc1CSc1ncccc1[N+](=O)[O-] ZINC000439541541 395275593 /nfs/dbraw/zinc/27/55/93/395275593.db2.gz MYMYVQSTFMGKKB-UHFFFAOYSA-N 1 2 250.283 2.016 20 5 CEBDLO CC[C@H]1C[C@H]([NH+]=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)CCO1 ZINC000420629323 395392745 /nfs/dbraw/zinc/39/27/45/395392745.db2.gz GNFWMWBYBISMBG-KOLCDFICSA-N 1 2 290.323 2.263 20 5 CEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccn2cc[nH+]c2c1 ZINC000355284431 395397064 /nfs/dbraw/zinc/39/70/64/395397064.db2.gz AMMCCPBUEXPXKC-UHFFFAOYSA-N 1 2 296.286 2.424 20 5 CEBDLO CCCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448566781 395518298 /nfs/dbraw/zinc/51/82/98/395518298.db2.gz SHPWZOLZHXLDRX-UHFFFAOYSA-N 1 2 288.307 2.310 20 5 CEBDLO Cc1ccc(NC(=O)C=Cc2c[nH]c[nH+]2)cc1[N+](=O)[O-] ZINC000493725645 395672287 /nfs/dbraw/zinc/67/22/87/395672287.db2.gz ODCHKPXCAYMQLA-SNAWJCMRSA-N 1 2 272.264 2.278 20 5 CEBDLO COc1cc(F)c([N+](=O)[O-])c(NCc2ccc(N)[nH+]c2)c1 ZINC000302765574 154192098 /nfs/dbraw/zinc/19/20/98/154192098.db2.gz LLYWLGQDMLDVPM-UHFFFAOYSA-N 1 2 292.270 2.332 20 5 CEBDLO O=[N+]([O-])c1cnn([C@H]2CCCN(c3cccc[nH+]3)C2)c1 ZINC000375383108 157089866 /nfs/dbraw/zinc/08/98/66/157089866.db2.gz ZRERQWQINXDQPO-NSHDSACASA-N 1 2 273.296 2.028 20 5 CEBDLO Cc1cc(NC(=O)c2c(N)cccc2[N+](=O)[O-])cc[nH+]1 ZINC000181073265 165327886 /nfs/dbraw/zinc/32/78/86/165327886.db2.gz GCAKCPVGPOSALJ-UHFFFAOYSA-N 1 2 272.264 2.133 20 5 CEBDLO C[C@@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H]1CO ZINC000285166899 196211822 /nfs/dbraw/zinc/21/18/22/196211822.db2.gz CGBLNJAYAWICGS-OQPBUACISA-N 1 2 286.278 2.076 20 5 CEBDLO C[C@@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H]1CO ZINC000285166899 196211824 /nfs/dbraw/zinc/21/18/24/196211824.db2.gz CGBLNJAYAWICGS-OQPBUACISA-N 1 2 286.278 2.076 20 5 CEBDLO CC(C)CNC(=O)[C@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192638546 270279116 /nfs/dbraw/zinc/27/91/16/270279116.db2.gz AKAOICVZWWLUBH-LBPRGKRZSA-N 1 2 293.367 2.187 20 5 CEBDLO CC(C)CNC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192638546 270279117 /nfs/dbraw/zinc/27/91/17/270279117.db2.gz AKAOICVZWWLUBH-LBPRGKRZSA-N 1 2 293.367 2.187 20 5 CEBDLO C[C@H]([NH2+][C@@H](C(N)=O)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000340922429 279496025 /nfs/dbraw/zinc/49/60/25/279496025.db2.gz XHULNVXUSIQONU-XHDPSFHLSA-N 1 2 299.330 2.472 20 5 CEBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@H](O)C1 ZINC000107904827 280372309 /nfs/dbraw/zinc/37/23/09/280372309.db2.gz FIZNVGXRLFYOKH-VIFPVBQESA-N 1 2 270.716 2.205 20 5 CEBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@H](O)C1 ZINC000107904827 280372311 /nfs/dbraw/zinc/37/23/11/280372311.db2.gz FIZNVGXRLFYOKH-VIFPVBQESA-N 1 2 270.716 2.205 20 5 CEBDLO C[C@H]1C[C@H](NC(=O)c2csc([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000456397459 289605393 /nfs/dbraw/zinc/60/53/93/289605393.db2.gz TWDWNSXVRRKDIC-CBAPKCEASA-N 1 2 292.320 2.289 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccn(C)n1 ZINC000459776743 290236122 /nfs/dbraw/zinc/23/61/22/290236122.db2.gz LAGDHAPXNXJKMC-JTQLQIEISA-N 1 2 290.323 2.188 20 5 CEBDLO O=[N+]([O-])c1cc2c(nc1N1CCn3c[nH+]cc3C1)CCCC2 ZINC000563034521 313718289 /nfs/dbraw/zinc/71/82/89/313718289.db2.gz CELWGNDBYCJFCX-UHFFFAOYSA-N 1 2 299.334 2.085 20 5 CEBDLO C[C@@]1([NH3+])CCCC[C@H]1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000576940866 314325387 /nfs/dbraw/zinc/32/53/87/314325387.db2.gz HGXHHXUJTRIDIG-IINYFYTJSA-N 1 2 293.323 2.147 20 5 CEBDLO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1ncccn1 ZINC000577769518 314413253 /nfs/dbraw/zinc/41/32/53/314413253.db2.gz NTRUXSLFFWHZRB-LBPRGKRZSA-N 1 2 270.292 2.162 20 5 CEBDLO CCn1c(C)nc([N+](=O)[O-])c1NCCc1ccc(C)[nH+]c1 ZINC000583402546 322544420 /nfs/dbraw/zinc/54/44/20/322544420.db2.gz KHLDUEXXYSDHPZ-UHFFFAOYSA-N 1 2 289.339 2.478 20 5 CEBDLO Cc1ccc(C[N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)s1 ZINC000355948480 533876415 /nfs/dbraw/zinc/87/64/15/533876415.db2.gz UXUNLSOWUGDQNX-UHFFFAOYSA-N 1 2 280.353 2.330 20 5 CEBDLO Cc1ccc(C[N@H+](C)Cc2c([N+](=O)[O-])ncn2C)s1 ZINC000355948480 533876425 /nfs/dbraw/zinc/87/64/25/533876425.db2.gz UXUNLSOWUGDQNX-UHFFFAOYSA-N 1 2 280.353 2.330 20 5 CEBDLO CCOc1cc(NCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000111047892 528327438 /nfs/dbraw/zinc/32/74/38/528327438.db2.gz NBUVOWPFXMVPGW-UHFFFAOYSA-N 1 2 276.296 2.302 20 5 CEBDLO C[N@@H+]1CCCC[C@H]1C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000741146147 574977386 /nfs/dbraw/zinc/97/73/86/574977386.db2.gz CDAFVGLFEARZEB-ZDUSSCGKSA-N 1 2 278.308 2.122 20 5 CEBDLO C[N@H+]1CCCC[C@H]1C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000741146147 574977388 /nfs/dbraw/zinc/97/73/88/574977388.db2.gz CDAFVGLFEARZEB-ZDUSSCGKSA-N 1 2 278.308 2.122 20 5 CEBDLO CC[N@H+](CCC(F)(F)F)Cn1cc([N+](=O)[O-])cn1 ZINC000748290734 575182127 /nfs/dbraw/zinc/18/21/27/575182127.db2.gz BVRQOMPJGBMKSP-UHFFFAOYSA-N 1 2 266.223 2.023 20 5 CEBDLO CC[N@@H+](CCC(F)(F)F)Cn1cc([N+](=O)[O-])cn1 ZINC000748290734 575182128 /nfs/dbraw/zinc/18/21/28/575182128.db2.gz BVRQOMPJGBMKSP-UHFFFAOYSA-N 1 2 266.223 2.023 20 5 CEBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)OCCn1cc[nH+]c1 ZINC000817239494 633604870 /nfs/dbraw/zinc/60/48/70/633604870.db2.gz MBUHVIFBTRTVGG-UHFFFAOYSA-N 1 2 289.291 2.265 20 5 CEBDLO Cc1nn(C[N@@H+]2CCS[C@@H](C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000173478416 639859821 /nfs/dbraw/zinc/85/98/21/639859821.db2.gz GNVDPYRMJKZPCE-GFCCVEGCSA-N 1 2 298.412 2.439 20 5 CEBDLO Cc1nn(C[N@H+]2CCS[C@@H](C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000173478416 639859827 /nfs/dbraw/zinc/85/98/27/639859827.db2.gz GNVDPYRMJKZPCE-GFCCVEGCSA-N 1 2 298.412 2.439 20 5 CEBDLO CC[C@@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000844390623 640705194 /nfs/dbraw/zinc/70/51/94/640705194.db2.gz IYLOPICQNDGWHB-NILFDRSVSA-N 1 2 294.351 2.128 20 5 CEBDLO CC[C@@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000844390623 640705199 /nfs/dbraw/zinc/70/51/99/640705199.db2.gz IYLOPICQNDGWHB-NILFDRSVSA-N 1 2 294.351 2.128 20 5 CEBDLO O=[N+]([O-])c1cnn(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)c1 ZINC000766094055 645846087 /nfs/dbraw/zinc/84/60/87/645846087.db2.gz UONVAQQHXKOEDR-MRVPVSSYSA-N 1 2 278.234 2.023 20 5 CEBDLO O=[N+]([O-])c1cnn(C[N@H+]2CC[C@H](CC(F)(F)F)C2)c1 ZINC000766094055 645846091 /nfs/dbraw/zinc/84/60/91/645846091.db2.gz UONVAQQHXKOEDR-MRVPVSSYSA-N 1 2 278.234 2.023 20 5 CEBDLO Cc1cc(C[N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)no1 ZINC000776578052 647072694 /nfs/dbraw/zinc/07/26/94/647072694.db2.gz AGXKDDUJZCEOHV-AWEZNQCLSA-N 1 2 291.307 2.057 20 5 CEBDLO Cc1cc(C[N@@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)no1 ZINC000776578052 647072696 /nfs/dbraw/zinc/07/26/96/647072696.db2.gz AGXKDDUJZCEOHV-AWEZNQCLSA-N 1 2 291.307 2.057 20 5 CEBDLO CC[C@@H]([NH2+]CC[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000791054621 648477076 /nfs/dbraw/zinc/47/70/76/648477076.db2.gz LZDOOHXUQIIQGP-ZCFIWIBFSA-N 1 2 283.275 2.479 20 5 CEBDLO C[C@@H]([NH2+]Cc1ccnn1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872020355 649242822 /nfs/dbraw/zinc/24/28/22/649242822.db2.gz GMWGVODUSQPWPD-SECBINFHSA-N 1 2 278.287 2.318 20 5 CEBDLO Cc1nonc1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000872136654 649289241 /nfs/dbraw/zinc/28/92/41/649289241.db2.gz NYYCFHHWKRFUJX-CYBMUJFWSA-N 1 2 288.307 2.453 20 5 CEBDLO Cc1csc([C@@H]2CC[N@H+](Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000872807665 649494936 /nfs/dbraw/zinc/49/49/36/649494936.db2.gz XWIFIHBLSFVHQZ-SNVBAGLBSA-N 1 2 293.352 2.003 20 5 CEBDLO Cc1csc([C@@H]2CC[N@@H+](Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000872807665 649494940 /nfs/dbraw/zinc/49/49/40/649494940.db2.gz XWIFIHBLSFVHQZ-SNVBAGLBSA-N 1 2 293.352 2.003 20 5 CEBDLO CCn1cc(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)nn1 ZINC000873136772 649566895 /nfs/dbraw/zinc/56/68/95/649566895.db2.gz IIYKEKSRNWPHRH-UHFFFAOYSA-N 1 2 289.339 2.113 20 5 CEBDLO Cc1ccc(O[C@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC001226950973 805805333 /nfs/dbraw/zinc/80/53/33/805805333.db2.gz RGXMICDGUVNVHP-GFCCVEGCSA-N 1 2 280.324 2.003 20 5 CEBDLO CCC[N@H+](CC[N+](=O)[O-])[C@H](C)C(=O)Nc1ccccc1C ZINC001119856514 815165455 /nfs/dbraw/zinc/16/54/55/815165455.db2.gz YXVRQMMOKFIDMF-CYBMUJFWSA-N 1 2 293.367 2.311 20 5 CEBDLO CCC[N@@H+](CC[N+](=O)[O-])[C@H](C)C(=O)Nc1ccccc1C ZINC001119856514 815165458 /nfs/dbraw/zinc/16/54/58/815165458.db2.gz YXVRQMMOKFIDMF-CYBMUJFWSA-N 1 2 293.367 2.311 20 5 CEBDLO CCOC(=O)C[N@H+](C)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173222059 815626363 /nfs/dbraw/zinc/62/63/63/815626363.db2.gz OVULSCMVARJIBB-NSHDSACASA-N 1 2 280.324 2.021 20 5 CEBDLO CCOC(=O)C[N@@H+](C)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173222059 815626369 /nfs/dbraw/zinc/62/63/69/815626369.db2.gz OVULSCMVARJIBB-NSHDSACASA-N 1 2 280.324 2.021 20 5 CEBDLO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC2(CCO2)C1 ZINC001173231895 815632270 /nfs/dbraw/zinc/63/22/70/815632270.db2.gz DLDCSLWOAMARTM-NSHDSACASA-N 1 2 262.309 2.001 20 5 CEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCCC1 ZINC000032478154 361738632 /nfs/dbraw/zinc/73/86/32/361738632.db2.gz QUJTWJAOTFWPHX-UHFFFAOYSA-N 1 2 286.291 2.017 20 5 CEBDLO COC(=O)[C@@H]1CCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000124752785 187151525 /nfs/dbraw/zinc/15/15/25/187151525.db2.gz GOSGKOUFKRDZCC-GBXSZLQWSA-N 1 2 290.319 2.245 20 5 CEBDLO COC(=O)[C@@H]1CCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000124752785 187151526 /nfs/dbraw/zinc/15/15/26/187151526.db2.gz GOSGKOUFKRDZCC-GBXSZLQWSA-N 1 2 290.319 2.245 20 5 CEBDLO CNc1ccc(Nc2nc3sccn3c2[N+](=O)[O-])c[nH+]1 ZINC000042739441 343455160 /nfs/dbraw/zinc/45/51/60/343455160.db2.gz JUMYPEWOFDQCIF-UHFFFAOYSA-N 1 2 290.308 2.484 20 5 CEBDLO C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000045784313 343488406 /nfs/dbraw/zinc/48/84/06/343488406.db2.gz WWOGTUIPPALIQD-GHMZBOCLSA-N 1 2 250.298 2.204 20 5 CEBDLO C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000045784313 343488407 /nfs/dbraw/zinc/48/84/07/343488407.db2.gz WWOGTUIPPALIQD-GHMZBOCLSA-N 1 2 250.298 2.204 20 5 CEBDLO COC(=O)[C@@H](CC(C)C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000043435179 343463728 /nfs/dbraw/zinc/46/37/28/343463728.db2.gz FOLRRAZUAJVJNX-CQSZACIVSA-N 1 2 294.351 2.315 20 5 CEBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC(=O)N1CCCC1 ZINC000050508330 343545033 /nfs/dbraw/zinc/54/50/33/343545033.db2.gz RCVNTQKDGNWBAI-GFCCVEGCSA-N 1 2 291.351 2.210 20 5 CEBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(=O)N1CCCC1 ZINC000050508330 343545036 /nfs/dbraw/zinc/54/50/36/343545036.db2.gz RCVNTQKDGNWBAI-GFCCVEGCSA-N 1 2 291.351 2.210 20 5 CEBDLO COc1ccc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000054342898 343588205 /nfs/dbraw/zinc/58/82/05/343588205.db2.gz COZRZSWWXHXBOU-WFASDCNBSA-N 1 2 292.335 2.357 20 5 CEBDLO COc1ccc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000054342898 343588206 /nfs/dbraw/zinc/58/82/06/343588206.db2.gz COZRZSWWXHXBOU-WFASDCNBSA-N 1 2 292.335 2.357 20 5 CEBDLO Cn1cc(C[N@H+](C)Cc2ccsc2)c([N+](=O)[O-])n1 ZINC000602437016 347032350 /nfs/dbraw/zinc/03/23/50/347032350.db2.gz QBYIFDOJOYSJAP-UHFFFAOYSA-N 1 2 266.326 2.022 20 5 CEBDLO Cn1cc(C[N@@H+](C)Cc2ccsc2)c([N+](=O)[O-])n1 ZINC000602437016 347032352 /nfs/dbraw/zinc/03/23/52/347032352.db2.gz QBYIFDOJOYSJAP-UHFFFAOYSA-N 1 2 266.326 2.022 20 5 CEBDLO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1nncn1C ZINC000050418172 362421141 /nfs/dbraw/zinc/42/11/41/362421141.db2.gz YQWQRFGIESKUJY-QMMMGPOBSA-N 1 2 295.730 2.228 20 5 CEBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3C[C@H]4CCC[C@H]43)nc2c1 ZINC000584759419 344983153 /nfs/dbraw/zinc/98/31/53/344983153.db2.gz QZZHUDQGPSGOND-NOZJJQNGSA-N 1 2 272.308 2.455 20 5 CEBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3C[C@H]4CCC[C@H]43)nc2c1 ZINC000584759419 344983155 /nfs/dbraw/zinc/98/31/55/344983155.db2.gz QZZHUDQGPSGOND-NOZJJQNGSA-N 1 2 272.308 2.455 20 5 CEBDLO CCCNC(=O)C[N@H+](CCC)Cc1csc([N+](=O)[O-])c1 ZINC000054271554 362521573 /nfs/dbraw/zinc/52/15/73/362521573.db2.gz QIBFZSAXMYWCIW-UHFFFAOYSA-N 1 2 299.396 2.395 20 5 CEBDLO CCCNC(=O)C[N@@H+](CCC)Cc1csc([N+](=O)[O-])c1 ZINC000054271554 362521578 /nfs/dbraw/zinc/52/15/78/362521578.db2.gz QIBFZSAXMYWCIW-UHFFFAOYSA-N 1 2 299.396 2.395 20 5 CEBDLO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCn2c[nH+]cc2C1 ZINC000590599839 345150384 /nfs/dbraw/zinc/15/03/84/345150384.db2.gz RPRWOVBUAAJHGA-LLVKDONJSA-N 1 2 272.308 2.368 20 5 CEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3C[C@@H]4CC[C@@H](O)[C@H]4C3)c2c1 ZINC000591154989 345226300 /nfs/dbraw/zinc/22/63/00/345226300.db2.gz MZJCPLHSQZAYCN-TUKIKUTGSA-N 1 2 299.330 2.350 20 5 CEBDLO Cc1c(C(=O)NC(C)(C)c2[nH]cc[nH+]2)cccc1[N+](=O)[O-] ZINC000593733887 345529422 /nfs/dbraw/zinc/52/94/22/345529422.db2.gz BWANJFIPHVITQM-UHFFFAOYSA-N 1 2 288.307 2.291 20 5 CEBDLO O=[N+]([O-])c1cccc(C[NH+]2CC3(CC3(F)F)C2)c1 ZINC000594608644 345660670 /nfs/dbraw/zinc/66/06/70/345660670.db2.gz HYYLOVQSOXJWBZ-UHFFFAOYSA-N 1 2 254.236 2.436 20 5 CEBDLO CCn1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)nn1 ZINC000595069712 345739307 /nfs/dbraw/zinc/73/93/07/345739307.db2.gz QXHXNXFZQUVHQJ-NSHDSACASA-N 1 2 289.339 2.365 20 5 CEBDLO COc1cc(CN(C)Cc2c[nH+]c[nH]2)c([N+](=O)[O-])cc1F ZINC000595591755 345819956 /nfs/dbraw/zinc/81/99/56/345819956.db2.gz JKEAICYUWBGGDL-UHFFFAOYSA-N 1 2 294.286 2.098 20 5 CEBDLO COc1cc(CN(C)Cc2c[nH]c[nH+]2)c([N+](=O)[O-])cc1F ZINC000595591755 345819958 /nfs/dbraw/zinc/81/99/58/345819958.db2.gz JKEAICYUWBGGDL-UHFFFAOYSA-N 1 2 294.286 2.098 20 5 CEBDLO C[C@@H]1COCCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595388013 345772135 /nfs/dbraw/zinc/77/21/35/345772135.db2.gz SAIYNLQTHFHOLM-SNVBAGLBSA-N 1 2 268.288 2.345 20 5 CEBDLO C[C@@H]1COCCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595388013 345772137 /nfs/dbraw/zinc/77/21/37/345772137.db2.gz SAIYNLQTHFHOLM-SNVBAGLBSA-N 1 2 268.288 2.345 20 5 CEBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCOC2(CCC2)C1 ZINC000595403718 345774574 /nfs/dbraw/zinc/77/45/74/345774574.db2.gz HIZWREYCPAITTG-UHFFFAOYSA-N 1 2 280.299 2.489 20 5 CEBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCOC2(CCC2)C1 ZINC000595403718 345774576 /nfs/dbraw/zinc/77/45/76/345774576.db2.gz HIZWREYCPAITTG-UHFFFAOYSA-N 1 2 280.299 2.489 20 5 CEBDLO Cc1cc(N2CCc3[nH+]c[nH]c3C2)c(F)cc1[N+](=O)[O-] ZINC000596236231 345976304 /nfs/dbraw/zinc/97/63/04/345976304.db2.gz FHBBPMUEXVKONJ-UHFFFAOYSA-N 1 2 276.271 2.328 20 5 CEBDLO CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)c1[nH+]ccn1C ZINC000596544109 346050909 /nfs/dbraw/zinc/05/09/09/346050909.db2.gz YLTFGVFRDARNAS-MRVPVSSYSA-N 1 2 278.316 2.026 20 5 CEBDLO Cc1[nH+]c[nH]c1CC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000597666040 346212437 /nfs/dbraw/zinc/21/24/37/346212437.db2.gz HWZYVHKKPNXVPO-UHFFFAOYSA-N 1 2 288.307 2.424 20 5 CEBDLO Cc1cccc(C(=O)N[C@H](C)c2[nH+]ccn2C)c1[N+](=O)[O-] ZINC000598459191 346360364 /nfs/dbraw/zinc/36/03/64/346360364.db2.gz DXHUDYWHQDZDNV-SNVBAGLBSA-N 1 2 288.307 2.128 20 5 CEBDLO C[C@@]1(O)CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599056827 346453712 /nfs/dbraw/zinc/45/37/12/346453712.db2.gz VWYINVBCZRTCST-CQSZACIVSA-N 1 2 273.292 2.104 20 5 CEBDLO CC[C@]1(O)CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599071058 346456120 /nfs/dbraw/zinc/45/61/20/346456120.db2.gz OQBIWEXEMZIZJN-HNNXBMFYSA-N 1 2 287.319 2.494 20 5 CEBDLO Cc1cc[nH+]c([C@H]2CCN(c3c([N+](=O)[O-])ncn3C)C2)c1 ZINC000599101526 346460567 /nfs/dbraw/zinc/46/05/67/346460567.db2.gz QNMOIQLNPFOZSF-NSHDSACASA-N 1 2 287.323 2.026 20 5 CEBDLO C[C@H](c1cccc(O)c1)[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602791723 347199627 /nfs/dbraw/zinc/19/96/27/347199627.db2.gz IJMYNAHQWNHMAK-SNVBAGLBSA-N 1 2 290.323 2.227 20 5 CEBDLO C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602791723 347199629 /nfs/dbraw/zinc/19/96/29/347199629.db2.gz IJMYNAHQWNHMAK-SNVBAGLBSA-N 1 2 290.323 2.227 20 5 CEBDLO Cc1ccc(NCC[N@H+]2CCOC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000610468610 347682556 /nfs/dbraw/zinc/68/25/56/347682556.db2.gz SGZOPNSVOQUPPB-LBPRGKRZSA-N 1 2 279.340 2.036 20 5 CEBDLO Cc1ccc(NCC[N@@H+]2CCOC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000610468610 347682558 /nfs/dbraw/zinc/68/25/58/347682558.db2.gz SGZOPNSVOQUPPB-LBPRGKRZSA-N 1 2 279.340 2.036 20 5 CEBDLO CCNC(=O)C[N@H+](C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000611262371 347760078 /nfs/dbraw/zinc/76/00/78/347760078.db2.gz PLCQARMQUSDWMN-UHFFFAOYSA-N 1 2 293.367 2.286 20 5 CEBDLO CCNC(=O)C[N@@H+](C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000611262371 347760080 /nfs/dbraw/zinc/76/00/80/347760080.db2.gz PLCQARMQUSDWMN-UHFFFAOYSA-N 1 2 293.367 2.286 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC=CCC1 ZINC000611517405 347789567 /nfs/dbraw/zinc/78/95/67/347789567.db2.gz YVMVLUMIBFDBEC-UHFFFAOYSA-N 1 2 275.308 2.104 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC=CCC1 ZINC000611517405 347789571 /nfs/dbraw/zinc/78/95/71/347789571.db2.gz YVMVLUMIBFDBEC-UHFFFAOYSA-N 1 2 275.308 2.104 20 5 CEBDLO CC[C@@H]1COCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351931102 219253319 /nfs/dbraw/zinc/25/33/19/219253319.db2.gz OFILLRULTMGHCN-GFCCVEGCSA-N 1 2 280.324 2.214 20 5 CEBDLO CC[C@@H]1COCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351931102 219253321 /nfs/dbraw/zinc/25/33/21/219253321.db2.gz OFILLRULTMGHCN-GFCCVEGCSA-N 1 2 280.324 2.214 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC12CCOCC2 ZINC000618614673 348998118 /nfs/dbraw/zinc/99/81/18/348998118.db2.gz SDCQYPWBFOYBSH-UHFFFAOYSA-N 1 2 278.308 2.055 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC12CCOCC2 ZINC000618614673 348998119 /nfs/dbraw/zinc/99/81/19/348998119.db2.gz SDCQYPWBFOYBSH-UHFFFAOYSA-N 1 2 278.308 2.055 20 5 CEBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCOC3(CCC3)C2)c1 ZINC000154227006 188129958 /nfs/dbraw/zinc/12/99/58/188129958.db2.gz TYNCUHXCBOPCPX-UHFFFAOYSA-N 1 2 262.309 2.350 20 5 CEBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCOC3(CCC3)C2)c1 ZINC000154227006 188129959 /nfs/dbraw/zinc/12/99/59/188129959.db2.gz TYNCUHXCBOPCPX-UHFFFAOYSA-N 1 2 262.309 2.350 20 5 CEBDLO Cc1[nH]ncc1C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294922755 199250869 /nfs/dbraw/zinc/25/08/69/199250869.db2.gz XDGQIALJKSIJEZ-QMMMGPOBSA-N 1 2 275.312 2.059 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000140904924 366564826 /nfs/dbraw/zinc/56/48/26/366564826.db2.gz KHTPQUCDOBMDAX-SECBINFHSA-N 1 2 274.280 2.117 20 5 CEBDLO COCC(C)(C)[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339208601 366694517 /nfs/dbraw/zinc/69/45/17/366694517.db2.gz BGLFIGWOJVZRRZ-UHFFFAOYSA-N 1 2 268.313 2.157 20 5 CEBDLO COCC(C)(C)[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339208601 366694524 /nfs/dbraw/zinc/69/45/24/366694524.db2.gz BGLFIGWOJVZRRZ-UHFFFAOYSA-N 1 2 268.313 2.157 20 5 CEBDLO Cc1cccc(NC[C@H](C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000275415098 193027005 /nfs/dbraw/zinc/02/70/05/193027005.db2.gz GWDSOJISRLAHAW-LBPRGKRZSA-N 1 2 279.340 2.036 20 5 CEBDLO Cc1c([C@@H](C)[NH2+][C@@H](C)c2ncn(C)n2)cccc1[N+](=O)[O-] ZINC000275738792 193117771 /nfs/dbraw/zinc/11/77/71/193117771.db2.gz QDDXHPSPXUEWNY-MNOVXSKESA-N 1 2 289.339 2.444 20 5 CEBDLO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@@H](O)C1CC1 ZINC000586766162 367188544 /nfs/dbraw/zinc/18/85/44/367188544.db2.gz RNEDAHHYTGYSLY-CYBMUJFWSA-N 1 2 286.278 2.076 20 5 CEBDLO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@@H](O)C1CC1 ZINC000586766162 367188547 /nfs/dbraw/zinc/18/85/47/367188547.db2.gz RNEDAHHYTGYSLY-CYBMUJFWSA-N 1 2 286.278 2.076 20 5 CEBDLO CO[C@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000170818322 367424026 /nfs/dbraw/zinc/42/40/26/367424026.db2.gz LIYRSXAKQNHMCO-JTQLQIEISA-N 1 2 256.327 2.267 20 5 CEBDLO CO[C@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000170818322 367424030 /nfs/dbraw/zinc/42/40/30/367424030.db2.gz LIYRSXAKQNHMCO-JTQLQIEISA-N 1 2 256.327 2.267 20 5 CEBDLO Cn1cc[nH+]c1[C@@H](Nc1ncccc1[N+](=O)[O-])C1CC1 ZINC000343275286 367739942 /nfs/dbraw/zinc/73/99/42/367739942.db2.gz SUWOKZDICYZOAE-NSHDSACASA-N 1 2 273.296 2.287 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1nccn1C ZINC000182829594 368594017 /nfs/dbraw/zinc/59/40/17/368594017.db2.gz IUPAMGSNLNUEMS-SNVBAGLBSA-N 1 2 290.323 2.188 20 5 CEBDLO O=[N+]([O-])c1ccccc1C[NH2+][C@H](CCO)c1ccco1 ZINC000185122712 368752161 /nfs/dbraw/zinc/75/21/61/368752161.db2.gz WFMXUXRQTBHPLL-GFCCVEGCSA-N 1 2 276.292 2.401 20 5 CEBDLO COc1cc[nH+]cc1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000346707092 368782233 /nfs/dbraw/zinc/78/22/33/368782233.db2.gz PTNPRMRNSFQKKI-UHFFFAOYSA-N 1 2 279.277 2.312 20 5 CEBDLO O=[N+]([O-])c1ccc(-c2noc(CCn3cc[nH+]c3)n2)s1 ZINC000350822412 369575745 /nfs/dbraw/zinc/57/57/45/369575745.db2.gz FURSHVYBMDOJQU-UHFFFAOYSA-N 1 2 291.292 2.146 20 5 CEBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000193674649 369970873 /nfs/dbraw/zinc/97/08/73/369970873.db2.gz QENUOMSZXBXLQT-GFCCVEGCSA-N 1 2 295.295 2.114 20 5 CEBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000193674649 369970875 /nfs/dbraw/zinc/97/08/75/369970875.db2.gz QENUOMSZXBXLQT-GFCCVEGCSA-N 1 2 295.295 2.114 20 5 CEBDLO Cc1c(C[N@H+]2CC[C@H](C)[S@](=O)CC2)cccc1[N+](=O)[O-] ZINC000277254735 374454822 /nfs/dbraw/zinc/45/48/22/374454822.db2.gz QLWYBMOAFVREON-PRWKNARSSA-N 1 2 296.392 2.246 20 5 CEBDLO Cc1c(C[N@@H+]2CC[C@H](C)[S@](=O)CC2)cccc1[N+](=O)[O-] ZINC000277254735 374454826 /nfs/dbraw/zinc/45/48/26/374454826.db2.gz QLWYBMOAFVREON-PRWKNARSSA-N 1 2 296.392 2.246 20 5 CEBDLO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330566914 377188875 /nfs/dbraw/zinc/18/88/75/377188875.db2.gz AWDNRHYBQIIYAD-UWVGGRQHSA-N 1 2 293.323 2.436 20 5 CEBDLO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330566914 377188884 /nfs/dbraw/zinc/18/88/84/377188884.db2.gz AWDNRHYBQIIYAD-UWVGGRQHSA-N 1 2 293.323 2.436 20 5 CEBDLO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1C ZINC000293286785 377505871 /nfs/dbraw/zinc/50/58/71/377505871.db2.gz CXNQHPYWBTWNAM-IUCAKERBSA-N 1 2 265.269 2.343 20 5 CEBDLO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1C ZINC000293286785 377505874 /nfs/dbraw/zinc/50/58/74/377505874.db2.gz CXNQHPYWBTWNAM-IUCAKERBSA-N 1 2 265.269 2.343 20 5 CEBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@@H](O)CC2)c(F)c1 ZINC000293226656 377482359 /nfs/dbraw/zinc/48/23/59/377482359.db2.gz RYLLNCJRIISYFC-SNVBAGLBSA-N 1 2 286.278 2.220 20 5 CEBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@@H](O)CC2)c(F)c1 ZINC000293226656 377482362 /nfs/dbraw/zinc/48/23/62/377482362.db2.gz RYLLNCJRIISYFC-SNVBAGLBSA-N 1 2 286.278 2.220 20 5 CEBDLO C[C@H](CC(=O)NCc1ccc([N+](=O)[O-])cc1)n1cc[nH+]c1 ZINC000565052700 377546847 /nfs/dbraw/zinc/54/68/47/377546847.db2.gz WQDSYIAZMQKNFT-LLVKDONJSA-N 1 2 288.307 2.059 20 5 CEBDLO C[C@H](c1ccccc1[N+](=O)[O-])N1CCn2cc[nH+]c2C1 ZINC000332609168 377645036 /nfs/dbraw/zinc/64/50/36/377645036.db2.gz LHLWZNPPZAJALJ-LLVKDONJSA-N 1 2 272.308 2.368 20 5 CEBDLO Cc1nc(NC(=O)C[C@@H](C)n2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000566304710 377753988 /nfs/dbraw/zinc/75/39/88/377753988.db2.gz LRCIFBOVZURYIA-SECBINFHSA-N 1 2 289.295 2.085 20 5 CEBDLO O=[N+]([O-])c1ccc(N2CCCN(c3cccc[nH+]3)CC2)nc1 ZINC000302217589 379332322 /nfs/dbraw/zinc/33/23/22/379332322.db2.gz KIEDKHIVESNMJV-UHFFFAOYSA-N 1 2 299.334 2.102 20 5 CEBDLO Cc1cc(N[C@H](C)CO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000267167687 190308215 /nfs/dbraw/zinc/30/82/15/190308215.db2.gz HKKHGWCORRZDBS-SNVBAGLBSA-N 1 2 288.307 2.153 20 5 CEBDLO Cc1ccc(Cc2noc(-c3cc([N+](=O)[O-])cn3C)n2)c[nH+]1 ZINC000546348052 380405233 /nfs/dbraw/zinc/40/52/33/380405233.db2.gz DVSGDSXMQALZBX-UHFFFAOYSA-N 1 2 299.290 2.278 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1[C@H](C)C[C@@H]1C ZINC000547769616 380469866 /nfs/dbraw/zinc/46/98/66/380469866.db2.gz FBFIPWBNXWCTRY-PHIMTYICSA-N 1 2 277.324 2.324 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1[C@H](C)C[C@@H]1C ZINC000547769616 380469871 /nfs/dbraw/zinc/46/98/71/380469871.db2.gz FBFIPWBNXWCTRY-PHIMTYICSA-N 1 2 277.324 2.324 20 5 CEBDLO C[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)c1ccccc1[N+](=O)[O-] ZINC000492863664 380713417 /nfs/dbraw/zinc/71/34/17/380713417.db2.gz MMBXZZXETREASL-VQCYPWCPSA-N 1 2 286.291 2.209 20 5 CEBDLO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCc3cn[nH]c3C2)cs1 ZINC000374541469 285086704 /nfs/dbraw/zinc/08/67/04/285086704.db2.gz NWIUKJDHDAWWKJ-JTQLQIEISA-N 1 2 278.337 2.027 20 5 CEBDLO O=[N+]([O-])c1cccnc1N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000372316258 285166942 /nfs/dbraw/zinc/16/69/42/285166942.db2.gz LMVZYQZMIMACLP-GFCCVEGCSA-N 1 2 299.334 2.466 20 5 CEBDLO CC(C)(C)n1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)nn1 ZINC000189949559 130044144 /nfs/dbraw/zinc/04/41/44/130044144.db2.gz QAIFMPXCQTXEEY-UHFFFAOYSA-N 1 2 289.339 2.231 20 5 CEBDLO Cc1cc(N2CCc3ccc([N+](=O)[O-])cc3C2)nc[nH+]1 ZINC000301576457 394462370 /nfs/dbraw/zinc/46/23/70/394462370.db2.gz QRTIMBHSOROWCZ-UHFFFAOYSA-N 1 2 270.292 2.256 20 5 CEBDLO CC(C)C[C@@H](CO)[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339098482 394943055 /nfs/dbraw/zinc/94/30/55/394943055.db2.gz IISAGUSDTPZOAL-LBPRGKRZSA-N 1 2 282.340 2.139 20 5 CEBDLO CC(C)C[C@@H](CO)[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339098482 394943058 /nfs/dbraw/zinc/94/30/58/394943058.db2.gz IISAGUSDTPZOAL-LBPRGKRZSA-N 1 2 282.340 2.139 20 5 CEBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420933669 395439595 /nfs/dbraw/zinc/43/95/95/395439595.db2.gz HXHCHVMRCUHFAX-RISCZKNCSA-N 1 2 294.351 2.128 20 5 CEBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420933669 395439598 /nfs/dbraw/zinc/43/95/98/395439598.db2.gz HXHCHVMRCUHFAX-RISCZKNCSA-N 1 2 294.351 2.128 20 5 CEBDLO Cc1ccc(NC(=O)CCc2c[nH+]c[nH]2)cc1[N+](=O)[O-] ZINC000188391427 153055277 /nfs/dbraw/zinc/05/52/77/153055277.db2.gz CMHYFISYUHCZQU-UHFFFAOYSA-N 1 2 274.280 2.198 20 5 CEBDLO Cc1ccc(NC(=O)CCc2c[nH]c[nH+]2)cc1[N+](=O)[O-] ZINC000188391427 153055283 /nfs/dbraw/zinc/05/52/83/153055283.db2.gz CMHYFISYUHCZQU-UHFFFAOYSA-N 1 2 274.280 2.198 20 5 CEBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCCO1 ZINC000193868433 153246752 /nfs/dbraw/zinc/24/67/52/153246752.db2.gz UYHDLMAHNNJJPS-SNVBAGLBSA-N 1 2 295.295 2.114 20 5 CEBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCCO1 ZINC000193868433 153246754 /nfs/dbraw/zinc/24/67/54/153246754.db2.gz UYHDLMAHNNJJPS-SNVBAGLBSA-N 1 2 295.295 2.114 20 5 CEBDLO C[C@H]1CCN(c2ccc([N+](=O)[O-])cn2)C[C@H]1n1cc[nH+]c1 ZINC000268292844 154143088 /nfs/dbraw/zinc/14/30/88/154143088.db2.gz VEOQWSICBVWUFQ-WCQYABFASA-N 1 2 287.323 2.274 20 5 CEBDLO CC[N@H+](Cc1cn(C)nn1)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000359651912 155094503 /nfs/dbraw/zinc/09/45/03/155094503.db2.gz RPWUSUSJZPCLSR-NSHDSACASA-N 1 2 289.339 2.306 20 5 CEBDLO CC[N@@H+](Cc1cn(C)nn1)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000359651912 155094508 /nfs/dbraw/zinc/09/45/08/155094508.db2.gz RPWUSUSJZPCLSR-NSHDSACASA-N 1 2 289.339 2.306 20 5 CEBDLO CC[C@H](C(=O)OC)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285155766 196209215 /nfs/dbraw/zinc/20/92/15/196209215.db2.gz AEVSIVGFZDCNHH-GFCCVEGCSA-N 1 2 280.324 2.021 20 5 CEBDLO CC[C@H](C(=O)OC)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285155766 196209217 /nfs/dbraw/zinc/20/92/17/196209217.db2.gz AEVSIVGFZDCNHH-GFCCVEGCSA-N 1 2 280.324 2.021 20 5 CEBDLO CC(C)[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1nncn1C ZINC000285244908 196230447 /nfs/dbraw/zinc/23/04/47/196230447.db2.gz CARQUKHEDCGHNJ-NSHDSACASA-N 1 2 295.368 2.272 20 5 CEBDLO CC[C@@H]1C[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1O ZINC000285713905 196375006 /nfs/dbraw/zinc/37/50/06/196375006.db2.gz SMPVKCDVZDCHNY-AMIZOPFISA-N 1 2 286.278 2.076 20 5 CEBDLO CC[C@@H]1C[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1O ZINC000285713905 196375008 /nfs/dbraw/zinc/37/50/08/196375008.db2.gz SMPVKCDVZDCHNY-AMIZOPFISA-N 1 2 286.278 2.076 20 5 CEBDLO CC[C@H]1C[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1O ZINC000285713915 196375503 /nfs/dbraw/zinc/37/55/03/196375503.db2.gz SMPVKCDVZDCHNY-ISVAXAHUSA-N 1 2 286.278 2.076 20 5 CEBDLO CC[C@H]1C[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1O ZINC000285713915 196375504 /nfs/dbraw/zinc/37/55/04/196375504.db2.gz SMPVKCDVZDCHNY-ISVAXAHUSA-N 1 2 286.278 2.076 20 5 CEBDLO Cc1ccc(Cc2noc(-c3cc([N+](=O)[O-])c[nH]3)n2)c[nH+]1 ZINC000356109606 228124710 /nfs/dbraw/zinc/12/47/10/228124710.db2.gz AIFJINCRPOEQKZ-UHFFFAOYSA-N 1 2 285.263 2.267 20 5 CEBDLO CC[C@@H]1COCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430208378 271362956 /nfs/dbraw/zinc/36/29/56/271362956.db2.gz OQYDOYUXNKAVOE-GFCCVEGCSA-N 1 2 280.324 2.214 20 5 CEBDLO CC[C@@H]1COCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430208378 271362957 /nfs/dbraw/zinc/36/29/57/271362957.db2.gz OQYDOYUXNKAVOE-GFCCVEGCSA-N 1 2 280.324 2.214 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)cc1F ZINC000094774706 280364085 /nfs/dbraw/zinc/36/40/85/280364085.db2.gz IGKWWGMSDSYQTM-UONOGXRCSA-N 1 2 280.299 2.487 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)cc1F ZINC000094774706 280364086 /nfs/dbraw/zinc/36/40/86/280364086.db2.gz IGKWWGMSDSYQTM-UONOGXRCSA-N 1 2 280.299 2.487 20 5 CEBDLO C[C@@H]1c2ccccc2CC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000331914778 289076012 /nfs/dbraw/zinc/07/60/12/289076012.db2.gz DAPDFUGJQMDDLC-LLVKDONJSA-N 1 2 286.335 2.448 20 5 CEBDLO C[C@@H]1c2ccccc2CC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000331914778 289076014 /nfs/dbraw/zinc/07/60/14/289076014.db2.gz DAPDFUGJQMDDLC-LLVKDONJSA-N 1 2 286.335 2.448 20 5 CEBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000459790805 290241267 /nfs/dbraw/zinc/24/12/67/290241267.db2.gz HBIADHWXRRRNSH-IUCAKERBSA-N 1 2 268.313 2.424 20 5 CEBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000459790805 290241269 /nfs/dbraw/zinc/24/12/69/290241269.db2.gz HBIADHWXRRRNSH-IUCAKERBSA-N 1 2 268.313 2.424 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000532205475 298135377 /nfs/dbraw/zinc/13/53/77/298135377.db2.gz NJFUTHJJJUQGCX-LBPRGKRZSA-N 1 2 279.340 2.036 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1NCC[N@H+]1CCO[C@@H](C)C1 ZINC000532205475 298135379 /nfs/dbraw/zinc/13/53/79/298135379.db2.gz NJFUTHJJJUQGCX-LBPRGKRZSA-N 1 2 279.340 2.036 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H](CO)C1CCCCC1 ZINC000579381018 314581959 /nfs/dbraw/zinc/58/19/59/314581959.db2.gz RIJYXYHMSIDSEC-AWEZNQCLSA-N 1 2 294.351 2.331 20 5 CEBDLO Cc1ccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])nn1 ZINC000414370443 533877146 /nfs/dbraw/zinc/87/71/46/533877146.db2.gz LTGSKSYEXSHSMO-UHFFFAOYSA-N 1 2 272.308 2.325 20 5 CEBDLO Cc1ccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])nn1 ZINC000414370443 533877153 /nfs/dbraw/zinc/87/71/53/533877153.db2.gz LTGSKSYEXSHSMO-UHFFFAOYSA-N 1 2 272.308 2.325 20 5 CEBDLO CC(C)(CNc1ccccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000046230445 519272306 /nfs/dbraw/zinc/27/23/06/519272306.db2.gz BAIIMOGMHIOJMJ-UHFFFAOYSA-N 1 2 279.340 2.118 20 5 CEBDLO COc1cc(C[NH+]2CCC(C)(O)CC2)c([N+](=O)[O-])cc1F ZINC000184236562 522365660 /nfs/dbraw/zinc/36/56/60/522365660.db2.gz HKTVLABNIQAMIN-UHFFFAOYSA-N 1 2 298.314 2.089 20 5 CEBDLO C[C@H](Cn1cc[nH+]c1)Nc1cccc(F)c1[N+](=O)[O-] ZINC000049235988 628701153 /nfs/dbraw/zinc/70/11/53/628701153.db2.gz ZPPHDFCSUVJZAF-SECBINFHSA-N 1 2 264.260 2.431 20 5 CEBDLO C[NH+](C)C1(c2nc(Cc3ccccc3[N+](=O)[O-])no2)CC1 ZINC000895958637 630419507 /nfs/dbraw/zinc/41/95/07/630419507.db2.gz RHGMKFIQWGJLAU-UHFFFAOYSA-N 1 2 288.307 2.119 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCOCC3(CC3)C2)cc1F ZINC000801540368 631285961 /nfs/dbraw/zinc/28/59/61/631285961.db2.gz ZQVBCNAVEYWSDN-UHFFFAOYSA-N 1 2 280.299 2.346 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCOCC3(CC3)C2)cc1F ZINC000801540368 631285967 /nfs/dbraw/zinc/28/59/67/631285967.db2.gz ZQVBCNAVEYWSDN-UHFFFAOYSA-N 1 2 280.299 2.346 20 5 CEBDLO Cn1cc[nH+]c1CCCOC(=O)c1cccc([N+](=O)[O-])c1 ZINC000802787103 631459794 /nfs/dbraw/zinc/45/97/94/631459794.db2.gz BVTGXLHWFVXSJB-UHFFFAOYSA-N 1 2 289.291 2.118 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1cn(C)cn1 ZINC000903352988 635081406 /nfs/dbraw/zinc/08/14/06/635081406.db2.gz YDFHKYBKPLORSP-JTQLQIEISA-N 1 2 290.323 2.188 20 5 CEBDLO CC[C@H](C)[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)C(=O)OC ZINC000905762242 636448101 /nfs/dbraw/zinc/44/81/01/636448101.db2.gz LZPAVMJYAOQWMW-SMDDNHRTSA-N 1 2 294.351 2.315 20 5 CEBDLO O=C1OCC[C@H]1[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831539193 637365222 /nfs/dbraw/zinc/36/52/22/637365222.db2.gz OJSMMFDOTMWRIE-TZMCWYRMSA-N 1 2 290.319 2.090 20 5 CEBDLO O=C1OCC[C@H]1[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831539193 637365228 /nfs/dbraw/zinc/36/52/28/637365228.db2.gz OJSMMFDOTMWRIE-TZMCWYRMSA-N 1 2 290.319 2.090 20 5 CEBDLO O=[N+]([O-])CC[N@@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000929632311 640001820 /nfs/dbraw/zinc/00/18/20/640001820.db2.gz MWUJMZMQBLEAMQ-LBPRGKRZSA-N 1 2 256.252 2.378 20 5 CEBDLO O=[N+]([O-])CC[N@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000929632311 640001823 /nfs/dbraw/zinc/00/18/23/640001823.db2.gz MWUJMZMQBLEAMQ-LBPRGKRZSA-N 1 2 256.252 2.378 20 5 CEBDLO Nc1ccc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cn1 ZINC000843061895 640264115 /nfs/dbraw/zinc/26/41/15/640264115.db2.gz KQTGYZCAQLDPCP-UHFFFAOYSA-N 1 2 284.319 2.130 20 5 CEBDLO Nc1ccc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cn1 ZINC000843061895 640264120 /nfs/dbraw/zinc/26/41/20/640264120.db2.gz KQTGYZCAQLDPCP-UHFFFAOYSA-N 1 2 284.319 2.130 20 5 CEBDLO COCC[N@H+](CCF)Cc1cccc([N+](=O)[O-])c1C ZINC000852484012 643440367 /nfs/dbraw/zinc/44/03/67/643440367.db2.gz UTHMYPVJAFPDOZ-UHFFFAOYSA-N 1 2 270.304 2.321 20 5 CEBDLO COCC[N@@H+](CCF)Cc1cccc([N+](=O)[O-])c1C ZINC000852484012 643440372 /nfs/dbraw/zinc/44/03/72/643440372.db2.gz UTHMYPVJAFPDOZ-UHFFFAOYSA-N 1 2 270.304 2.321 20 5 CEBDLO C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1Cc1c[nH+]cn1C ZINC000759766710 645072899 /nfs/dbraw/zinc/07/28/99/645072899.db2.gz AZPMATPQDPAAJK-JTQLQIEISA-N 1 2 272.308 2.280 20 5 CEBDLO C[C@@H]1COCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774905502 646907878 /nfs/dbraw/zinc/90/78/78/646907878.db2.gz PAVUNZRZSCWMAA-SNVBAGLBSA-N 1 2 295.295 2.114 20 5 CEBDLO C[C@@H]1COCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774905502 646907880 /nfs/dbraw/zinc/90/78/80/646907880.db2.gz PAVUNZRZSCWMAA-SNVBAGLBSA-N 1 2 295.295 2.114 20 5 CEBDLO Cc1ccc(C[NH2+]Cc2cn(C(C)C)nn2)cc1[N+](=O)[O-] ZINC000865787269 647464693 /nfs/dbraw/zinc/46/46/93/647464693.db2.gz JXDMWMXXLWWANT-UHFFFAOYSA-N 1 2 289.339 2.365 20 5 CEBDLO C[N@@H+]1CCCC[C@@H]1C(=O)OCc1ccc([N+](=O)[O-])c(F)c1 ZINC000783775643 647761031 /nfs/dbraw/zinc/76/10/31/647761031.db2.gz HNFJLLDPALNVGY-CYBMUJFWSA-N 1 2 296.298 2.261 20 5 CEBDLO C[N@H+]1CCCC[C@@H]1C(=O)OCc1ccc([N+](=O)[O-])c(F)c1 ZINC000783775643 647761035 /nfs/dbraw/zinc/76/10/35/647761035.db2.gz HNFJLLDPALNVGY-CYBMUJFWSA-N 1 2 296.298 2.261 20 5 CEBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[NH+]1C2CCC1CC2 ZINC000794617375 648894446 /nfs/dbraw/zinc/89/44/46/648894446.db2.gz RSNGSOHICNJZEI-UHFFFAOYSA-N 1 2 289.291 2.087 20 5 CEBDLO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC=C(Cl)C2)cc1 ZINC000878792125 651186618 /nfs/dbraw/zinc/18/66/18/651186618.db2.gz WIIVFKASJKOQNH-ZDUSSCGKSA-N 1 2 282.727 2.457 20 5 CEBDLO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC=C(Cl)C2)cc1 ZINC000878792125 651186619 /nfs/dbraw/zinc/18/66/19/651186619.db2.gz WIIVFKASJKOQNH-ZDUSSCGKSA-N 1 2 282.727 2.457 20 5 CEBDLO CC[C@@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C(=O)OC ZINC001254532885 812462603 /nfs/dbraw/zinc/46/26/03/812462603.db2.gz ROCIJHXUMGXXMW-ZYHUDNBSSA-N 1 2 280.324 2.067 20 5 CEBDLO O=[N+]([O-])c1c(NCCCn2cc[nH+]c2)nc2sccn21 ZINC000035099595 361812223 /nfs/dbraw/zinc/81/22/23/361812223.db2.gz LRYMMAJEXGXHOX-UHFFFAOYSA-N 1 2 292.324 2.003 20 5 CEBDLO CCC[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000449255705 282160079 /nfs/dbraw/zinc/16/00/79/282160079.db2.gz GGFMXUHYLFBBSU-WCQYABFASA-N 1 2 294.351 2.457 20 5 CEBDLO CC[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000045751970 343487363 /nfs/dbraw/zinc/48/73/63/343487363.db2.gz LSEMYAZAMRGHRC-CYBMUJFWSA-N 1 2 250.298 2.206 20 5 CEBDLO CC[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000045751970 343487367 /nfs/dbraw/zinc/48/73/67/343487367.db2.gz LSEMYAZAMRGHRC-CYBMUJFWSA-N 1 2 250.298 2.206 20 5 CEBDLO O=[N+]([O-])c1cccc(N2CC[NH+](C/C=C/Cl)CC2)c1 ZINC000047743319 343521188 /nfs/dbraw/zinc/52/11/88/343521188.db2.gz NARGAASXDZCERK-GORDUTHDSA-N 1 2 281.743 2.469 20 5 CEBDLO CC(C)[C@@H](CNc1ccc([N+](=O)[O-])s1)[NH+]1CCOCC1 ZINC000048999604 343534101 /nfs/dbraw/zinc/53/41/01/343534101.db2.gz HLXYGULQMDGPSM-LLVKDONJSA-N 1 2 299.396 2.425 20 5 CEBDLO C[N@H+](Cc1cn[nH]c1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000085826294 344097081 /nfs/dbraw/zinc/09/70/81/344097081.db2.gz CJDJXUKRAWVKMK-UHFFFAOYSA-N 1 2 287.279 2.091 20 5 CEBDLO C[N@@H+](Cc1cn[nH]c1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000085826294 344097085 /nfs/dbraw/zinc/09/70/85/344097085.db2.gz CJDJXUKRAWVKMK-UHFFFAOYSA-N 1 2 287.279 2.091 20 5 CEBDLO Cn1cc(C[N@H+](C)Cc2ccc(F)c(F)c2)c([N+](=O)[O-])n1 ZINC000602439485 347033779 /nfs/dbraw/zinc/03/37/79/347033779.db2.gz GTNTZFMQBDLXFU-UHFFFAOYSA-N 1 2 296.277 2.239 20 5 CEBDLO Cn1cc(C[N@@H+](C)Cc2ccc(F)c(F)c2)c([N+](=O)[O-])n1 ZINC000602439485 347033783 /nfs/dbraw/zinc/03/37/83/347033783.db2.gz GTNTZFMQBDLXFU-UHFFFAOYSA-N 1 2 296.277 2.239 20 5 CEBDLO C[C@@H](Nc1nc2sccn2c1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000139879791 344396060 /nfs/dbraw/zinc/39/60/60/344396060.db2.gz LZAZHIOVOVUBFQ-ZCFIWIBFSA-N 1 2 278.297 2.200 20 5 CEBDLO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1nncn1C ZINC000050418174 362420636 /nfs/dbraw/zinc/42/06/36/362420636.db2.gz YQWQRFGIESKUJY-MRVPVSSYSA-N 1 2 295.730 2.228 20 5 CEBDLO Cn1c[nH+]c(CCNc2ccsc2[N+](=O)[O-])c1 ZINC000313487729 344742752 /nfs/dbraw/zinc/74/27/52/344742752.db2.gz RUBUCVUVLLMNCW-UHFFFAOYSA-N 1 2 252.299 2.044 20 5 CEBDLO CC(C)O[C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000592132929 345327392 /nfs/dbraw/zinc/32/73/92/345327392.db2.gz BYKIZHZDJIICAX-CYBMUJFWSA-N 1 2 280.324 2.300 20 5 CEBDLO CC(C)O[C@@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000592132929 345327394 /nfs/dbraw/zinc/32/73/94/345327394.db2.gz BYKIZHZDJIICAX-CYBMUJFWSA-N 1 2 280.324 2.300 20 5 CEBDLO Cc1c[nH+]c(CCNc2ncc([N+](=O)[O-])s2)c(C)c1 ZINC000594594921 345654938 /nfs/dbraw/zinc/65/49/38/345654938.db2.gz BDUQYVDNWKITFL-UHFFFAOYSA-N 1 2 278.337 2.140 20 5 CEBDLO O=[N+]([O-])c1ccc(CO)c(-c2c[nH+]c3n2CCCC3)c1 ZINC000600845987 346699801 /nfs/dbraw/zinc/69/98/01/346699801.db2.gz UKRDXARMSLDVOT-UHFFFAOYSA-N 1 2 273.292 2.287 20 5 CEBDLO COc1cc(C[N@H+](C)Cc2c[nH]nc2C)ccc1[N+](=O)[O-] ZINC000602944607 347253762 /nfs/dbraw/zinc/25/37/62/347253762.db2.gz UYWZUAOTIDJBIF-UHFFFAOYSA-N 1 2 290.323 2.267 20 5 CEBDLO COc1cc(C[N@@H+](C)Cc2c[nH]nc2C)ccc1[N+](=O)[O-] ZINC000602944607 347253765 /nfs/dbraw/zinc/25/37/65/347253765.db2.gz UYWZUAOTIDJBIF-UHFFFAOYSA-N 1 2 290.323 2.267 20 5 CEBDLO C[C@@H]1[C@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C(=O)N1C ZINC000602848378 347223166 /nfs/dbraw/zinc/22/31/66/347223166.db2.gz MMZLEEFFRMXHDM-WOPDTQHZSA-N 1 2 291.351 2.034 20 5 CEBDLO C[C@@H]1[C@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C(=O)N1C ZINC000602848378 347223170 /nfs/dbraw/zinc/22/31/70/347223170.db2.gz MMZLEEFFRMXHDM-WOPDTQHZSA-N 1 2 291.351 2.034 20 5 CEBDLO O=[N+]([O-])c1ncccc1N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000610575912 347692614 /nfs/dbraw/zinc/69/26/14/347692614.db2.gz DQWRNPPPDALMJS-UHFFFAOYSA-N 1 2 273.296 2.097 20 5 CEBDLO O=[N+]([O-])c1ncccc1N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000610575912 347692617 /nfs/dbraw/zinc/69/26/17/347692617.db2.gz DQWRNPPPDALMJS-UHFFFAOYSA-N 1 2 273.296 2.097 20 5 CEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2CCC[C@H]21 ZINC000610585513 347694236 /nfs/dbraw/zinc/69/42/36/347694236.db2.gz RNERTACHLQEUSD-NTZNESFSSA-N 1 2 289.335 2.406 20 5 CEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CCC[C@H]21 ZINC000610585513 347694238 /nfs/dbraw/zinc/69/42/38/347694238.db2.gz RNERTACHLQEUSD-NTZNESFSSA-N 1 2 289.335 2.406 20 5 CEBDLO CCCNC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130328595 365946284 /nfs/dbraw/zinc/94/62/84/365946284.db2.gz QZGAPSJTQPMKSY-UHFFFAOYSA-N 1 2 291.351 2.085 20 5 CEBDLO CCCNC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130328595 365946287 /nfs/dbraw/zinc/94/62/87/365946287.db2.gz QZGAPSJTQPMKSY-UHFFFAOYSA-N 1 2 291.351 2.085 20 5 CEBDLO CCOc1cc(C[N@H+](C)Cc2cn[nH]c2)ccc1[N+](=O)[O-] ZINC000617214908 348651771 /nfs/dbraw/zinc/65/17/71/348651771.db2.gz UKTVBIGJYWTUOB-UHFFFAOYSA-N 1 2 290.323 2.349 20 5 CEBDLO CCOc1cc(C[N@@H+](C)Cc2cn[nH]c2)ccc1[N+](=O)[O-] ZINC000617214908 348651774 /nfs/dbraw/zinc/65/17/74/348651774.db2.gz UKTVBIGJYWTUOB-UHFFFAOYSA-N 1 2 290.323 2.349 20 5 CEBDLO C[C@@H]1C[C@@H](Nc2ncccc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000450835344 282793722 /nfs/dbraw/zinc/79/37/22/282793722.db2.gz WXHCEWGCQSYUFP-RKDXNWHRSA-N 1 2 259.269 2.304 20 5 CEBDLO CCC[C@H](C)[C@@H](CO)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000570336075 314034566 /nfs/dbraw/zinc/03/45/66/314034566.db2.gz SFDWCIZYCMGHNW-GXFFZTMASA-N 1 2 282.340 2.187 20 5 CEBDLO C[C@H](NC(=O)CCn1cc[nH+]c1)c1ccccc1[N+](=O)[O-] ZINC000271792506 191330989 /nfs/dbraw/zinc/33/09/89/191330989.db2.gz KKEXGQLILZWSND-NSHDSACASA-N 1 2 288.307 2.059 20 5 CEBDLO Cc1nonc1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000271834993 191358101 /nfs/dbraw/zinc/35/81/01/191358101.db2.gz XUXDLLZXPWTORF-VIFPVBQESA-N 1 2 276.296 2.445 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC3(C2)OCCO3)cc1F ZINC000133742768 366252391 /nfs/dbraw/zinc/25/23/91/366252391.db2.gz LKWFYWBSFOSQLY-UHFFFAOYSA-N 1 2 296.298 2.073 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCCC3(C2)OCCO3)cc1F ZINC000133742768 366252397 /nfs/dbraw/zinc/25/23/97/366252397.db2.gz LKWFYWBSFOSQLY-UHFFFAOYSA-N 1 2 296.298 2.073 20 5 CEBDLO CCCn1ncnc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296864629 200019503 /nfs/dbraw/zinc/01/95/03/200019503.db2.gz ZCGRKLDONZKLTJ-NSHDSACASA-N 1 2 289.339 2.447 20 5 CEBDLO O=[N+]([O-])c1cnn(CC[N@H+](CC(F)F)CC2CCC2)c1 ZINC000341752311 216090071 /nfs/dbraw/zinc/09/00/71/216090071.db2.gz WHMCPCFYSGVGRD-UHFFFAOYSA-N 1 2 288.298 2.159 20 5 CEBDLO O=[N+]([O-])c1cnn(CC[N@@H+](CC(F)F)CC2CCC2)c1 ZINC000341752311 216090073 /nfs/dbraw/zinc/09/00/73/216090073.db2.gz WHMCPCFYSGVGRD-UHFFFAOYSA-N 1 2 288.298 2.159 20 5 CEBDLO O=[N+]([O-])c1cccnc1N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000301657852 201120844 /nfs/dbraw/zinc/12/08/44/201120844.db2.gz VZYHCBREIMSIDC-LBPRGKRZSA-N 1 2 286.291 2.043 20 5 CEBDLO CN(Cc1[nH+]ccn1C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774790 364295158 /nfs/dbraw/zinc/29/51/58/364295158.db2.gz VCJZJEYOSHUSHA-UHFFFAOYSA-N 1 2 278.287 2.099 20 5 CEBDLO COC(=O)C1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000103464883 364655968 /nfs/dbraw/zinc/65/59/68/364655968.db2.gz BYHNRMGSOIVNBK-UHFFFAOYSA-N 1 2 296.298 2.119 20 5 CEBDLO CC[C@H]1COCC[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000115575266 365016631 /nfs/dbraw/zinc/01/66/31/365016631.db2.gz UVXNZFLXNJUBFU-LBPRGKRZSA-N 1 2 280.324 2.214 20 5 CEBDLO CC[C@H]1COCC[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000115575266 365016635 /nfs/dbraw/zinc/01/66/35/365016635.db2.gz UVXNZFLXNJUBFU-LBPRGKRZSA-N 1 2 280.324 2.214 20 5 CEBDLO C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc(F)cc1F ZINC000341071020 367157933 /nfs/dbraw/zinc/15/79/33/367157933.db2.gz JDMPPKSCTPDYIY-QMMMGPOBSA-N 1 2 296.277 2.457 20 5 CEBDLO CC(C)[NH+]1CC(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000341371752 367308101 /nfs/dbraw/zinc/30/81/01/367308101.db2.gz LLHYCPHPPAIBHE-UHFFFAOYSA-N 1 2 297.742 2.071 20 5 CEBDLO Cc1cc(N(C)CCc2ccccc2[N+](=O)[O-])nc[nH+]1 ZINC000343221724 367712466 /nfs/dbraw/zinc/71/24/66/367712466.db2.gz CRYAGERNYQBEBG-UHFFFAOYSA-N 1 2 272.308 2.372 20 5 CEBDLO Cc1ccc(C[N@@H+]2CCCC3(C2)OCCO3)cc1[N+](=O)[O-] ZINC000182079980 368521900 /nfs/dbraw/zinc/52/19/00/368521900.db2.gz DECVQDYQAIXATH-UHFFFAOYSA-N 1 2 292.335 2.242 20 5 CEBDLO Cc1ccc(C[N@H+]2CCCC3(C2)OCCO3)cc1[N+](=O)[O-] ZINC000182079980 368521905 /nfs/dbraw/zinc/52/19/05/368521905.db2.gz DECVQDYQAIXATH-UHFFFAOYSA-N 1 2 292.335 2.242 20 5 CEBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@](F)(CO)C1 ZINC000347331134 368806014 /nfs/dbraw/zinc/80/60/14/368806014.db2.gz GBWDLRQMIBOKAX-BXUZGUMPSA-N 1 2 282.315 2.452 20 5 CEBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@](F)(CO)C1 ZINC000347331134 368806020 /nfs/dbraw/zinc/80/60/20/368806020.db2.gz GBWDLRQMIBOKAX-BXUZGUMPSA-N 1 2 282.315 2.452 20 5 CEBDLO Cc1ccc(C[N@H+](C)C[C@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000349421678 369324674 /nfs/dbraw/zinc/32/46/74/369324674.db2.gz SVDNHFSTKBHJFM-NSHDSACASA-N 1 2 292.257 2.258 20 5 CEBDLO Cc1ccc(C[N@@H+](C)C[C@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000349421678 369324677 /nfs/dbraw/zinc/32/46/77/369324677.db2.gz SVDNHFSTKBHJFM-NSHDSACASA-N 1 2 292.257 2.258 20 5 CEBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1[nH]cc[nH+]1 ZINC000353921113 370136010 /nfs/dbraw/zinc/13/60/10/370136010.db2.gz HVDWVYBSTWGERK-UHFFFAOYSA-N 1 2 289.295 2.202 20 5 CEBDLO Cc1ccc(Cn2ccc(C)c([N+](=O)[O-])c2=O)c(C)[nH+]1 ZINC000358784762 371219094 /nfs/dbraw/zinc/21/90/94/371219094.db2.gz KVFQARLULWYGBO-UHFFFAOYSA-N 1 2 273.292 2.125 20 5 CEBDLO C[C@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000255078304 371555595 /nfs/dbraw/zinc/55/55/95/371555595.db2.gz STTHPQWVCREPQY-RNZFLTOJSA-N 1 2 262.309 2.329 20 5 CEBDLO C[C@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000255078304 371555598 /nfs/dbraw/zinc/55/55/98/371555598.db2.gz STTHPQWVCREPQY-RNZFLTOJSA-N 1 2 262.309 2.329 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)c1nncn1C ZINC000268944643 372297807 /nfs/dbraw/zinc/29/78/07/372297807.db2.gz WEQDQKOAWXQOQE-QWRGUYRKSA-N 1 2 289.339 2.444 20 5 CEBDLO C[N@@H+](Cc1csc([N+](=O)[O-])c1)C[C@H](O)C(F)(F)F ZINC000305780337 376488764 /nfs/dbraw/zinc/48/87/64/376488764.db2.gz SUFZLWUHJHBLFW-ZETCQYMHSA-N 1 2 284.259 2.011 20 5 CEBDLO C[N@H+](Cc1csc([N+](=O)[O-])c1)C[C@H](O)C(F)(F)F ZINC000305780337 376488769 /nfs/dbraw/zinc/48/87/69/376488769.db2.gz SUFZLWUHJHBLFW-ZETCQYMHSA-N 1 2 284.259 2.011 20 5 CEBDLO Cn1c[nH+]c(CCNc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000313464260 249396756 /nfs/dbraw/zinc/39/67/56/249396756.db2.gz UUJZYUMIXSVSHH-UHFFFAOYSA-N 1 2 264.260 2.122 20 5 CEBDLO Cn1cc[nH+]c1[C@H]1N(c2ccc([N+](=O)[O-])cn2)CC1(C)C ZINC000296280094 378477393 /nfs/dbraw/zinc/47/73/93/378477393.db2.gz KYLXNUPSIFVHRG-GFCCVEGCSA-N 1 2 287.323 2.311 20 5 CEBDLO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])nc2)c2[nH+]ccn21 ZINC000450821455 378594725 /nfs/dbraw/zinc/59/47/25/378594725.db2.gz RDHVUIJKNWRDOB-SCZZXKLOSA-N 1 2 259.269 2.304 20 5 CEBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCn2cnnc2C1 ZINC000347354920 218203120 /nfs/dbraw/zinc/20/31/20/218203120.db2.gz JGJISPPSZLAPNL-KPKJPENVSA-N 1 2 299.334 2.105 20 5 CEBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCn2cnnc2C1 ZINC000347354920 218203122 /nfs/dbraw/zinc/20/31/22/218203122.db2.gz JGJISPPSZLAPNL-KPKJPENVSA-N 1 2 299.334 2.105 20 5 CEBDLO CCOC(=O)C[N@H+](C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000347370330 218210896 /nfs/dbraw/zinc/21/08/96/218210896.db2.gz VEEVQKVCFZUHLO-XYOKQWHBSA-N 1 2 292.335 2.493 20 5 CEBDLO CCOC(=O)C[N@@H+](C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000347370330 218210898 /nfs/dbraw/zinc/21/08/98/218210898.db2.gz VEEVQKVCFZUHLO-XYOKQWHBSA-N 1 2 292.335 2.493 20 5 CEBDLO Cc1cc(NCc2cn3c([nH+]2)CCCC3)ncc1[N+](=O)[O-] ZINC000266845478 190283982 /nfs/dbraw/zinc/28/39/82/190283982.db2.gz ONOVNYSRNMXKOE-UHFFFAOYSA-N 1 2 287.323 2.443 20 5 CEBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCCOCC1 ZINC000369369420 285088934 /nfs/dbraw/zinc/08/89/34/285088934.db2.gz GRKDHFCIZGUECU-UHFFFAOYSA-N 1 2 270.716 2.471 20 5 CEBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCCOCC1 ZINC000369369420 285088938 /nfs/dbraw/zinc/08/89/38/285088938.db2.gz GRKDHFCIZGUECU-UHFFFAOYSA-N 1 2 270.716 2.471 20 5 CEBDLO C[N@H+](CCc1ccncc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000350396993 219014750 /nfs/dbraw/zinc/01/47/50/219014750.db2.gz YFXRPSCSHYLUCC-UHFFFAOYSA-N 1 2 287.319 2.370 20 5 CEBDLO C[N@@H+](CCc1ccncc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000350396993 219014752 /nfs/dbraw/zinc/01/47/52/219014752.db2.gz YFXRPSCSHYLUCC-UHFFFAOYSA-N 1 2 287.319 2.370 20 5 CEBDLO CN(C)C(=O)CCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413059867 394477458 /nfs/dbraw/zinc/47/74/58/394477458.db2.gz HSSQBWCGGLCTPB-UHFFFAOYSA-N 1 2 288.307 2.033 20 5 CEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NC[C@H](O)C3CC3)c2c1 ZINC000413121026 394486285 /nfs/dbraw/zinc/48/62/85/394486285.db2.gz TWXKSUPMMIHIFE-ZDUSSCGKSA-N 1 2 273.292 2.326 20 5 CEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N[C@H]3[C@@H]4COC[C@@H]43)c2c1 ZINC000413272877 394517082 /nfs/dbraw/zinc/51/70/82/394517082.db2.gz UUNJFJGUZBWBQK-ITGUQSILSA-N 1 2 271.276 2.200 20 5 CEBDLO Cc1cc([N+](=O)[O-])cnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000263951812 394632629 /nfs/dbraw/zinc/63/26/29/394632629.db2.gz DTFLZTDJASMKKR-UHFFFAOYSA-N 1 2 299.334 2.020 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](C)N(C)C[C@@H]1C ZINC000361163639 394819033 /nfs/dbraw/zinc/81/90/33/394819033.db2.gz BMGVPXNSLYUTJE-OLZOCXBDSA-N 1 2 277.368 2.428 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C)N(C)C[C@@H]1C ZINC000361163639 394819038 /nfs/dbraw/zinc/81/90/38/394819038.db2.gz BMGVPXNSLYUTJE-OLZOCXBDSA-N 1 2 277.368 2.428 20 5 CEBDLO CCC(CC)(CCO)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000337854060 394901806 /nfs/dbraw/zinc/90/18/06/394901806.db2.gz KJVBWEHBSFOLKJ-UHFFFAOYSA-N 1 2 282.340 2.331 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@H](C)C1 ZINC000183247377 395254126 /nfs/dbraw/zinc/25/41/26/395254126.db2.gz QMBRIDVWZAYFTP-LLVKDONJSA-N 1 2 250.298 2.124 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@H](C)C1 ZINC000183247377 395254132 /nfs/dbraw/zinc/25/41/32/395254132.db2.gz QMBRIDVWZAYFTP-LLVKDONJSA-N 1 2 250.298 2.124 20 5 CEBDLO Cc1c(NC(=O)C[NH+]2CC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000519780472 395224106 /nfs/dbraw/zinc/22/41/06/395224106.db2.gz RSXHDFJDXFTHKV-UHFFFAOYSA-N 1 2 277.324 2.184 20 5 CEBDLO Cc1cc(N(C)Cc2ccc(N)[nH+]c2)c(F)cc1[N+](=O)[O-] ZINC000360048205 155202396 /nfs/dbraw/zinc/20/23/96/155202396.db2.gz RULAWSCHFQDREW-UHFFFAOYSA-N 1 2 290.298 2.486 20 5 CEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000367216055 156151276 /nfs/dbraw/zinc/15/12/76/156151276.db2.gz RRWGBNPWOYLFLQ-GFCCVEGCSA-N 1 2 287.323 2.060 20 5 CEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000367216055 156151280 /nfs/dbraw/zinc/15/12/80/156151280.db2.gz RRWGBNPWOYLFLQ-GFCCVEGCSA-N 1 2 287.323 2.060 20 5 CEBDLO Cc1nnc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])s1 ZINC000285438419 196285025 /nfs/dbraw/zinc/28/50/25/196285025.db2.gz XJXLGUVJIRCTRC-UHFFFAOYSA-N 1 2 292.364 2.429 20 5 CEBDLO Cc1nnc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])s1 ZINC000285438419 196285026 /nfs/dbraw/zinc/28/50/26/196285026.db2.gz XJXLGUVJIRCTRC-UHFFFAOYSA-N 1 2 292.364 2.429 20 5 CEBDLO Cc1nn(Cc2cn3cccc(C)c3[nH+]2)cc1[N+](=O)[O-] ZINC000354912921 227227719 /nfs/dbraw/zinc/22/77/19/227227719.db2.gz BGOFEJQNKVSQCR-UHFFFAOYSA-N 1 2 271.280 2.104 20 5 CEBDLO Cc1ccc(-c2noc(CCn3cc[nH+]c3)n2)cc1[N+](=O)[O-] ZINC000355980896 266052692 /nfs/dbraw/zinc/05/26/92/266052692.db2.gz LHEZMOLSWMOMHL-UHFFFAOYSA-N 1 2 299.290 2.392 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCc2nn[nH]c2C1 ZINC000429303507 271322321 /nfs/dbraw/zinc/32/23/21/271322321.db2.gz WMDNMPDNNLJYQQ-JTQLQIEISA-N 1 2 287.323 2.141 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCc2nn[nH]c2C1 ZINC000429303507 271322324 /nfs/dbraw/zinc/32/23/24/271322324.db2.gz WMDNMPDNNLJYQQ-JTQLQIEISA-N 1 2 287.323 2.141 20 5 CEBDLO Cc1cnn(C)c1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000347792077 279031403 /nfs/dbraw/zinc/03/14/03/279031403.db2.gz WGXNFJQAOIOCCO-UHFFFAOYSA-N 1 2 286.335 2.195 20 5 CEBDLO Cc1cnn(C)c1C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000347792077 279031405 /nfs/dbraw/zinc/03/14/05/279031405.db2.gz WGXNFJQAOIOCCO-UHFFFAOYSA-N 1 2 286.335 2.195 20 5 CEBDLO Cc1cn2c([nH+]1)CN(c1ccc([N+](=O)[O-])c(C)c1)CC2 ZINC000359898406 281546239 /nfs/dbraw/zinc/54/62/39/281546239.db2.gz LLQHXWHBUPRYKW-UHFFFAOYSA-N 1 2 272.308 2.428 20 5 CEBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000274421013 290267094 /nfs/dbraw/zinc/26/70/94/290267094.db2.gz OETQTRJQNRXPOP-IUODEOHRSA-N 1 2 292.335 2.147 20 5 CEBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000274421013 290267099 /nfs/dbraw/zinc/26/70/99/290267099.db2.gz OETQTRJQNRXPOP-IUODEOHRSA-N 1 2 292.335 2.147 20 5 CEBDLO Cc1cc(NC(=O)c2csc([N+](=O)[O-])c2)c(C)c[nH+]1 ZINC000535748275 313396563 /nfs/dbraw/zinc/39/65/63/313396563.db2.gz ATHLYQBOQXXLFY-UHFFFAOYSA-N 1 2 277.305 2.342 20 5 CEBDLO CCOC(=O)C[N@@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000050508261 520748178 /nfs/dbraw/zinc/74/81/78/520748178.db2.gz WKXIUGODEOXZBZ-JTQLQIEISA-N 1 2 266.297 2.151 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000412077726 534348578 /nfs/dbraw/zinc/34/85/78/534348578.db2.gz JNWGFDLHUWQHRS-ZOWXZIJZSA-N 1 2 294.351 2.046 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000412077726 534348583 /nfs/dbraw/zinc/34/85/83/534348583.db2.gz JNWGFDLHUWQHRS-ZOWXZIJZSA-N 1 2 294.351 2.046 20 5 CEBDLO CCOC(=O)C[N@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000050508261 520748168 /nfs/dbraw/zinc/74/81/68/520748168.db2.gz WKXIUGODEOXZBZ-JTQLQIEISA-N 1 2 266.297 2.151 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@@H](C)[C@H]1C ZINC000156493539 525457253 /nfs/dbraw/zinc/45/72/53/525457253.db2.gz SHICXUWCSXIWAH-MNOVXSKESA-N 1 2 280.324 2.213 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@@H](C)[C@H]1C ZINC000156493539 525457255 /nfs/dbraw/zinc/45/72/55/525457255.db2.gz SHICXUWCSXIWAH-MNOVXSKESA-N 1 2 280.324 2.213 20 5 CEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]1c1ccco1 ZINC000365660928 527490151 /nfs/dbraw/zinc/49/01/51/527490151.db2.gz OODTZXANAGBKHJ-JTQLQIEISA-N 1 2 276.296 2.258 20 5 CEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H]1c1ccco1 ZINC000365660928 527490154 /nfs/dbraw/zinc/49/01/54/527490154.db2.gz OODTZXANAGBKHJ-JTQLQIEISA-N 1 2 276.296 2.258 20 5 CEBDLO COC(=O)/C(C)=C\C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000748816868 575197359 /nfs/dbraw/zinc/19/73/59/575197359.db2.gz VVPBHWDQNXZHRL-FLIBITNWSA-N 1 2 278.308 2.146 20 5 CEBDLO COC(=O)/C(C)=C\C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000748816868 575197362 /nfs/dbraw/zinc/19/73/62/575197362.db2.gz VVPBHWDQNXZHRL-FLIBITNWSA-N 1 2 278.308 2.146 20 5 CEBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@H]1C1OCCO1 ZINC000933896782 624073151 /nfs/dbraw/zinc/07/31/51/624073151.db2.gz OXBTXPSUVDBOMI-LBPRGKRZSA-N 1 2 296.298 2.071 20 5 CEBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@H]1C1OCCO1 ZINC000933896782 624073158 /nfs/dbraw/zinc/07/31/58/624073158.db2.gz OXBTXPSUVDBOMI-LBPRGKRZSA-N 1 2 296.298 2.071 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(C(=O)OCc2c[nH+]cn2C)c1C ZINC000892780187 627768160 /nfs/dbraw/zinc/76/81/60/627768160.db2.gz QSRQUBMJJNGULI-UHFFFAOYSA-N 1 2 289.291 2.302 20 5 CEBDLO C[C@@H](Cn1cc[nH+]c1)Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804349025 631668290 /nfs/dbraw/zinc/66/82/90/631668290.db2.gz VCBVOSWMKAWSOQ-VIFPVBQESA-N 1 2 291.267 2.200 20 5 CEBDLO CC(=O)c1ccc([N+](=O)[O-])cc1NCc1c[nH+]cn1C ZINC000811846318 632455820 /nfs/dbraw/zinc/45/58/20/632455820.db2.gz QJRYEQVGQWDION-UHFFFAOYSA-N 1 2 274.280 2.143 20 5 CEBDLO Cc1cc(Cc2noc([C@@H](C)[NH+](C)C)n2)ccc1[N+](=O)[O-] ZINC000923946348 633045207 /nfs/dbraw/zinc/04/52/07/633045207.db2.gz OPXUOVUDXSFKGN-SNVBAGLBSA-N 1 2 290.323 2.500 20 5 CEBDLO CCn1nc(C)c(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000818116708 633872705 /nfs/dbraw/zinc/87/27/05/633872705.db2.gz OXHPKPGUSIJRNI-JTQLQIEISA-N 1 2 289.339 2.365 20 5 CEBDLO CCCn1cc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)nn1 ZINC000902853946 634867564 /nfs/dbraw/zinc/86/75/64/634867564.db2.gz VVPGMTYQAJFWJM-LLVKDONJSA-N 1 2 289.339 2.447 20 5 CEBDLO CC[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000844390617 640704769 /nfs/dbraw/zinc/70/47/69/640704769.db2.gz IYLOPICQNDGWHB-DFBGVHRSSA-N 1 2 294.351 2.128 20 5 CEBDLO CC[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000844390617 640704773 /nfs/dbraw/zinc/70/47/73/640704773.db2.gz IYLOPICQNDGWHB-DFBGVHRSSA-N 1 2 294.351 2.128 20 5 CEBDLO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1ccon1 ZINC000848531657 642037896 /nfs/dbraw/zinc/03/78/96/642037896.db2.gz QSDORMSUOIYTNC-GFCCVEGCSA-N 1 2 259.265 2.360 20 5 CEBDLO CC[N@H+](C)[C@@H](C(=O)OCC(C)(C)[N+](=O)[O-])c1ccccc1 ZINC000851127517 642928279 /nfs/dbraw/zinc/92/82/79/642928279.db2.gz OIPXPOQREZUCST-CYBMUJFWSA-N 1 2 294.351 2.278 20 5 CEBDLO CC[N@@H+](C)[C@@H](C(=O)OCC(C)(C)[N+](=O)[O-])c1ccccc1 ZINC000851127517 642928284 /nfs/dbraw/zinc/92/82/84/642928284.db2.gz OIPXPOQREZUCST-CYBMUJFWSA-N 1 2 294.351 2.278 20 5 CEBDLO CC[C@@H]1COCC[N@@H+]1CCNc1cccc(F)c1[N+](=O)[O-] ZINC000872771383 649481497 /nfs/dbraw/zinc/48/14/97/649481497.db2.gz HUZQGWHRHMELHI-LLVKDONJSA-N 1 2 297.330 2.257 20 5 CEBDLO CC[C@@H]1COCC[N@H+]1CCNc1cccc(F)c1[N+](=O)[O-] ZINC000872771383 649481498 /nfs/dbraw/zinc/48/14/98/649481498.db2.gz HUZQGWHRHMELHI-LLVKDONJSA-N 1 2 297.330 2.257 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1O[C@@H]1CC[NH2+]CC1(F)F ZINC001218004517 803531469 /nfs/dbraw/zinc/53/14/69/803531469.db2.gz ACIIALQRVXRWAZ-LLVKDONJSA-N 1 2 272.251 2.279 20 5 CEBDLO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CC[N+](=O)[O-] ZINC001119772525 815158388 /nfs/dbraw/zinc/15/83/88/815158388.db2.gz BGPMCNZAPHHULL-LBPRGKRZSA-N 1 2 272.732 2.236 20 5 CEBDLO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CC[N+](=O)[O-] ZINC001119772525 815158390 /nfs/dbraw/zinc/15/83/90/815158390.db2.gz BGPMCNZAPHHULL-LBPRGKRZSA-N 1 2 272.732 2.236 20 5 CEBDLO O=C1CC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172912883 815559105 /nfs/dbraw/zinc/55/91/05/815559105.db2.gz CETGDMXSEAGKCY-CYBMUJFWSA-N 1 2 274.320 2.117 20 5 CEBDLO O=C1CC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172912883 815559108 /nfs/dbraw/zinc/55/91/08/815559108.db2.gz CETGDMXSEAGKCY-CYBMUJFWSA-N 1 2 274.320 2.117 20 5 CEBDLO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)n1cc[nH+]c1 ZINC001124340533 815609883 /nfs/dbraw/zinc/60/98/83/815609883.db2.gz FEJLBJQRDVAPTR-JTQLQIEISA-N 1 2 274.280 2.381 20 5 CEBDLO C[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H](C)CCO1 ZINC001176971965 816503793 /nfs/dbraw/zinc/50/37/93/816503793.db2.gz WKZJHFAKJVLUIM-GHMZBOCLSA-N 1 2 280.324 2.300 20 5 CEBDLO C[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H](C)CCO1 ZINC001176971965 816503799 /nfs/dbraw/zinc/50/37/99/816503799.db2.gz WKZJHFAKJVLUIM-GHMZBOCLSA-N 1 2 280.324 2.300 20 5 CEBDLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000124766141 187152281 /nfs/dbraw/zinc/15/22/81/187152281.db2.gz OLVZHMCFJUYAAO-LBPRGKRZSA-N 1 2 278.308 2.041 20 5 CEBDLO COC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000124766141 187152282 /nfs/dbraw/zinc/15/22/82/187152282.db2.gz OLVZHMCFJUYAAO-LBPRGKRZSA-N 1 2 278.308 2.041 20 5 CEBDLO Cc1n[nH]c(C)c1C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000126973185 365728868 /nfs/dbraw/zinc/72/88/68/365728868.db2.gz BAAJHBKKLFSKLY-UHFFFAOYSA-N 1 2 286.335 2.493 20 5 CEBDLO Cc1n[nH]c(C)c1C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000126973185 365728871 /nfs/dbraw/zinc/72/88/71/365728871.db2.gz BAAJHBKKLFSKLY-UHFFFAOYSA-N 1 2 286.335 2.493 20 5 CEBDLO CCn1cc[nH+]c1CNc1cccc(OC)c1[N+](=O)[O-] ZINC000294983096 199283845 /nfs/dbraw/zinc/28/38/45/199283845.db2.gz MFVFKYZPWIGUDK-UHFFFAOYSA-N 1 2 276.296 2.432 20 5 CEBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000045784316 343488089 /nfs/dbraw/zinc/48/80/89/343488089.db2.gz WWOGTUIPPALIQD-MNOVXSKESA-N 1 2 250.298 2.204 20 5 CEBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000045784316 343488093 /nfs/dbraw/zinc/48/80/93/343488093.db2.gz WWOGTUIPPALIQD-MNOVXSKESA-N 1 2 250.298 2.204 20 5 CEBDLO O=C(NCCCCn1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000060407949 343658225 /nfs/dbraw/zinc/65/82/25/343658225.db2.gz DVJJBMJIRSAVEI-UHFFFAOYSA-N 1 2 288.307 2.002 20 5 CEBDLO Cn1cc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])n1 ZINC000602431741 347030241 /nfs/dbraw/zinc/03/02/41/347030241.db2.gz DRKAREJFTNDEGR-SECBINFHSA-N 1 2 292.261 2.103 20 5 CEBDLO Cn1cc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])n1 ZINC000602431741 347030243 /nfs/dbraw/zinc/03/02/43/347030243.db2.gz DRKAREJFTNDEGR-SECBINFHSA-N 1 2 292.261 2.103 20 5 CEBDLO Cc1cccc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000141103848 344400410 /nfs/dbraw/zinc/40/04/10/344400410.db2.gz VYAUNZGKUNDATG-SECBINFHSA-N 1 2 274.280 2.117 20 5 CEBDLO C[C@@H](NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000235183849 344589676 /nfs/dbraw/zinc/58/96/76/344589676.db2.gz CLPIQFUZFJXLHS-NXEZZACHSA-N 1 2 288.307 2.299 20 5 CEBDLO Cc1c(C[N@@H+]2CCO[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000051160444 362426714 /nfs/dbraw/zinc/42/67/14/362426714.db2.gz FBMSKYNKFRDTQI-SNVBAGLBSA-N 1 2 250.298 2.124 20 5 CEBDLO Cc1c(C[N@H+]2CCO[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000051160444 362426718 /nfs/dbraw/zinc/42/67/18/362426718.db2.gz FBMSKYNKFRDTQI-SNVBAGLBSA-N 1 2 250.298 2.124 20 5 CEBDLO CCn1cc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)nn1 ZINC000404473186 344880841 /nfs/dbraw/zinc/88/08/41/344880841.db2.gz NLMJWSLRHSJSOG-LLVKDONJSA-N 1 2 289.339 2.365 20 5 CEBDLO C[C@H]1C[C@H](Nc2cccnc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000590723737 345168440 /nfs/dbraw/zinc/16/84/40/345168440.db2.gz TUOYYZZAYMGSDE-WPRPVWTQSA-N 1 2 259.269 2.304 20 5 CEBDLO CC1(C)CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@H]1O ZINC000591159724 345226434 /nfs/dbraw/zinc/22/64/34/345226434.db2.gz ZLCLCVNFNDLYBV-CYBMUJFWSA-N 1 2 287.319 2.350 20 5 CEBDLO C[C@@H](CO)C1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000593084052 345435360 /nfs/dbraw/zinc/43/53/60/345435360.db2.gz PKPDSVAZXVNURN-NSHDSACASA-N 1 2 294.351 2.141 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000594215481 345598955 /nfs/dbraw/zinc/59/89/55/345598955.db2.gz QITOXBXCCQYJPQ-LLVKDONJSA-N 1 2 277.324 2.182 20 5 CEBDLO C[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)c2ncnn21 ZINC000594956147 345715850 /nfs/dbraw/zinc/71/58/50/345715850.db2.gz FXLKHLAUZUBBLC-CBAPKCEASA-N 1 2 279.325 2.043 20 5 CEBDLO C[C@@H]1C[NH+](Cc2ccccc2[N+](=O)[O-])C[C@@H](C)C1=O ZINC000595715108 345858626 /nfs/dbraw/zinc/85/86/26/345858626.db2.gz QXDMDFOLXDVEBY-GHMZBOCLSA-N 1 2 262.309 2.252 20 5 CEBDLO C[N@H+](CC1=CCSC1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000595888780 345906658 /nfs/dbraw/zinc/90/66/58/345906658.db2.gz ONJAABVMCWRIQF-UHFFFAOYSA-N 1 2 280.349 2.405 20 5 CEBDLO C[N@@H+](CC1=CCSC1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000595888780 345906664 /nfs/dbraw/zinc/90/66/64/345906664.db2.gz ONJAABVMCWRIQF-UHFFFAOYSA-N 1 2 280.349 2.405 20 5 CEBDLO CN(Cc1[nH+]ccn1C)c1c(Cl)cncc1[N+](=O)[O-] ZINC000596064489 345930852 /nfs/dbraw/zinc/93/08/52/345930852.db2.gz XFKHMHHKRGWISV-UHFFFAOYSA-N 1 2 281.703 2.013 20 5 CEBDLO Cc1cc(N[C@@H](C)C[NH+]2CCOCC2)c([N+](=O)[O-])s1 ZINC000596076346 345934287 /nfs/dbraw/zinc/93/42/87/345934287.db2.gz PSUCYUWHAKPGBE-VIFPVBQESA-N 1 2 285.369 2.097 20 5 CEBDLO O=[N+]([O-])c1cccc(F)c1N1CCc2[nH+]c[nH]c2C1 ZINC000596237822 345976935 /nfs/dbraw/zinc/97/69/35/345976935.db2.gz ZVWINDWGDKDVJX-UHFFFAOYSA-N 1 2 262.244 2.020 20 5 CEBDLO C[C@@H]1C[N@H+](CCNc2c(F)cccc2[N+](=O)[O-])[C@H](C)CO1 ZINC000596430323 346021504 /nfs/dbraw/zinc/02/15/04/346021504.db2.gz LRRGHTXIBLAEKO-GHMZBOCLSA-N 1 2 297.330 2.255 20 5 CEBDLO C[C@@H]1C[N@@H+](CCNc2c(F)cccc2[N+](=O)[O-])[C@H](C)CO1 ZINC000596430323 346021507 /nfs/dbraw/zinc/02/15/07/346021507.db2.gz LRRGHTXIBLAEKO-GHMZBOCLSA-N 1 2 297.330 2.255 20 5 CEBDLO Cc1cc(N(C)Cc2c[nH+]c[nH]2)c([N+](=O)[O-])s1 ZINC000596313801 345997326 /nfs/dbraw/zinc/99/73/26/345997326.db2.gz UGEZYJWEMFUQIT-UHFFFAOYSA-N 1 2 252.299 2.324 20 5 CEBDLO Cc1cc(N(C)Cc2c[nH]c[nH+]2)c([N+](=O)[O-])s1 ZINC000596313801 345997329 /nfs/dbraw/zinc/99/73/29/345997329.db2.gz UGEZYJWEMFUQIT-UHFFFAOYSA-N 1 2 252.299 2.324 20 5 CEBDLO C[C@H](Nc1ncc([N+](=O)[O-])cc1F)c1[nH+]ccn1C ZINC000596540106 346049783 /nfs/dbraw/zinc/04/97/83/346049783.db2.gz DHXTUVQZCSLBPD-ZETCQYMHSA-N 1 2 265.248 2.036 20 5 CEBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC[C@H](CO)C1 ZINC000599016487 346447052 /nfs/dbraw/zinc/44/70/52/346447052.db2.gz QDZMZTRPOSCLMH-NSHDSACASA-N 1 2 287.319 2.352 20 5 CEBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CC[C@@](F)(CO)C1 ZINC000599073064 346455659 /nfs/dbraw/zinc/45/56/59/346455659.db2.gz CZJQBNUILIFDNJ-AWEZNQCLSA-N 1 2 291.282 2.054 20 5 CEBDLO CCOC[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2C)CCO1 ZINC000599616586 346546374 /nfs/dbraw/zinc/54/63/74/346546374.db2.gz DJEQZRSFTOHJGO-CQSZACIVSA-N 1 2 294.351 2.141 20 5 CEBDLO CCOC[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)CCO1 ZINC000599616586 346546376 /nfs/dbraw/zinc/54/63/76/346546376.db2.gz DJEQZRSFTOHJGO-CQSZACIVSA-N 1 2 294.351 2.141 20 5 CEBDLO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCO[C@H](CCF)C2)cc1 ZINC000599644244 346552670 /nfs/dbraw/zinc/55/26/70/346552670.db2.gz XPIAMVILTDTBEF-CQSZACIVSA-N 1 2 298.314 2.034 20 5 CEBDLO O=[N+]([O-])c1ccc(OCC[N@H+]2CCO[C@H](CCF)C2)cc1 ZINC000599644244 346552672 /nfs/dbraw/zinc/55/26/72/346552672.db2.gz XPIAMVILTDTBEF-CQSZACIVSA-N 1 2 298.314 2.034 20 5 CEBDLO CCn1nc(C)c([N+](=O)[O-])c1NCC(C)(C)n1cc[nH+]c1 ZINC000601197987 346784142 /nfs/dbraw/zinc/78/41/42/346784142.db2.gz KOEIZZNAZXBYLK-UHFFFAOYSA-N 1 2 292.343 2.163 20 5 CEBDLO CC[N@H+]1[C@H](C)CN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@@H]1C ZINC000603142712 347296718 /nfs/dbraw/zinc/29/67/18/347296718.db2.gz NNSXKEFCLXVMTI-AOOOYVTPSA-N 1 2 297.380 2.211 20 5 CEBDLO CC[N@@H+]1[C@H](C)CN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@@H]1C ZINC000603142712 347296722 /nfs/dbraw/zinc/29/67/22/347296722.db2.gz NNSXKEFCLXVMTI-AOOOYVTPSA-N 1 2 297.380 2.211 20 5 CEBDLO CC(C)OC(=O)[C@H](C)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000129747831 365892431 /nfs/dbraw/zinc/89/24/31/365892431.db2.gz JPQUCNXHAXHQKK-NSHDSACASA-N 1 2 280.324 2.367 20 5 CEBDLO CC(C)OC(=O)[C@H](C)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000129747831 365892435 /nfs/dbraw/zinc/89/24/35/365892435.db2.gz JPQUCNXHAXHQKK-NSHDSACASA-N 1 2 280.324 2.367 20 5 CEBDLO CC1(C)COCC[N@@H+]1CCNc1sccc1[N+](=O)[O-] ZINC000611412374 347776000 /nfs/dbraw/zinc/77/60/00/347776000.db2.gz SDKWOPKKHTUSGN-UHFFFAOYSA-N 1 2 285.369 2.179 20 5 CEBDLO CC1(C)COCC[N@H+]1CCNc1sccc1[N+](=O)[O-] ZINC000611412374 347776002 /nfs/dbraw/zinc/77/60/02/347776002.db2.gz SDKWOPKKHTUSGN-UHFFFAOYSA-N 1 2 285.369 2.179 20 5 CEBDLO CC[N@H+](CC(=O)N(C)C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000611204692 347751283 /nfs/dbraw/zinc/75/12/83/347751283.db2.gz XGZVCQVOKLLELQ-LLVKDONJSA-N 1 2 279.340 2.066 20 5 CEBDLO CC[N@@H+](CC(=O)N(C)C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000611204692 347751286 /nfs/dbraw/zinc/75/12/86/347751286.db2.gz XGZVCQVOKLLELQ-LLVKDONJSA-N 1 2 279.340 2.066 20 5 CEBDLO COC(=O)[C@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000107828567 186193860 /nfs/dbraw/zinc/19/38/60/186193860.db2.gz QIHMNUMUECOCHB-CQSZACIVSA-N 1 2 292.335 2.165 20 5 CEBDLO COC(=O)[C@H]1CCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000107828567 186193862 /nfs/dbraw/zinc/19/38/62/186193862.db2.gz QIHMNUMUECOCHB-CQSZACIVSA-N 1 2 292.335 2.165 20 5 CEBDLO O=[N+]([O-])c1cc(F)ccc1NCCCn1cc[nH+]c1 ZINC000130239993 187479923 /nfs/dbraw/zinc/47/99/23/187479923.db2.gz ONHLDCFPEQWKOJ-UHFFFAOYSA-N 1 2 264.260 2.433 20 5 CEBDLO O=C(c1ccc([N+](=O)[O-])o1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000120334829 186893096 /nfs/dbraw/zinc/89/30/96/186893096.db2.gz SMKGAXDXJBCSFT-VIFPVBQESA-N 1 2 290.279 2.278 20 5 CEBDLO C[C@H](CC(=O)NCc1ccccc1[N+](=O)[O-])n1cc[nH+]c1 ZINC000569248193 299191737 /nfs/dbraw/zinc/19/17/37/299191737.db2.gz IRSXHFQIAJYXMN-LLVKDONJSA-N 1 2 288.307 2.059 20 5 CEBDLO C[C@H]1OCC[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000156181446 188247475 /nfs/dbraw/zinc/24/74/75/188247475.db2.gz UMFRGDFIMPESGH-GHMZBOCLSA-N 1 2 250.298 2.204 20 5 CEBDLO C[C@H]1OCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000156181446 188247477 /nfs/dbraw/zinc/24/74/77/188247477.db2.gz UMFRGDFIMPESGH-GHMZBOCLSA-N 1 2 250.298 2.204 20 5 CEBDLO CC[C@H](O)Cn1cc[nH+]c1-c1ccc([N+](=O)[O-])cc1 ZINC000156525419 188266585 /nfs/dbraw/zinc/26/65/85/188266585.db2.gz BBXRNPMDRAWXTO-LBPRGKRZSA-N 1 2 261.281 2.229 20 5 CEBDLO COc1cccc(N[C@H](C)Cn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000134912320 366373099 /nfs/dbraw/zinc/37/30/99/366373099.db2.gz DUWKZKZXCGBZIB-SNVBAGLBSA-N 1 2 276.296 2.301 20 5 CEBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338590754 366430677 /nfs/dbraw/zinc/43/06/77/366430677.db2.gz UEJNSDVQZZDYGH-GWCFXTLKSA-N 1 2 268.288 2.062 20 5 CEBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@](F)(CO)C1 ZINC000338590754 366430682 /nfs/dbraw/zinc/43/06/82/366430682.db2.gz UEJNSDVQZZDYGH-GWCFXTLKSA-N 1 2 268.288 2.062 20 5 CEBDLO Cc1cc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])nn1C ZINC000342293972 216296507 /nfs/dbraw/zinc/29/65/07/216296507.db2.gz HANKXISZMGJGRI-NSHDSACASA-N 1 2 274.324 2.488 20 5 CEBDLO Cc1ccc(NC(=O)C[NH+]2CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000581832468 366825596 /nfs/dbraw/zinc/82/55/96/366825596.db2.gz JIFFPDVSEOXQOE-UHFFFAOYSA-N 1 2 277.324 2.184 20 5 CEBDLO CCOc1cc(N(C)Cc2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000301939548 201269404 /nfs/dbraw/zinc/26/94/04/201269404.db2.gz TVCVYBWHPMNZGJ-UHFFFAOYSA-N 1 2 290.323 2.363 20 5 CEBDLO CCn1cc[nH+]c1CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605472 363912187 /nfs/dbraw/zinc/91/21/87/363912187.db2.gz UJGODDPMYXRVHZ-UHFFFAOYSA-N 1 2 286.335 2.370 20 5 CEBDLO COc1ccc(C[NH2+][C@H](C)c2nc(C)no2)cc1[N+](=O)[O-] ZINC000340430381 366882231 /nfs/dbraw/zinc/88/22/31/366882231.db2.gz GWXSTFKAUSEIPT-MRVPVSSYSA-N 1 2 292.295 2.146 20 5 CEBDLO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ncn(C)n2)cc1[N+](=O)[O-] ZINC000275726820 193114840 /nfs/dbraw/zinc/11/48/40/193114840.db2.gz ONHKJPFRWVQVLY-QWRGUYRKSA-N 1 2 289.339 2.444 20 5 CEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3C[C@H](O)C4(CC4)C3)c2c1 ZINC000582652814 366938457 /nfs/dbraw/zinc/93/84/57/366938457.db2.gz FMNHPLNCBLBJPQ-ZDUSSCGKSA-N 1 2 285.303 2.104 20 5 CEBDLO CC[C@H]1C[N@H+](CCNc2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000343096045 367668885 /nfs/dbraw/zinc/66/88/85/367668885.db2.gz KGNWKZVYVNYUHW-NSHDSACASA-N 1 2 297.330 2.257 20 5 CEBDLO CC[C@H]1C[N@@H+](CCNc2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000343096045 367668891 /nfs/dbraw/zinc/66/88/91/367668891.db2.gz KGNWKZVYVNYUHW-NSHDSACASA-N 1 2 297.330 2.257 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000330731127 203163782 /nfs/dbraw/zinc/16/37/82/203163782.db2.gz IQOOPKLRSPZYIK-OAHLLOKOSA-N 1 2 294.351 2.460 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000330731127 203163785 /nfs/dbraw/zinc/16/37/85/203163785.db2.gz IQOOPKLRSPZYIK-OAHLLOKOSA-N 1 2 294.351 2.460 20 5 CEBDLO CC(C)[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000330746591 203184003 /nfs/dbraw/zinc/18/40/03/203184003.db2.gz TZQBSWGASOKVSL-AWEZNQCLSA-N 1 2 264.325 2.452 20 5 CEBDLO CC(C)[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000330746591 203184007 /nfs/dbraw/zinc/18/40/07/203184007.db2.gz TZQBSWGASOKVSL-AWEZNQCLSA-N 1 2 264.325 2.452 20 5 CEBDLO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC(F)(F)CO)CCC2 ZINC000193296505 369920094 /nfs/dbraw/zinc/92/00/94/369920094.db2.gz LXKQNMCAGKCDGM-GFCCVEGCSA-N 1 2 286.278 2.189 20 5 CEBDLO CC(=O)c1cc(N(C)Cc2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000228260139 370400805 /nfs/dbraw/zinc/40/08/05/370400805.db2.gz YSXVXWRGDGDNMR-UHFFFAOYSA-N 1 2 288.307 2.167 20 5 CEBDLO Cn1c[nH+]c2cc(Nc3ccncc3[N+](=O)[O-])ccc21 ZINC000360993399 371586525 /nfs/dbraw/zinc/58/65/25/371586525.db2.gz BEUWAKLLBUVUEJ-UHFFFAOYSA-N 1 2 269.264 2.042 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C)N(C)C[C@@H]1C ZINC000361163641 371691742 /nfs/dbraw/zinc/69/17/42/371691742.db2.gz BMGVPXNSLYUTJE-STQMWFEESA-N 1 2 277.368 2.428 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)N(C)C[C@@H]1C ZINC000361163641 371691747 /nfs/dbraw/zinc/69/17/47/371691747.db2.gz BMGVPXNSLYUTJE-STQMWFEESA-N 1 2 277.368 2.428 20 5 CEBDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000275040787 374136045 /nfs/dbraw/zinc/13/60/45/374136045.db2.gz YBDCUBLPJJKTOL-FZMZJTMJSA-N 1 2 292.335 2.368 20 5 CEBDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000275040787 374136051 /nfs/dbraw/zinc/13/60/51/374136051.db2.gz YBDCUBLPJJKTOL-FZMZJTMJSA-N 1 2 292.335 2.368 20 5 CEBDLO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282653605 375540410 /nfs/dbraw/zinc/54/04/10/375540410.db2.gz CNUKSZMWNWQPRN-ZJUUUORDSA-N 1 2 268.288 2.343 20 5 CEBDLO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282653605 375540417 /nfs/dbraw/zinc/54/04/17/375540417.db2.gz CNUKSZMWNWQPRN-ZJUUUORDSA-N 1 2 268.288 2.343 20 5 CEBDLO CCc1nnc(C[NH2+]Cc2ccccc2[N+](=O)[O-])s1 ZINC000289701672 376453507 /nfs/dbraw/zinc/45/35/07/376453507.db2.gz DUZOBVGLCCKJNF-UHFFFAOYSA-N 1 2 278.337 2.299 20 5 CEBDLO CC(C)n1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)nn1 ZINC000289798396 376505331 /nfs/dbraw/zinc/50/53/31/376505331.db2.gz RBXKQTCPYWRXNO-UHFFFAOYSA-N 1 2 275.312 2.057 20 5 CEBDLO C[C@H](Nc1ccc(F)cc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000264289235 190101765 /nfs/dbraw/zinc/10/17/65/190101765.db2.gz QAYNKGXBUYOCCY-QWRGUYRKSA-N 1 2 297.330 2.255 20 5 CEBDLO C[C@@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H]1C ZINC000293505442 377598591 /nfs/dbraw/zinc/59/85/91/377598591.db2.gz UTPVWFZVWQAWCX-NXEZZACHSA-N 1 2 288.307 2.485 20 5 CEBDLO C[C@@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H]1C ZINC000293505442 377598598 /nfs/dbraw/zinc/59/85/98/377598598.db2.gz UTPVWFZVWQAWCX-NXEZZACHSA-N 1 2 288.307 2.485 20 5 CEBDLO COc1ccc(C[NH2+]Cc2nc(C)c(C)[nH]2)cc1[N+](=O)[O-] ZINC000565239666 377621704 /nfs/dbraw/zinc/62/17/04/377621704.db2.gz YHRKPGUTXRXXLQ-UHFFFAOYSA-N 1 2 290.323 2.233 20 5 CEBDLO COc1ccc(CNCc2[nH]c(C)c(C)[nH+]2)cc1[N+](=O)[O-] ZINC000565239666 377621711 /nfs/dbraw/zinc/62/17/11/377621711.db2.gz YHRKPGUTXRXXLQ-UHFFFAOYSA-N 1 2 290.323 2.233 20 5 CEBDLO CCc1c[nH+]ccc1NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000295913190 378352622 /nfs/dbraw/zinc/35/26/22/378352622.db2.gz RHXGYEDGXFCOEH-UHFFFAOYSA-N 1 2 265.313 2.418 20 5 CEBDLO Cc1ccc(C[N@H+](C2CC2)C2COC2)cc1[N+](=O)[O-] ZINC000296088576 378414761 /nfs/dbraw/zinc/41/47/61/378414761.db2.gz QZJVXDFENUISGW-UHFFFAOYSA-N 1 2 262.309 2.266 20 5 CEBDLO Cc1ccc(C[N@@H+](C2CC2)C2COC2)cc1[N+](=O)[O-] ZINC000296088576 378414766 /nfs/dbraw/zinc/41/47/66/378414766.db2.gz QZJVXDFENUISGW-UHFFFAOYSA-N 1 2 262.309 2.266 20 5 CEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@](C)(F)C1 ZINC000347346807 218199420 /nfs/dbraw/zinc/19/94/20/218199420.db2.gz IYNAHZOTGQUYOW-HZMBPMFUSA-N 1 2 295.314 2.356 20 5 CEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@](C)(F)C1 ZINC000347346807 218199421 /nfs/dbraw/zinc/19/94/21/218199421.db2.gz IYNAHZOTGQUYOW-HZMBPMFUSA-N 1 2 295.314 2.356 20 5 CEBDLO CCOC(=O)C[N@H+](C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000347370325 218210684 /nfs/dbraw/zinc/21/06/84/218210684.db2.gz VEEVQKVCFZUHLO-WQLSENKSSA-N 1 2 292.335 2.493 20 5 CEBDLO CCOC(=O)C[N@@H+](C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000347370325 218210686 /nfs/dbraw/zinc/21/06/86/218210686.db2.gz VEEVQKVCFZUHLO-WQLSENKSSA-N 1 2 292.335 2.493 20 5 CEBDLO CCn1nccc1C[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000507141414 379097291 /nfs/dbraw/zinc/09/72/91/379097291.db2.gz GASZLTMVOIQORW-UHFFFAOYSA-N 1 2 274.324 2.443 20 5 CEBDLO CCn1nccc1C[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000507141414 379097305 /nfs/dbraw/zinc/09/73/05/379097305.db2.gz GASZLTMVOIQORW-UHFFFAOYSA-N 1 2 274.324 2.443 20 5 CEBDLO O=[N+]([O-])c1cnc(NCCCCn2cc[nH+]c2)c(F)c1 ZINC000518487683 379388142 /nfs/dbraw/zinc/38/81/42/379388142.db2.gz MKHORKTULDPWHG-UHFFFAOYSA-N 1 2 279.275 2.218 20 5 CEBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000456352633 379400699 /nfs/dbraw/zinc/40/06/99/379400699.db2.gz NQWBEBXLSYMGMJ-JTQLQIEISA-N 1 2 288.307 2.302 20 5 CEBDLO COC(=O)[C@]1(C)CCC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000189989570 130047874 /nfs/dbraw/zinc/04/78/74/130047874.db2.gz ASBPSLWIBGHGSW-HNNXBMFYSA-N 1 2 292.335 2.431 20 5 CEBDLO COC(=O)[C@]1(C)CCC[N@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000189989570 130047877 /nfs/dbraw/zinc/04/78/77/130047877.db2.gz ASBPSLWIBGHGSW-HNNXBMFYSA-N 1 2 292.335 2.431 20 5 CEBDLO Cc1cccc(N[C@@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000218836656 394457674 /nfs/dbraw/zinc/45/76/74/394457674.db2.gz MJIOLYLUQVLOMJ-LBPRGKRZSA-N 1 2 279.340 2.036 20 5 CEBDLO COCCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413025730 394466795 /nfs/dbraw/zinc/46/67/95/394466795.db2.gz RXZAWVKXEOZVST-UHFFFAOYSA-N 1 2 261.281 2.013 20 5 CEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N[C@H]3CCOC3)c2c1 ZINC000413206805 394504465 /nfs/dbraw/zinc/50/44/65/394504465.db2.gz QAICKJHJACODNU-JTQLQIEISA-N 1 2 259.265 2.344 20 5 CEBDLO Cc1cc[nH+]cc1N1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000359930013 394780819 /nfs/dbraw/zinc/78/08/19/394780819.db2.gz OTZCDTQETPBDRU-UHFFFAOYSA-N 1 2 299.334 2.020 20 5 CEBDLO CCCC[N@H+](CCO)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285904148 394981685 /nfs/dbraw/zinc/98/16/85/394981685.db2.gz HAXJUMSMGOGIEX-UHFFFAOYSA-N 1 2 288.294 2.467 20 5 CEBDLO CCCC[N@@H+](CCO)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285904148 394981691 /nfs/dbraw/zinc/98/16/91/394981691.db2.gz HAXJUMSMGOGIEX-UHFFFAOYSA-N 1 2 288.294 2.467 20 5 CEBDLO O=C(Nc1ccn2cc[nH+]c2c1)c1ccccc1[N+](=O)[O-] ZINC000355293018 395400091 /nfs/dbraw/zinc/40/00/91/395400091.db2.gz SLXKUZGLXVDUTD-UHFFFAOYSA-N 1 2 282.259 2.495 20 5 CEBDLO O=C(Nc1ccn2cc[nH+]c2c1)c1cccc([N+](=O)[O-])c1 ZINC000355317753 395409379 /nfs/dbraw/zinc/40/93/79/395409379.db2.gz QXVADKVQNBGBRG-UHFFFAOYSA-N 1 2 282.259 2.495 20 5 CEBDLO C[C@@H](O)C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC(F)F ZINC000451856431 395625540 /nfs/dbraw/zinc/62/55/40/395625540.db2.gz UKAPDNOMPHLISL-SNVBAGLBSA-N 1 2 288.294 2.085 20 5 CEBDLO C[C@@H](O)C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC(F)F ZINC000451856431 395625541 /nfs/dbraw/zinc/62/55/41/395625541.db2.gz UKAPDNOMPHLISL-SNVBAGLBSA-N 1 2 288.294 2.085 20 5 CEBDLO Cc1cc(N(C)Cc2[nH]cc[nH+]2)c(F)cc1[N+](=O)[O-] ZINC000360072853 155207097 /nfs/dbraw/zinc/20/70/97/155207097.db2.gz NSQGQWMQNWCMCI-UHFFFAOYSA-N 1 2 264.260 2.402 20 5 CEBDLO COC[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@H](C)O1 ZINC000189463888 153093929 /nfs/dbraw/zinc/09/39/29/153093929.db2.gz RFASNLMNJOOPIM-FZMZJTMJSA-N 1 2 294.351 2.139 20 5 CEBDLO COC[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@H](C)O1 ZINC000189463888 153093932 /nfs/dbraw/zinc/09/39/32/153093932.db2.gz RFASNLMNJOOPIM-FZMZJTMJSA-N 1 2 294.351 2.139 20 5 CEBDLO COC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000052307142 277084209 /nfs/dbraw/zinc/08/42/09/277084209.db2.gz MAMFOEWBGZAYPM-AWEZNQCLSA-N 1 2 292.335 2.431 20 5 CEBDLO COC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000052307142 277084212 /nfs/dbraw/zinc/08/42/12/277084212.db2.gz MAMFOEWBGZAYPM-AWEZNQCLSA-N 1 2 292.335 2.431 20 5 CEBDLO COC(=O)[C@@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000107828563 277345533 /nfs/dbraw/zinc/34/55/33/277345533.db2.gz QIHMNUMUECOCHB-AWEZNQCLSA-N 1 2 292.335 2.165 20 5 CEBDLO COC(=O)[C@@H]1CCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000107828563 277345534 /nfs/dbraw/zinc/34/55/34/277345534.db2.gz QIHMNUMUECOCHB-AWEZNQCLSA-N 1 2 292.335 2.165 20 5 CEBDLO CC(C)C[N@H+](CC(N)=O)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000266922224 277378676 /nfs/dbraw/zinc/37/86/76/277378676.db2.gz POLUDJHMEMPIAA-UHFFFAOYSA-N 1 2 299.758 2.192 20 5 CEBDLO CC(C)C[N@@H+](CC(N)=O)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000266922224 277378677 /nfs/dbraw/zinc/37/86/77/277378677.db2.gz POLUDJHMEMPIAA-UHFFFAOYSA-N 1 2 299.758 2.192 20 5 CEBDLO Cn1c[nH+]cc1COc1ccc([N+](=O)[O-])c2ncccc12 ZINC000471884957 290289130 /nfs/dbraw/zinc/28/91/30/290289130.db2.gz BXQVADOLMXPLHP-UHFFFAOYSA-N 1 2 284.275 2.456 20 5 CEBDLO Cc1nc(N2CCCC[C@@H]2c2[nH]cc[nH+]2)ncc1[N+](=O)[O-] ZINC000297333248 293294085 /nfs/dbraw/zinc/29/40/85/293294085.db2.gz AJZWCDYKOAUYAJ-SNVBAGLBSA-N 1 2 288.311 2.148 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C(C)C)C1COC1 ZINC000295382147 295254962 /nfs/dbraw/zinc/25/49/62/295254962.db2.gz KPPFICJSMGGNJD-UHFFFAOYSA-N 1 2 280.324 2.213 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C(C)C)C1COC1 ZINC000295382147 295254965 /nfs/dbraw/zinc/25/49/65/295254965.db2.gz KPPFICJSMGGNJD-UHFFFAOYSA-N 1 2 280.324 2.213 20 5 CEBDLO Cc1c(NC(=O)[C@@H](C)[NH+]2CC(C)C2)cccc1[N+](=O)[O-] ZINC000565174704 298883769 /nfs/dbraw/zinc/88/37/69/298883769.db2.gz WMSVZAPWEJQNSM-LLVKDONJSA-N 1 2 277.324 2.182 20 5 CEBDLO COc1cc(C[NH+]2CCSCC2)c([N+](=O)[O-])cc1F ZINC000184246291 518133568 /nfs/dbraw/zinc/13/35/68/518133568.db2.gz BHIZYFNZKNOQEI-UHFFFAOYSA-N 1 2 286.328 2.291 20 5 CEBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCCO[C@@H](CF)C2)cs1 ZINC000411851795 534880068 /nfs/dbraw/zinc/88/00/68/534880068.db2.gz HDXMDFXSQAABJT-JTQLQIEISA-N 1 2 274.317 2.217 20 5 CEBDLO O=[N+]([O-])c1cc(C[N@H+]2CCCO[C@@H](CF)C2)cs1 ZINC000411851795 534880073 /nfs/dbraw/zinc/88/00/73/534880073.db2.gz HDXMDFXSQAABJT-JTQLQIEISA-N 1 2 274.317 2.217 20 5 CEBDLO O=[N+]([O-])c1ccc(-c2csc([C@H]3COCC[NH2+]3)n2)cc1 ZINC000226469132 527343330 /nfs/dbraw/zinc/34/33/30/527343330.db2.gz CPPMJZJKXXMPHN-LLVKDONJSA-N 1 2 291.332 2.379 20 5 CEBDLO CCn1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)n1 ZINC000414476875 529170869 /nfs/dbraw/zinc/17/08/69/529170869.db2.gz BQRGISJNDNBAMQ-UHFFFAOYSA-N 1 2 260.297 2.101 20 5 CEBDLO O=[N+]([O-])c1cnn(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)c1 ZINC000730454177 574519978 /nfs/dbraw/zinc/51/99/78/574519978.db2.gz HKNKFOLDYOBLIA-LLVKDONJSA-N 1 2 290.298 2.377 20 5 CEBDLO O=[N+]([O-])c1cnn(C[N@H+]2CC[C@@H](c3ccccc3F)C2)c1 ZINC000730454177 574519979 /nfs/dbraw/zinc/51/99/79/574519979.db2.gz HKNKFOLDYOBLIA-LLVKDONJSA-N 1 2 290.298 2.377 20 5 CEBDLO O=[N+]([O-])c1cccc(C[NH2+]Cc2nccn2C(F)F)c1 ZINC000051634391 624476574 /nfs/dbraw/zinc/47/65/74/624476574.db2.gz JCNIPCBYAGNXIB-UHFFFAOYSA-N 1 2 282.250 2.476 20 5 CEBDLO COc1c(O)ccc(C[NH+]2CC(C)(C)C2)c1[N+](=O)[O-] ZINC000895826434 630357305 /nfs/dbraw/zinc/35/73/05/630357305.db2.gz UQTQTOCGBJICDS-UHFFFAOYSA-N 1 2 266.297 2.151 20 5 CEBDLO Cc1c(C[N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)cnn1C ZINC000801554514 631287738 /nfs/dbraw/zinc/28/77/38/631287738.db2.gz JBAAJRATWZEPML-UHFFFAOYSA-N 1 2 292.314 2.408 20 5 CEBDLO Cc1c(C[N@@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)cnn1C ZINC000801554514 631287744 /nfs/dbraw/zinc/28/77/44/631287744.db2.gz JBAAJRATWZEPML-UHFFFAOYSA-N 1 2 292.314 2.408 20 5 CEBDLO Cc1cccc([C@@H]([NH2+]CC[N+](=O)[O-])c2ccccn2)c1 ZINC000905187257 635857554 /nfs/dbraw/zinc/85/75/54/635857554.db2.gz BDABNRBRQLMZCJ-OAHLLOKOSA-N 1 2 271.320 2.346 20 5 CEBDLO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cn(C)nn2)cc1[N+](=O)[O-] ZINC000902874381 634867111 /nfs/dbraw/zinc/86/71/11/634867111.db2.gz FLFCREFPYQFLNZ-MNOVXSKESA-N 1 2 289.339 2.444 20 5 CEBDLO CCc1nc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)co1 ZINC000825050658 635549956 /nfs/dbraw/zinc/54/99/56/635549956.db2.gz PIXUHVWBDFUPRI-UHFFFAOYSA-N 1 2 261.281 2.435 20 5 CEBDLO Cc1cccc2c1CC[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])C2 ZINC000876695207 650403999 /nfs/dbraw/zinc/40/39/99/650403999.db2.gz UKINGJGNLRFMJV-UHFFFAOYSA-N 1 2 286.335 2.195 20 5 CEBDLO Cc1cccc2c1CC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])C2 ZINC000876695207 650404003 /nfs/dbraw/zinc/40/40/03/650404003.db2.gz UKINGJGNLRFMJV-UHFFFAOYSA-N 1 2 286.335 2.195 20 5 CEBDLO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000839194461 644186588 /nfs/dbraw/zinc/18/65/88/644186588.db2.gz QOQJCTIKUOICRV-YGRLFVJLSA-N 1 2 280.299 2.345 20 5 CEBDLO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000839194461 644186590 /nfs/dbraw/zinc/18/65/90/644186590.db2.gz QOQJCTIKUOICRV-YGRLFVJLSA-N 1 2 280.299 2.345 20 5 CEBDLO Cc1nn(C[NH+]2CCSCC2)c2ccc([N+](=O)[O-])cc12 ZINC000764901933 645709178 /nfs/dbraw/zinc/70/91/78/645709178.db2.gz KSKVQFNSXFNOCV-UHFFFAOYSA-N 1 2 292.364 2.259 20 5 CEBDLO Cc1ccc([C@@H]([NH2+]CC[N+](=O)[O-])c2ccccn2)cc1 ZINC000930279577 647918884 /nfs/dbraw/zinc/91/88/84/647918884.db2.gz NEGSEAKZJVJEIB-OAHLLOKOSA-N 1 2 271.320 2.346 20 5 CEBDLO Cc1nn(C[NH+]2CCC(CCF)CC2)c(C)c1[N+](=O)[O-] ZINC000872647286 649448371 /nfs/dbraw/zinc/44/83/71/649448371.db2.gz FVVGYBGMWOKARW-UHFFFAOYSA-N 1 2 284.335 2.437 20 5 CEBDLO Nc1cnc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cn1 ZINC000873203250 649587299 /nfs/dbraw/zinc/58/72/99/649587299.db2.gz VMYQMXZSJMVSKF-UHFFFAOYSA-N 1 2 299.334 2.132 20 5 CEBDLO Nc1cnc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cn1 ZINC000873203250 649587302 /nfs/dbraw/zinc/58/73/02/649587302.db2.gz VMYQMXZSJMVSKF-UHFFFAOYSA-N 1 2 299.334 2.132 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000880503327 651451570 /nfs/dbraw/zinc/45/15/70/651451570.db2.gz OTQJOULQQHLVNK-CABCVRRESA-N 1 2 292.335 2.492 20 5 CEBDLO COc1ncc(Nc2cccc3[nH+]ccn32)cc1[N+](=O)[O-] ZINC001210135094 802636435 /nfs/dbraw/zinc/63/64/35/802636435.db2.gz MXRKPMJSDUIKKA-UHFFFAOYSA-N 1 2 285.263 2.390 20 5 CEBDLO CC[C@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C(=O)OC ZINC001254532883 812462721 /nfs/dbraw/zinc/46/27/21/812462721.db2.gz ROCIJHXUMGXXMW-JQWIXIFHSA-N 1 2 280.324 2.067 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)Cn1cc[nH+]c1 ZINC001141707915 816580887 /nfs/dbraw/zinc/58/08/87/816580887.db2.gz OGTQVWGIEFTOGY-UHFFFAOYSA-N 1 2 274.280 2.047 20 5 CEBDLO CCn1cc[nH+]c1CNc1ccc([N+](=O)[O-])c(OC)c1 ZINC000294972763 199277337 /nfs/dbraw/zinc/27/73/37/199277337.db2.gz LDNVYCCFYSFVJV-UHFFFAOYSA-N 1 2 276.296 2.432 20 5 CEBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2nnc(C3CC3)[nH]2)c(F)c1 ZINC000449404667 282223359 /nfs/dbraw/zinc/22/33/59/282223359.db2.gz DNAAQXYZEVDCER-UHFFFAOYSA-N 1 2 291.286 2.019 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCCCC1 ZINC000016442298 343372027 /nfs/dbraw/zinc/37/20/27/343372027.db2.gz IFYZUHPFZSHBIW-UHFFFAOYSA-N 1 2 277.324 2.328 20 5 CEBDLO O=[N+]([O-])c1cccnc1NCCc1cn2ccccc2[nH+]1 ZINC000022875009 343380738 /nfs/dbraw/zinc/38/07/38/343380738.db2.gz OWXZFZFNTAVWAJ-UHFFFAOYSA-N 1 2 283.291 2.292 20 5 CEBDLO Cc1ccc[nH+]c1CCCNc1ncc([N+](=O)[O-])cn1 ZINC000294992655 199288706 /nfs/dbraw/zinc/28/87/06/199288706.db2.gz NHAWKDTYIQNJFM-UHFFFAOYSA-N 1 2 273.296 2.133 20 5 CEBDLO CCn1cc[nH+]c1CNc1ncc([N+](=O)[O-])cc1Cl ZINC000295021372 199304171 /nfs/dbraw/zinc/30/41/71/199304171.db2.gz QPYYIMBNOIPAKH-UHFFFAOYSA-N 1 2 281.703 2.472 20 5 CEBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC1(O)CCCC1 ZINC000093502967 344226257 /nfs/dbraw/zinc/22/62/57/344226257.db2.gz VDODKGZQVQXXAL-UHFFFAOYSA-N 1 2 280.324 2.037 20 5 CEBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC1(O)CCCC1 ZINC000093502967 344226260 /nfs/dbraw/zinc/22/62/60/344226260.db2.gz VDODKGZQVQXXAL-UHFFFAOYSA-N 1 2 280.324 2.037 20 5 CEBDLO CC[C@H]([NH2+]Cc1cn(CC)nn1)c1cccc([N+](=O)[O-])c1 ZINC000404438717 344880399 /nfs/dbraw/zinc/88/03/99/344880399.db2.gz FHQFQLVRAFXAPU-AWEZNQCLSA-N 1 2 289.339 2.447 20 5 CEBDLO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C(C)(C)CO ZINC000586764742 345018671 /nfs/dbraw/zinc/01/86/71/345018671.db2.gz BWWYKPLHSRUZMB-UHFFFAOYSA-N 1 2 274.267 2.076 20 5 CEBDLO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C(C)(C)CO ZINC000586764742 345018673 /nfs/dbraw/zinc/01/86/73/345018673.db2.gz BWWYKPLHSRUZMB-UHFFFAOYSA-N 1 2 274.267 2.076 20 5 CEBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])Cc1ncccc1O ZINC000589158408 345068103 /nfs/dbraw/zinc/06/81/03/345068103.db2.gz MEXFKACIMFBXFY-UHFFFAOYSA-N 1 2 273.292 2.327 20 5 CEBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])Cc1ncccc1O ZINC000589158408 345068104 /nfs/dbraw/zinc/06/81/04/345068104.db2.gz MEXFKACIMFBXFY-UHFFFAOYSA-N 1 2 273.292 2.327 20 5 CEBDLO O=[N+]([O-])c1cnc2ccccc2c1-n1c[nH+]c(CCCO)c1 ZINC000589862341 345102946 /nfs/dbraw/zinc/10/29/46/345102946.db2.gz KXCGJFMWWGMQLR-UHFFFAOYSA-N 1 2 298.302 2.254 20 5 CEBDLO CCn1cc[nH+]c1[C@@H](C)Nc1cccnc1[N+](=O)[O-] ZINC000590723752 345168335 /nfs/dbraw/zinc/16/83/35/345168335.db2.gz BRGPSIXXJOKIJA-SECBINFHSA-N 1 2 261.285 2.379 20 5 CEBDLO Cc1c(C[NH+]2CCN(CC(F)F)CC2)cccc1[N+](=O)[O-] ZINC000057911810 232178769 /nfs/dbraw/zinc/17/87/69/232178769.db2.gz KZWVPYFFJNMNNS-UHFFFAOYSA-N 1 2 299.321 2.286 20 5 CEBDLO C[C@H](O)C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000594065491 345577044 /nfs/dbraw/zinc/57/70/44/345577044.db2.gz QSFHYYANMZTGAT-VIFPVBQESA-N 1 2 268.288 2.079 20 5 CEBDLO C[C@H](O)C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000594065491 345577045 /nfs/dbraw/zinc/57/70/45/345577045.db2.gz QSFHYYANMZTGAT-VIFPVBQESA-N 1 2 268.288 2.079 20 5 CEBDLO CC(C)OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000058815338 362638974 /nfs/dbraw/zinc/63/89/74/362638974.db2.gz XVRJXFNSWFODNT-UHFFFAOYSA-N 1 2 275.264 2.346 20 5 CEBDLO Cc1noc(C[N@@H+]2CCOC3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000595325961 345761982 /nfs/dbraw/zinc/76/19/82/345761982.db2.gz IAMLUVGARJNNAS-UHFFFAOYSA-N 1 2 295.339 2.426 20 5 CEBDLO Cc1noc(C[N@H+]2CCOC3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000595325961 345761985 /nfs/dbraw/zinc/76/19/85/345761985.db2.gz IAMLUVGARJNNAS-UHFFFAOYSA-N 1 2 295.339 2.426 20 5 CEBDLO CCOC(=O)C12CC(C1)C[N@@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC000595859946 345900403 /nfs/dbraw/zinc/90/04/03/345900403.db2.gz FGMQCWTXBQOBAW-UHFFFAOYSA-N 1 2 290.319 2.122 20 5 CEBDLO CCOC(=O)C12CC(C1)C[N@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC000595859946 345900406 /nfs/dbraw/zinc/90/04/06/345900406.db2.gz FGMQCWTXBQOBAW-UHFFFAOYSA-N 1 2 290.319 2.122 20 5 CEBDLO C[C@H]1C[N@H+](CCNc2sccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000596426519 346020262 /nfs/dbraw/zinc/02/02/62/346020262.db2.gz BKNPTJMCZZNLQS-UWVGGRQHSA-N 1 2 285.369 2.177 20 5 CEBDLO C[C@H]1C[N@@H+](CCNc2sccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000596426519 346020265 /nfs/dbraw/zinc/02/02/65/346020265.db2.gz BKNPTJMCZZNLQS-UWVGGRQHSA-N 1 2 285.369 2.177 20 5 CEBDLO C[C@H]1C[N@H+](CCNc2c(F)cccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000596430330 346021972 /nfs/dbraw/zinc/02/19/72/346021972.db2.gz LRRGHTXIBLAEKO-QWRGUYRKSA-N 1 2 297.330 2.255 20 5 CEBDLO C[C@H]1C[N@@H+](CCNc2c(F)cccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000596430330 346021977 /nfs/dbraw/zinc/02/19/77/346021977.db2.gz LRRGHTXIBLAEKO-QWRGUYRKSA-N 1 2 297.330 2.255 20 5 CEBDLO Cc1nnc(C[N@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])o1 ZINC000597199019 346147198 /nfs/dbraw/zinc/14/71/98/346147198.db2.gz QUHVPBXRJOIQPB-ALCCZGGFSA-N 1 2 288.307 2.431 20 5 CEBDLO Cc1nnc(C[N@@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])o1 ZINC000597199019 346147201 /nfs/dbraw/zinc/14/72/01/346147201.db2.gz QUHVPBXRJOIQPB-ALCCZGGFSA-N 1 2 288.307 2.431 20 5 CEBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC[C@@H](O)C1 ZINC000599015080 346446146 /nfs/dbraw/zinc/44/61/46/346446146.db2.gz FLTGGGDZCCIRKY-LLVKDONJSA-N 1 2 273.292 2.104 20 5 CEBDLO O=[N+]([O-])c1cc(F)c(CN2CCc3[nH+]c[nH]c3C2)c(F)c1 ZINC000599423118 346516346 /nfs/dbraw/zinc/51/63/46/346516346.db2.gz TXPCTBJRAXIRGN-UHFFFAOYSA-N 1 2 294.261 2.154 20 5 CEBDLO COC[C@@]1(C)C[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000599694432 346570277 /nfs/dbraw/zinc/57/02/77/346570277.db2.gz UAFRTVUFPLFGPZ-SWLSCSKDSA-N 1 2 294.351 2.393 20 5 CEBDLO COC[C@@]1(C)C[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000599694432 346570307 /nfs/dbraw/zinc/57/03/07/346570307.db2.gz UAFRTVUFPLFGPZ-SWLSCSKDSA-N 1 2 294.351 2.393 20 5 CEBDLO C[C@@H](CF)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602662259 347129684 /nfs/dbraw/zinc/12/96/84/347129684.db2.gz NIOKNXPQSBEFSD-ZETCQYMHSA-N 1 2 253.233 2.184 20 5 CEBDLO CCC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])CC(F)F ZINC000602772207 347192451 /nfs/dbraw/zinc/19/24/51/347192451.db2.gz QDQFSHAIVMYFKT-UHFFFAOYSA-N 1 2 276.287 2.077 20 5 CEBDLO CCC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])CC(F)F ZINC000602772207 347192455 /nfs/dbraw/zinc/19/24/55/347192455.db2.gz QDQFSHAIVMYFKT-UHFFFAOYSA-N 1 2 276.287 2.077 20 5 CEBDLO CC1(C)C[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000602752707 347186151 /nfs/dbraw/zinc/18/61/51/347186151.db2.gz ZXXISQHYTWLLDE-UHFFFAOYSA-N 1 2 278.308 2.208 20 5 CEBDLO C[C@H](CNc1ccc([N+](=O)[O-])s1)C[NH+]1CCOCC1 ZINC000609965108 347656123 /nfs/dbraw/zinc/65/61/23/347656123.db2.gz VYMJVZHLIUPILB-SNVBAGLBSA-N 1 2 285.369 2.037 20 5 CEBDLO C[C@@H]1CCN(c2cccnc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000610726492 347707113 /nfs/dbraw/zinc/70/71/13/347707113.db2.gz XTDHZXXQLZMIFW-YPMHNXCESA-N 1 2 287.323 2.274 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]21 ZINC000610762780 347712958 /nfs/dbraw/zinc/71/29/58/347712958.db2.gz UZHQNUFCVIMSIE-NWDGAFQWSA-N 1 2 289.335 2.326 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]21 ZINC000610762780 347712959 /nfs/dbraw/zinc/71/29/59/347712959.db2.gz UZHQNUFCVIMSIE-NWDGAFQWSA-N 1 2 289.335 2.326 20 5 CEBDLO CC(C)Cn1cc[nH+]c1CNc1cccnc1[N+](=O)[O-] ZINC000610279425 347668797 /nfs/dbraw/zinc/66/87/97/347668797.db2.gz PCIPKCAONKJLOY-UHFFFAOYSA-N 1 2 275.312 2.454 20 5 CEBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC(=O)N1CCCC1 ZINC000611202931 347750875 /nfs/dbraw/zinc/75/08/75/347750875.db2.gz KKZZHQLIMGUORP-GFCCVEGCSA-N 1 2 291.351 2.210 20 5 CEBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CC(=O)N1CCCC1 ZINC000611202931 347750876 /nfs/dbraw/zinc/75/08/76/347750876.db2.gz KKZZHQLIMGUORP-GFCCVEGCSA-N 1 2 291.351 2.210 20 5 CEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC=CCC1 ZINC000611517510 347789121 /nfs/dbraw/zinc/78/91/21/347789121.db2.gz JVPGUTIOXFKRGO-NSHDSACASA-N 1 2 275.308 2.184 20 5 CEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC=CCC1 ZINC000611517510 347789124 /nfs/dbraw/zinc/78/91/24/347789124.db2.gz JVPGUTIOXFKRGO-NSHDSACASA-N 1 2 275.308 2.184 20 5 CEBDLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000339567416 215248811 /nfs/dbraw/zinc/24/88/11/215248811.db2.gz FOTUGBMVQRQRAL-DTWKUNHWSA-N 1 2 260.297 2.311 20 5 CEBDLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000339567416 215248813 /nfs/dbraw/zinc/24/88/13/215248813.db2.gz FOTUGBMVQRQRAL-DTWKUNHWSA-N 1 2 260.297 2.311 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC3(C2)OCCO3)c(F)c1 ZINC000090561418 180004929 /nfs/dbraw/zinc/00/49/29/180004929.db2.gz PFUAOJBEXFPROQ-UHFFFAOYSA-N 1 2 296.298 2.073 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCCC3(C2)OCCO3)c(F)c1 ZINC000090561418 180004931 /nfs/dbraw/zinc/00/49/31/180004931.db2.gz PFUAOJBEXFPROQ-UHFFFAOYSA-N 1 2 296.298 2.073 20 5 CEBDLO CC[N@H+](CCO)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000107904864 186197147 /nfs/dbraw/zinc/19/71/47/186197147.db2.gz JKXBIIXKRKBHOS-UHFFFAOYSA-N 1 2 258.705 2.062 20 5 CEBDLO CC[N@@H+](CCO)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000107904864 186197149 /nfs/dbraw/zinc/19/71/49/186197149.db2.gz JKXBIIXKRKBHOS-UHFFFAOYSA-N 1 2 258.705 2.062 20 5 CEBDLO Cn1cc[nH+]c1CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153245701 188072976 /nfs/dbraw/zinc/07/29/76/188072976.db2.gz GGWATCUDNWBRCW-UHFFFAOYSA-N 1 2 286.335 2.493 20 5 CEBDLO COC(=O)[C@H](C)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000271830692 191353927 /nfs/dbraw/zinc/35/39/27/191353927.db2.gz QUBYXPNHFHDIDV-MNOVXSKESA-N 1 2 280.324 2.067 20 5 CEBDLO Cn1ccnc1C[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000273738100 192285151 /nfs/dbraw/zinc/28/51/51/192285151.db2.gz LKXNNLGMKBYXKZ-FNORWQNLSA-N 1 2 286.335 2.474 20 5 CEBDLO Cn1ccnc1C[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000273738100 192285153 /nfs/dbraw/zinc/28/51/53/192285153.db2.gz LKXNNLGMKBYXKZ-FNORWQNLSA-N 1 2 286.335 2.474 20 5 CEBDLO CN(C/C=C/c1ccccc1[N+](=O)[O-])Cc1[nH+]ccn1C ZINC000273738100 192285156 /nfs/dbraw/zinc/28/51/56/192285156.db2.gz LKXNNLGMKBYXKZ-FNORWQNLSA-N 1 2 286.335 2.474 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1CNCC1([NH+](C)C)CC1 ZINC000418109781 237285467 /nfs/dbraw/zinc/28/54/67/237285467.db2.gz ACVHVZPBTAHKEQ-UHFFFAOYSA-N 1 2 263.341 2.087 20 5 CEBDLO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000180761874 189274117 /nfs/dbraw/zinc/27/41/17/189274117.db2.gz PRUURHSEBLVHFZ-CYBMUJFWSA-N 1 2 292.335 2.431 20 5 CEBDLO CCOC(=O)[C@H]1CCC[N@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000180761874 189274118 /nfs/dbraw/zinc/27/41/18/189274118.db2.gz PRUURHSEBLVHFZ-CYBMUJFWSA-N 1 2 292.335 2.431 20 5 CEBDLO Cc1c[nH+]c(C)nc1NCCc1ccc([N+](=O)[O-])cc1 ZINC000581954377 366841163 /nfs/dbraw/zinc/84/11/63/366841163.db2.gz VLHWGGDRXGQHDN-UHFFFAOYSA-N 1 2 272.308 2.078 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1N[C@@H](C)C[NH+]1CCOCC1 ZINC000112209053 364777966 /nfs/dbraw/zinc/77/79/66/364777966.db2.gz ZPIJNTCUPNMZTI-LBPRGKRZSA-N 1 2 279.340 2.036 20 5 CEBDLO C[C@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)c1nncn1C ZINC000112837103 364849256 /nfs/dbraw/zinc/84/92/56/364849256.db2.gz WQVMIGPRGIFIAF-QMMMGPOBSA-N 1 2 295.730 2.228 20 5 CEBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2n[nH]cc2C1 ZINC000118854277 365186999 /nfs/dbraw/zinc/18/69/99/365186999.db2.gz XQKQQSHVNHPPKQ-JTQLQIEISA-N 1 2 272.308 2.437 20 5 CEBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCc2n[nH]cc2C1 ZINC000118854277 365187004 /nfs/dbraw/zinc/18/70/04/365187004.db2.gz XQKQQSHVNHPPKQ-JTQLQIEISA-N 1 2 272.308 2.437 20 5 CEBDLO C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ncn(C)n1 ZINC000275772609 193125366 /nfs/dbraw/zinc/12/53/66/193125366.db2.gz TWBNLWYQSOJHRX-NXEZZACHSA-N 1 2 275.312 2.135 20 5 CEBDLO Cc1ccc(SC[C@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000582962954 366982232 /nfs/dbraw/zinc/98/22/32/366982232.db2.gz YXDNHRKDDADDHT-LLVKDONJSA-N 1 2 282.365 2.326 20 5 CEBDLO Cc1ccc(SC[C@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000582962954 366982235 /nfs/dbraw/zinc/98/22/35/366982235.db2.gz YXDNHRKDDADDHT-LLVKDONJSA-N 1 2 282.365 2.326 20 5 CEBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@@H](O)C(F)(F)F ZINC000341117245 367180840 /nfs/dbraw/zinc/18/08/40/367180840.db2.gz FIJMDNRIQYSGEB-SNVBAGLBSA-N 1 2 296.220 2.089 20 5 CEBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@@H](O)C(F)(F)F ZINC000341117245 367180847 /nfs/dbraw/zinc/18/08/47/367180847.db2.gz FIJMDNRIQYSGEB-SNVBAGLBSA-N 1 2 296.220 2.089 20 5 CEBDLO C[C@@H](Nc1ccc([N+](=O)[O-])s1)[C@H](C)[NH+]1CCOCC1 ZINC000609192979 367222929 /nfs/dbraw/zinc/22/29/29/367222929.db2.gz UUBMTNNXGPERAX-ZJUUUORDSA-N 1 2 285.369 2.177 20 5 CEBDLO CC(=O)N1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000182208184 368535625 /nfs/dbraw/zinc/53/56/25/368535625.db2.gz AMQWMZVUOBANHE-UHFFFAOYSA-N 1 2 291.351 2.038 20 5 CEBDLO CC(=O)N1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000182208184 368535629 /nfs/dbraw/zinc/53/56/29/368535629.db2.gz AMQWMZVUOBANHE-UHFFFAOYSA-N 1 2 291.351 2.038 20 5 CEBDLO CCC[C@]1(C)C(=O)NCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000187328341 369138840 /nfs/dbraw/zinc/13/88/40/369138840.db2.gz OMFLUSDIUCUGKA-OAHLLOKOSA-N 1 2 291.351 2.085 20 5 CEBDLO CCC[C@]1(C)C(=O)NCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000187328341 369138845 /nfs/dbraw/zinc/13/88/45/369138845.db2.gz OMFLUSDIUCUGKA-OAHLLOKOSA-N 1 2 291.351 2.085 20 5 CEBDLO CC(C)[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000330746592 203183113 /nfs/dbraw/zinc/18/31/13/203183113.db2.gz TZQBSWGASOKVSL-CQSZACIVSA-N 1 2 264.325 2.452 20 5 CEBDLO CC(C)[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000330746592 203183116 /nfs/dbraw/zinc/18/31/16/203183116.db2.gz TZQBSWGASOKVSL-CQSZACIVSA-N 1 2 264.325 2.452 20 5 CEBDLO CCCCC[N@H+](CCO)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000349817422 369408963 /nfs/dbraw/zinc/40/89/63/369408963.db2.gz WFGTURQDXWDXGJ-UHFFFAOYSA-N 1 2 282.340 2.285 20 5 CEBDLO CCCCC[N@@H+](CCO)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000349817422 369408967 /nfs/dbraw/zinc/40/89/67/369408967.db2.gz WFGTURQDXWDXGJ-UHFFFAOYSA-N 1 2 282.340 2.285 20 5 CEBDLO CCn1ncnc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000193488831 369947042 /nfs/dbraw/zinc/94/70/42/369947042.db2.gz TUHYODLYCWDRPR-SNVBAGLBSA-N 1 2 275.312 2.057 20 5 CEBDLO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1nncn1C ZINC000037017122 296151561 /nfs/dbraw/zinc/15/15/61/296151561.db2.gz WHRMNNMLCDIVNK-VHSXEESVSA-N 1 2 275.312 2.135 20 5 CEBDLO COC(=O)[C@@H](C)[N@H+](C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000361193602 371706693 /nfs/dbraw/zinc/70/66/93/371706693.db2.gz HKGVOOIQHGWACC-NXIHDVOMSA-N 1 2 292.335 2.491 20 5 CEBDLO COC(=O)[C@@H](C)[N@@H+](C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000361193602 371706697 /nfs/dbraw/zinc/70/66/97/371706697.db2.gz HKGVOOIQHGWACC-NXIHDVOMSA-N 1 2 292.335 2.491 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCN(C)[C@@H](C)[C@H]1C ZINC000361152111 371683115 /nfs/dbraw/zinc/68/31/15/371683115.db2.gz HZXDHLUXZXOPDG-QWHCGFSZSA-N 1 2 277.368 2.428 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCN(C)[C@@H](C)[C@H]1C ZINC000361152111 371683122 /nfs/dbraw/zinc/68/31/22/371683122.db2.gz HZXDHLUXZXOPDG-QWHCGFSZSA-N 1 2 277.368 2.428 20 5 CEBDLO CN(CCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1 ZINC000268943439 372296571 /nfs/dbraw/zinc/29/65/71/372296571.db2.gz GLBUDADOVKWYDN-UHFFFAOYSA-N 1 2 260.297 2.318 20 5 CEBDLO Cc1cc(C[N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)no1 ZINC000269682151 372530715 /nfs/dbraw/zinc/53/07/15/372530715.db2.gz YPOINHCWCBBGEH-CQSZACIVSA-N 1 2 291.307 2.057 20 5 CEBDLO Cc1cc(C[N@@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)no1 ZINC000269682151 372530717 /nfs/dbraw/zinc/53/07/17/372530717.db2.gz YPOINHCWCBBGEH-CQSZACIVSA-N 1 2 291.307 2.057 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000372314988 374095627 /nfs/dbraw/zinc/09/56/27/374095627.db2.gz JGRWKBXKNQYYPJ-HNNXBMFYSA-N 1 2 292.335 2.214 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000372314988 374095635 /nfs/dbraw/zinc/09/56/35/374095635.db2.gz JGRWKBXKNQYYPJ-HNNXBMFYSA-N 1 2 292.335 2.214 20 5 CEBDLO COC(=O)[C@H]1C[C@@H](C)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000274937438 374100251 /nfs/dbraw/zinc/10/02/51/374100251.db2.gz DLLDZOVEIBUKLD-SMDDNHRTSA-N 1 2 292.335 2.368 20 5 CEBDLO COC(=O)[C@H]1C[C@@H](C)CC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000274937438 374100263 /nfs/dbraw/zinc/10/02/63/374100263.db2.gz DLLDZOVEIBUKLD-SMDDNHRTSA-N 1 2 292.335 2.368 20 5 CEBDLO Cc1ccc(NCC2([NH+]3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000277456151 374527011 /nfs/dbraw/zinc/52/70/11/374527011.db2.gz OPPFVRQRXGLGSA-UHFFFAOYSA-N 1 2 291.351 2.180 20 5 CEBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000277584809 374571279 /nfs/dbraw/zinc/57/12/79/374571279.db2.gz WEHYQPYNJGRIAI-HTGLOVNISA-N 1 2 296.392 2.356 20 5 CEBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000277584809 374571286 /nfs/dbraw/zinc/57/12/86/374571286.db2.gz WEHYQPYNJGRIAI-HTGLOVNISA-N 1 2 296.392 2.356 20 5 CEBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000277581105 374570088 /nfs/dbraw/zinc/57/00/88/374570088.db2.gz VUCHFKBZRQHFRQ-FKANQGBASA-N 1 2 296.392 2.356 20 5 CEBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000277581105 374570090 /nfs/dbraw/zinc/57/00/90/374570090.db2.gz VUCHFKBZRQHFRQ-FKANQGBASA-N 1 2 296.392 2.356 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000408070503 375401469 /nfs/dbraw/zinc/40/14/69/375401469.db2.gz NMDOZKDVFYKFCM-CABCVRRESA-N 1 2 292.335 2.444 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000408070503 375401473 /nfs/dbraw/zinc/40/14/73/375401473.db2.gz NMDOZKDVFYKFCM-CABCVRRESA-N 1 2 292.335 2.444 20 5 CEBDLO Cc1cc([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])nn1C ZINC000282155395 375416501 /nfs/dbraw/zinc/41/65/01/375416501.db2.gz LKPVNGRVCZVEKI-NSHDSACASA-N 1 2 274.324 2.488 20 5 CEBDLO Cc1c(C[N@@H+]2CCC[C@](F)(CO)C2)cccc1[N+](=O)[O-] ZINC000287031882 376133569 /nfs/dbraw/zinc/13/35/69/376133569.db2.gz SLTFJFVICNKUAS-CQSZACIVSA-N 1 2 282.315 2.200 20 5 CEBDLO Cc1c(C[N@H+]2CCC[C@](F)(CO)C2)cccc1[N+](=O)[O-] ZINC000287031882 376133572 /nfs/dbraw/zinc/13/35/72/376133572.db2.gz SLTFJFVICNKUAS-CQSZACIVSA-N 1 2 282.315 2.200 20 5 CEBDLO CC[C@H](C)[N@H+](CCO)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000287231516 376181048 /nfs/dbraw/zinc/18/10/48/376181048.db2.gz FZOAPLSPOVZWEE-VIFPVBQESA-N 1 2 288.294 2.466 20 5 CEBDLO CC[C@H](C)[N@@H+](CCO)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000287231516 376181054 /nfs/dbraw/zinc/18/10/54/376181054.db2.gz FZOAPLSPOVZWEE-VIFPVBQESA-N 1 2 288.294 2.466 20 5 CEBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000277581117 296240640 /nfs/dbraw/zinc/24/06/40/296240640.db2.gz VUCHFKBZRQHFRQ-XAAFQQQXSA-N 1 2 296.392 2.356 20 5 CEBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000277581117 296240642 /nfs/dbraw/zinc/24/06/42/296240642.db2.gz VUCHFKBZRQHFRQ-XAAFQQQXSA-N 1 2 296.392 2.356 20 5 CEBDLO Cc1cc([N+](=O)[O-])cnc1NCc1cn2c([nH+]1)CCCC2 ZINC000264437528 190109162 /nfs/dbraw/zinc/10/91/62/190109162.db2.gz DXTHVAPNFMZAKC-UHFFFAOYSA-N 1 2 287.323 2.443 20 5 CEBDLO C[C@@H]1CC(O)C[C@@H](C)[NH+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330447366 377137827 /nfs/dbraw/zinc/13/78/27/377137827.db2.gz FYDSWAWBQNPXPN-NXEZZACHSA-N 1 2 280.324 2.034 20 5 CEBDLO Cc1cc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)on1 ZINC000332048899 377503851 /nfs/dbraw/zinc/50/38/51/377503851.db2.gz YUFPUPVTNPKMJR-UHFFFAOYSA-N 1 2 273.292 2.450 20 5 CEBDLO Cc1cc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)on1 ZINC000332048899 377503860 /nfs/dbraw/zinc/50/38/60/377503860.db2.gz YUFPUPVTNPKMJR-UHFFFAOYSA-N 1 2 273.292 2.450 20 5 CEBDLO CCn1cc[nH+]c1CNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000295823780 378319378 /nfs/dbraw/zinc/31/93/78/378319378.db2.gz UIBJVWZYZDFPDA-UHFFFAOYSA-N 1 2 288.307 2.050 20 5 CEBDLO CCn1cc[nH+]c1[C@H](C)Nc1ncc([N+](=O)[O-])c(C)n1 ZINC000450821862 378595748 /nfs/dbraw/zinc/59/57/48/378595748.db2.gz ARRMFJCMHMMEIB-VIFPVBQESA-N 1 2 276.300 2.083 20 5 CEBDLO Cc1cc(Nc2ncc([N+](=O)[O-])c(N)n2)ccc1[NH+](C)C ZINC000301156483 379206101 /nfs/dbraw/zinc/20/61/01/379206101.db2.gz NNRGAJNNLJQRTQ-UHFFFAOYSA-N 1 2 288.311 2.085 20 5 CEBDLO Cc1cc(C)c(CNC(=O)Cc2cccc([N+](=O)[O-])c2)c[nH+]1 ZINC000456850259 379571793 /nfs/dbraw/zinc/57/17/93/379571793.db2.gz WEGCANADVNWFJM-UHFFFAOYSA-N 1 2 299.330 2.466 20 5 CEBDLO Cc1nnc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)o1 ZINC000543546799 380327488 /nfs/dbraw/zinc/32/74/88/380327488.db2.gz XTYCJKCYFCGUPM-VIFPVBQESA-N 1 2 276.296 2.445 20 5 CEBDLO O=[N+]([O-])c1ccc(N2CCn3c[nH+]cc3C2)c2ncccc12 ZINC000377993018 285132508 /nfs/dbraw/zinc/13/25/08/285132508.db2.gz ROPALNPHIKHBGA-UHFFFAOYSA-N 1 2 295.302 2.360 20 5 CEBDLO COc1cc[nH+]cc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000353848697 220366101 /nfs/dbraw/zinc/36/61/01/220366101.db2.gz SGVKCWZYLCUYIO-UHFFFAOYSA-N 1 2 273.248 2.251 20 5 CEBDLO O=[N+]([O-])c1cnc(NCCCNc2cccc[nH+]2)s1 ZINC000190317600 130089385 /nfs/dbraw/zinc/08/93/85/130089385.db2.gz IFEPKTAWQLEPJX-UHFFFAOYSA-N 1 2 279.325 2.360 20 5 CEBDLO CC[C@@H](CO)Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413249113 394512745 /nfs/dbraw/zinc/51/27/45/394512745.db2.gz OWFYWKYATWCYIQ-JTQLQIEISA-N 1 2 261.281 2.326 20 5 CEBDLO C[C@H](CNc1ncc([N+](=O)[O-])cc1F)Cn1cc[nH+]c1 ZINC000413074583 394479240 /nfs/dbraw/zinc/47/92/40/394479240.db2.gz JXYLLDRBOKUYKG-SECBINFHSA-N 1 2 279.275 2.074 20 5 CEBDLO C[C@@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@H]1CO ZINC000413263716 394515113 /nfs/dbraw/zinc/51/51/13/394515113.db2.gz MVJLHRLMWCYQNY-PWSUYJOCSA-N 1 2 287.319 2.208 20 5 CEBDLO CC[C@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@@H]1O ZINC000413214709 394505458 /nfs/dbraw/zinc/50/54/58/394505458.db2.gz WNUQYOHIQFPLTI-HZMBPMFUSA-N 1 2 287.319 2.350 20 5 CEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCC[C@H]3CCOC3)c2c1 ZINC000413227949 394508044 /nfs/dbraw/zinc/50/80/44/394508044.db2.gz IRFOOWWPWAQTLD-NSHDSACASA-N 1 2 287.319 2.403 20 5 CEBDLO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1nncn1C ZINC000516663091 395182427 /nfs/dbraw/zinc/18/24/27/395182427.db2.gz DCLWEQFIGAMGGF-BXKDBHETSA-N 1 2 287.323 2.061 20 5 CEBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000355289998 395399104 /nfs/dbraw/zinc/39/91/04/395399104.db2.gz DPTNWZMWTXBKDK-UHFFFAOYSA-N 1 2 297.274 2.198 20 5 CEBDLO CC[C@@H](CO)[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000451160121 395586889 /nfs/dbraw/zinc/58/68/89/395586889.db2.gz SSIULZKHEHNONS-QMMMGPOBSA-N 1 2 274.267 2.076 20 5 CEBDLO CC[C@@H](CO)[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000451160121 395586891 /nfs/dbraw/zinc/58/68/91/395586891.db2.gz SSIULZKHEHNONS-QMMMGPOBSA-N 1 2 274.267 2.076 20 5 CEBDLO C[C@@H]1CSC[C@@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339193137 297188258 /nfs/dbraw/zinc/18/82/58/297188258.db2.gz SFHAGRPEKCUZHX-KCJUWKMLSA-N 1 2 268.338 2.142 20 5 CEBDLO COC[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CC(C)(C)O1 ZINC000284508568 196072895 /nfs/dbraw/zinc/07/28/95/196072895.db2.gz IUXUVADMOFWJTR-AWEZNQCLSA-N 1 2 294.351 2.221 20 5 CEBDLO COC[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC(C)(C)O1 ZINC000284508568 196072896 /nfs/dbraw/zinc/07/28/96/196072896.db2.gz IUXUVADMOFWJTR-AWEZNQCLSA-N 1 2 294.351 2.221 20 5 CEBDLO C[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1cnn(C)c1 ZINC000285479312 196297351 /nfs/dbraw/zinc/29/73/51/196297351.db2.gz COVJVPOSQQVGDM-QMMMGPOBSA-N 1 2 296.277 2.457 20 5 CEBDLO Cn1ccnc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000071140817 176039109 /nfs/dbraw/zinc/03/91/09/176039109.db2.gz UDWKAEGLCZOUCT-UHFFFAOYSA-N 1 2 280.715 2.272 20 5 CEBDLO Cn1cc[nH+]c1CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000071140817 176039110 /nfs/dbraw/zinc/03/91/10/176039110.db2.gz UDWKAEGLCZOUCT-UHFFFAOYSA-N 1 2 280.715 2.272 20 5 CEBDLO C[C@H]1COC[C@H](C)[NH+]1Cc1ccccc1[N+](=O)[O-] ZINC000077366577 177257914 /nfs/dbraw/zinc/25/79/14/177257914.db2.gz FYYUYRRQMCKPIA-QWRGUYRKSA-N 1 2 250.298 2.204 20 5 CEBDLO Cc1ccnc(N(C)CCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000268961350 270331102 /nfs/dbraw/zinc/33/11/02/270331102.db2.gz LHJLOCVVYBAJDZ-UHFFFAOYSA-N 1 2 275.312 2.021 20 5 CEBDLO COc1cc(C[N@@H+]2CCCO[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000184197425 277376538 /nfs/dbraw/zinc/37/65/38/277376538.db2.gz WZIDFHVGIMLQRX-JTQLQIEISA-N 1 2 298.314 2.353 20 5 CEBDLO COc1cc(C[N@H+]2CCCO[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000184197425 277376539 /nfs/dbraw/zinc/37/65/39/277376539.db2.gz WZIDFHVGIMLQRX-JTQLQIEISA-N 1 2 298.314 2.353 20 5 CEBDLO COC(=O)[C@@]1(F)CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000267665007 277378511 /nfs/dbraw/zinc/37/85/11/277378511.db2.gz NNZOJPIWLYALLN-QMTHXVAHSA-N 1 2 296.298 2.243 20 5 CEBDLO COC(=O)[C@@]1(F)CC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000267665007 277378512 /nfs/dbraw/zinc/37/85/12/277378512.db2.gz NNZOJPIWLYALLN-QMTHXVAHSA-N 1 2 296.298 2.243 20 5 CEBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H]1CCCCO1)CCO2 ZINC000352620612 280369919 /nfs/dbraw/zinc/36/99/19/280369919.db2.gz GIWAOBXKSFILRN-CQSZACIVSA-N 1 2 292.335 2.358 20 5 CEBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H]1CCCCO1)CCO2 ZINC000352620612 280369920 /nfs/dbraw/zinc/36/99/20/280369920.db2.gz GIWAOBXKSFILRN-CQSZACIVSA-N 1 2 292.335 2.358 20 5 CEBDLO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000423717677 281081676 /nfs/dbraw/zinc/08/16/76/281081676.db2.gz ANTPBZFQGQJDMJ-QMTHXVAHSA-N 1 2 293.323 2.147 20 5 CEBDLO CC(C)(C)c1nnc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000459710654 290215288 /nfs/dbraw/zinc/21/52/88/290215288.db2.gz QNGSYUBMVWDMNE-UHFFFAOYSA-N 1 2 289.339 2.300 20 5 CEBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](CC2(F)CC2)CC1 ZINC000527509149 313178763 /nfs/dbraw/zinc/17/87/63/313178763.db2.gz ORQLRTULPSRFKB-UHFFFAOYSA-N 1 2 279.315 2.219 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000577001413 314331454 /nfs/dbraw/zinc/33/14/54/314331454.db2.gz UHSFISHVPADLQN-LLVKDONJSA-N 1 2 292.335 2.301 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000577001413 314331457 /nfs/dbraw/zinc/33/14/57/314331457.db2.gz UHSFISHVPADLQN-LLVKDONJSA-N 1 2 292.335 2.301 20 5 CEBDLO Cc1ccc(C[N@@H+]2CCO[C@H](CF)C2)cc1[N+](=O)[O-] ZINC000414473606 533939195 /nfs/dbraw/zinc/93/91/95/533939195.db2.gz WFBRFVGHKJBMRJ-GFCCVEGCSA-N 1 2 268.288 2.074 20 5 CEBDLO Cc1ccc(C[N@H+]2CCO[C@H](CF)C2)cc1[N+](=O)[O-] ZINC000414473606 533939203 /nfs/dbraw/zinc/93/92/03/533939203.db2.gz WFBRFVGHKJBMRJ-GFCCVEGCSA-N 1 2 268.288 2.074 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC000412077724 534348971 /nfs/dbraw/zinc/34/89/71/534348971.db2.gz JNWGFDLHUWQHRS-SLEUVZQESA-N 1 2 294.351 2.046 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC000412077724 534348977 /nfs/dbraw/zinc/34/89/77/534348977.db2.gz JNWGFDLHUWQHRS-SLEUVZQESA-N 1 2 294.351 2.046 20 5 CEBDLO CCCNC(=O)C[N@H+](CCC)Cc1ccccc1[N+](=O)[O-] ZINC000052246561 519875898 /nfs/dbraw/zinc/87/58/98/519875898.db2.gz XFUBLLITCXLQRE-UHFFFAOYSA-N 1 2 293.367 2.333 20 5 CEBDLO CCCNC(=O)C[N@@H+](CCC)Cc1ccccc1[N+](=O)[O-] ZINC000052246561 519875900 /nfs/dbraw/zinc/87/59/00/519875900.db2.gz XFUBLLITCXLQRE-UHFFFAOYSA-N 1 2 293.367 2.333 20 5 CEBDLO O=[N+]([O-])c1cc(C[NH2+][C@H](CCO)c2ccco2)cs1 ZINC000184503843 527331476 /nfs/dbraw/zinc/33/14/76/527331476.db2.gz NDAGRUGGUKMOQP-SNVBAGLBSA-N 1 2 282.321 2.463 20 5 CEBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC2(C1)OCCO2 ZINC000160675848 623444116 /nfs/dbraw/zinc/44/41/16/623444116.db2.gz ZLSPRPNCKYKQEK-NSHDSACASA-N 1 2 278.308 2.105 20 5 CEBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC2(C1)OCCO2 ZINC000160675848 623444121 /nfs/dbraw/zinc/44/41/21/623444121.db2.gz ZLSPRPNCKYKQEK-NSHDSACASA-N 1 2 278.308 2.105 20 5 CEBDLO CC[C@@H]1C(=O)NCCC[N@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000933216973 623541627 /nfs/dbraw/zinc/54/16/27/623541627.db2.gz HXBSAWATMRSWRK-CYBMUJFWSA-N 1 2 291.351 2.004 20 5 CEBDLO CC[C@@H]1C(=O)NCCC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000933216973 623541631 /nfs/dbraw/zinc/54/16/31/623541631.db2.gz HXBSAWATMRSWRK-CYBMUJFWSA-N 1 2 291.351 2.004 20 5 CEBDLO Cc1nn(C[N@H+](C)CCc2ccccc2F)cc1[N+](=O)[O-] ZINC000779860697 624202772 /nfs/dbraw/zinc/20/27/72/624202772.db2.gz GSBFXVNBZJULBU-UHFFFAOYSA-N 1 2 292.314 2.371 20 5 CEBDLO Cc1nn(C[N@@H+](C)CCc2ccccc2F)cc1[N+](=O)[O-] ZINC000779860697 624202775 /nfs/dbraw/zinc/20/27/75/624202775.db2.gz GSBFXVNBZJULBU-UHFFFAOYSA-N 1 2 292.314 2.371 20 5 CEBDLO Cc1noc(C[N@@H+]2CC[C@H](C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000851874347 627744475 /nfs/dbraw/zinc/74/44/75/627744475.db2.gz DJDLTFBEAVRUDP-ZETCQYMHSA-N 1 2 279.218 2.275 20 5 CEBDLO Cc1noc(C[N@H+]2CC[C@H](C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000851874347 627744477 /nfs/dbraw/zinc/74/44/77/627744477.db2.gz DJDLTFBEAVRUDP-ZETCQYMHSA-N 1 2 279.218 2.275 20 5 CEBDLO CCC(=O)c1ccc(NC[C@H]2CC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000895771323 630339626 /nfs/dbraw/zinc/33/96/26/630339626.db2.gz XYJUMSSZCMMYID-LLVKDONJSA-N 1 2 277.324 2.304 20 5 CEBDLO CCC(=O)c1ccc(NC[C@H]2CC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000895771323 630339628 /nfs/dbraw/zinc/33/96/28/630339628.db2.gz XYJUMSSZCMMYID-LLVKDONJSA-N 1 2 277.324 2.304 20 5 CEBDLO Cc1ccc(CNc2cc(N(C)C)nc[nH+]2)cc1[N+](=O)[O-] ZINC000813354970 632679137 /nfs/dbraw/zinc/67/91/37/632679137.db2.gz QSGHUJDPIUWRHH-UHFFFAOYSA-N 1 2 287.323 2.371 20 5 CEBDLO Cc1ccc(CNc2cc(N(C)C)[nH+]cn2)cc1[N+](=O)[O-] ZINC000813354970 632679140 /nfs/dbraw/zinc/67/91/40/632679140.db2.gz QSGHUJDPIUWRHH-UHFFFAOYSA-N 1 2 287.323 2.371 20 5 CEBDLO Cc1cccc([C@H]([NH2+]CC[N+](=O)[O-])c2ccccn2)c1 ZINC000905187255 635856965 /nfs/dbraw/zinc/85/69/65/635856965.db2.gz BDABNRBRQLMZCJ-HNNXBMFYSA-N 1 2 271.320 2.346 20 5 CEBDLO Cc1nn(C[N@@H+]2CCS[C@H](C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000173478400 639859717 /nfs/dbraw/zinc/85/97/17/639859717.db2.gz GNVDPYRMJKZPCE-LBPRGKRZSA-N 1 2 298.412 2.439 20 5 CEBDLO Cc1nn(C[N@H+]2CCS[C@H](C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000173478400 639859720 /nfs/dbraw/zinc/85/97/20/639859720.db2.gz GNVDPYRMJKZPCE-LBPRGKRZSA-N 1 2 298.412 2.439 20 5 CEBDLO C[C@H](CC(=O)OCc1ccccc1[N+](=O)[O-])n1cc[nH+]c1 ZINC000845280684 640942838 /nfs/dbraw/zinc/94/28/38/640942838.db2.gz WUCKAMGOWJODRE-LLVKDONJSA-N 1 2 289.291 2.486 20 5 CEBDLO CC(C)OC[C@H]([NH3+])c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000849228286 642289158 /nfs/dbraw/zinc/28/91/58/642289158.db2.gz HMJORAIWMVIYBN-NSHDSACASA-N 1 2 292.295 2.070 20 5 CEBDLO CC(C)(COC(=O)c1ccc(-n2cc[nH+]c2)cc1)[N+](=O)[O-] ZINC000851127712 642928414 /nfs/dbraw/zinc/92/84/14/642928414.db2.gz TYBRWBRURNYDRN-UHFFFAOYSA-N 1 2 289.291 2.084 20 5 CEBDLO Cc1nn(C[N@H+]2CC=C(C)CC2)c(C)c1[N+](=O)[O-] ZINC000755757528 644556529 /nfs/dbraw/zinc/55/65/29/644556529.db2.gz IGEXVBRYUQYWKD-UHFFFAOYSA-N 1 2 250.302 2.018 20 5 CEBDLO Cc1nn(C[N@@H+]2CC=C(C)CC2)c(C)c1[N+](=O)[O-] ZINC000755757528 644556533 /nfs/dbraw/zinc/55/65/33/644556533.db2.gz IGEXVBRYUQYWKD-UHFFFAOYSA-N 1 2 250.302 2.018 20 5 CEBDLO O=C(NCc1cccc([N+](=O)[O-])c1)c1cccc2[nH+]ccn21 ZINC000776859757 647095112 /nfs/dbraw/zinc/09/51/12/647095112.db2.gz IIXTZSBXIRNFEI-UHFFFAOYSA-N 1 2 296.286 2.173 20 5 CEBDLO Cc1nn(C[NH+]2CCC(OC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000779866645 647367474 /nfs/dbraw/zinc/36/74/74/647367474.db2.gz JXFDJISFHLZDTF-UHFFFAOYSA-N 1 2 296.371 2.337 20 5 CEBDLO Cc1ccc(C(=O)OCc2cc[nH+]c(N)c2)cc1[N+](=O)[O-] ZINC000787572869 648119200 /nfs/dbraw/zinc/11/92/00/648119200.db2.gz PIRDJYGHIRCDRC-UHFFFAOYSA-N 1 2 287.275 2.237 20 5 CEBDLO Cc1nnc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)s1 ZINC000788737921 648219333 /nfs/dbraw/zinc/21/93/33/648219333.db2.gz ZOADZBUSRULOKL-ZETCQYMHSA-N 1 2 293.352 2.188 20 5 CEBDLO Cc1ncc([N+](=O)[O-])n1CCn1c[nH+]c(C(C)(C)C)c1 ZINC000871680863 649145065 /nfs/dbraw/zinc/14/50/65/649145065.db2.gz MOJPPPZUPOUKMB-UHFFFAOYSA-N 1 2 277.328 2.294 20 5 CEBDLO C[C@@H]([NH2+]Cc1cnn(C)c1)c1c(F)cccc1[N+](=O)[O-] ZINC000872024953 649244403 /nfs/dbraw/zinc/24/44/03/649244403.db2.gz XPSCVFGOJDXTSQ-SECBINFHSA-N 1 2 278.287 2.318 20 5 CEBDLO Cn1cccc1C[N@H+](C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000128261342 651397213 /nfs/dbraw/zinc/39/72/13/651397213.db2.gz ZOIRTLSSBDAGFX-UHFFFAOYSA-N 1 2 299.334 2.373 20 5 CEBDLO Cn1cccc1C[N@@H+](C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000128261342 651397216 /nfs/dbraw/zinc/39/72/16/651397216.db2.gz ZOIRTLSSBDAGFX-UHFFFAOYSA-N 1 2 299.334 2.373 20 5 CEBDLO Cc1noc(-c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000113743384 810310628 /nfs/dbraw/zinc/31/06/28/810310628.db2.gz SNQLPXZCCXHCGC-UHFFFAOYSA-N 1 2 271.236 2.139 20 5 CEBDLO CCC[C@@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000449255704 282160086 /nfs/dbraw/zinc/16/00/86/282160086.db2.gz GGFMXUHYLFBBSU-DGCLKSJQSA-N 1 2 294.351 2.457 20 5 CEBDLO COc1cc(C[N@@H+]2CC[C@@H](F)C2)c([N+](=O)[O-])cc1OC ZINC000449390689 282213688 /nfs/dbraw/zinc/21/36/88/282213688.db2.gz WNHHTADIOWMCPW-SNVBAGLBSA-N 1 2 284.287 2.156 20 5 CEBDLO COc1cc(C[N@H+]2CC[C@@H](F)C2)c([N+](=O)[O-])cc1OC ZINC000449390689 282213690 /nfs/dbraw/zinc/21/36/90/282213690.db2.gz WNHHTADIOWMCPW-SNVBAGLBSA-N 1 2 284.287 2.156 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000028984285 343398246 /nfs/dbraw/zinc/39/82/46/343398246.db2.gz LAQGCTKKEJEHSF-WDEREUQCSA-N 1 2 280.324 2.213 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000028984285 343398248 /nfs/dbraw/zinc/39/82/48/343398248.db2.gz LAQGCTKKEJEHSF-WDEREUQCSA-N 1 2 280.324 2.213 20 5 CEBDLO CN(C)c1[nH+]cccc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000047976198 362235415 /nfs/dbraw/zinc/23/54/15/362235415.db2.gz HGJMMSZHNBXGAV-UHFFFAOYSA-N 1 2 286.291 2.308 20 5 CEBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000047028502 343509978 /nfs/dbraw/zinc/50/99/78/343509978.db2.gz RPPXOHRROOTAGN-JTQLQIEISA-N 1 2 289.295 2.002 20 5 CEBDLO CC(C)[C@H](CNc1ccc([N+](=O)[O-])s1)[NH+]1CCOCC1 ZINC000048999606 343533973 /nfs/dbraw/zinc/53/39/73/343533973.db2.gz HLXYGULQMDGPSM-NSHDSACASA-N 1 2 299.396 2.425 20 5 CEBDLO C[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@H](C)CO1 ZINC000051475064 343550967 /nfs/dbraw/zinc/55/09/67/343550967.db2.gz SBSYNUWAZMQRGP-VXGBXAGGSA-N 1 2 280.324 2.083 20 5 CEBDLO C[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@H](C)CO1 ZINC000051475064 343550968 /nfs/dbraw/zinc/55/09/68/343550968.db2.gz SBSYNUWAZMQRGP-VXGBXAGGSA-N 1 2 280.324 2.083 20 5 CEBDLO CCN(CC)C(=O)C[N@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000050508078 343544995 /nfs/dbraw/zinc/54/49/95/343544995.db2.gz IYXVREZOASIZJZ-LBPRGKRZSA-N 1 2 293.367 2.456 20 5 CEBDLO CCN(CC)C(=O)C[N@@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000050508078 343544996 /nfs/dbraw/zinc/54/49/96/343544996.db2.gz IYXVREZOASIZJZ-LBPRGKRZSA-N 1 2 293.367 2.456 20 5 CEBDLO O=[N+]([O-])c1cccnc1NCC[NH+]1Cc2ccccc2C1 ZINC000068321472 343761281 /nfs/dbraw/zinc/76/12/81/343761281.db2.gz CLMCTUXVPJABKA-UHFFFAOYSA-N 1 2 284.319 2.418 20 5 CEBDLO Cc1cnc(N2CCC[C@@H]2Cn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000267345220 344662868 /nfs/dbraw/zinc/66/28/68/344662868.db2.gz FHWOOIIZEABSFW-GFCCVEGCSA-N 1 2 287.323 2.164 20 5 CEBDLO Cn1c[nH+]c(CCNc2c(Cl)cncc2[N+](=O)[O-])c1 ZINC000313482470 344742715 /nfs/dbraw/zinc/74/27/15/344742715.db2.gz ODKUENBRQHKWBO-UHFFFAOYSA-N 1 2 281.703 2.031 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1oc(C)nc1C ZINC000315014065 344747089 /nfs/dbraw/zinc/74/70/89/344747089.db2.gz XTDLNAIIGIURAX-UHFFFAOYSA-N 1 2 291.307 2.498 20 5 CEBDLO CCOc1ccc([N+](=O)[O-])cc1CNc1c[nH]c[nH+]1 ZINC000589514337 345085343 /nfs/dbraw/zinc/08/53/43/345085343.db2.gz XTWPAGLXDXMWOC-UHFFFAOYSA-N 1 2 262.269 2.329 20 5 CEBDLO Cn1cnc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000589938008 345105126 /nfs/dbraw/zinc/10/51/26/345105126.db2.gz JCEFWBFYRZSVAG-UHFFFAOYSA-N 1 2 274.324 2.353 20 5 CEBDLO O=[N+]([O-])c1cc(F)ccc1N1CCc2[nH+]c[nH]c2C1 ZINC000590567407 345145844 /nfs/dbraw/zinc/14/58/44/345145844.db2.gz BRQCFLTXIHNQSN-UHFFFAOYSA-N 1 2 262.244 2.020 20 5 CEBDLO C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1nccn1C ZINC000594995988 345723472 /nfs/dbraw/zinc/72/34/72/345723472.db2.gz PQVMCLUSTZQUNB-QMMMGPOBSA-N 1 2 266.326 2.241 20 5 CEBDLO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595558704 345812921 /nfs/dbraw/zinc/81/29/21/345812921.db2.gz PJLKZKOURANUCD-MNOVXSKESA-N 1 2 283.328 2.281 20 5 CEBDLO CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595558704 345812923 /nfs/dbraw/zinc/81/29/23/345812923.db2.gz PJLKZKOURANUCD-MNOVXSKESA-N 1 2 283.328 2.281 20 5 CEBDLO CN(Cc1csc([N+](=O)[O-])c1)Cc1c[nH+]c[nH]1 ZINC000595595018 345821234 /nfs/dbraw/zinc/82/12/34/345821234.db2.gz AORWLKBKWKAJCB-UHFFFAOYSA-N 1 2 252.299 2.011 20 5 CEBDLO CN(Cc1csc([N+](=O)[O-])c1)Cc1c[nH]c[nH+]1 ZINC000595595018 345821235 /nfs/dbraw/zinc/82/12/35/345821235.db2.gz AORWLKBKWKAJCB-UHFFFAOYSA-N 1 2 252.299 2.011 20 5 CEBDLO C[C@@H](CO)[C@H]1CCCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000595674590 345844870 /nfs/dbraw/zinc/84/48/70/345844870.db2.gz LUKAVKWFWKPAAY-SMDDNHRTSA-N 1 2 294.351 2.283 20 5 CEBDLO C[C@@H](CO)[C@H]1CCCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000595674590 345844872 /nfs/dbraw/zinc/84/48/72/345844872.db2.gz LUKAVKWFWKPAAY-SMDDNHRTSA-N 1 2 294.351 2.283 20 5 CEBDLO C[C@@]1(C(F)F)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000595918361 345913283 /nfs/dbraw/zinc/91/32/83/345913283.db2.gz XPFPZIYQRRTJLO-ZDUSSCGKSA-N 1 2 286.278 2.451 20 5 CEBDLO C[C@@]1(C(F)F)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000595918361 345913284 /nfs/dbraw/zinc/91/32/84/345913284.db2.gz XPFPZIYQRRTJLO-ZDUSSCGKSA-N 1 2 286.278 2.451 20 5 CEBDLO Cc1cc(NCC[N@@H+]2CCO[C@H](C)C2)c([N+](=O)[O-])s1 ZINC000596102795 345940283 /nfs/dbraw/zinc/94/02/83/345940283.db2.gz YNYMTLXAPXOZKX-SECBINFHSA-N 1 2 285.369 2.097 20 5 CEBDLO Cc1cc(NCC[N@H+]2CCO[C@H](C)C2)c([N+](=O)[O-])s1 ZINC000596102795 345940287 /nfs/dbraw/zinc/94/02/87/345940287.db2.gz YNYMTLXAPXOZKX-SECBINFHSA-N 1 2 285.369 2.097 20 5 CEBDLO CCn1cc[nH+]c1[C@H](C)Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596258140 345982816 /nfs/dbraw/zinc/98/28/16/345982816.db2.gz VBWAVKVMSXFMIS-QMMMGPOBSA-N 1 2 277.284 2.085 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000596432713 346022619 /nfs/dbraw/zinc/02/26/19/346022619.db2.gz SCINMWZLDOMRQF-STQMWFEESA-N 1 2 293.367 2.424 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000596432713 346022622 /nfs/dbraw/zinc/02/26/22/346022622.db2.gz SCINMWZLDOMRQF-STQMWFEESA-N 1 2 293.367 2.424 20 5 CEBDLO C[C@@H](Nc1ncc([N+](=O)[O-])cc1F)c1[nH+]ccn1C ZINC000596540104 346049993 /nfs/dbraw/zinc/04/99/93/346049993.db2.gz DHXTUVQZCSLBPD-SSDOTTSWSA-N 1 2 265.248 2.036 20 5 CEBDLO CCn1nc(C)c([N+](=O)[O-])c1N[C@H](C)c1[nH+]ccn1C ZINC000596539712 346049239 /nfs/dbraw/zinc/04/92/39/346049239.db2.gz BJASISSDFJCICJ-SECBINFHSA-N 1 2 278.316 2.026 20 5 CEBDLO O=[N+]([O-])c1c(N[C@@H]2CCOC2)ccc2c[nH+]ccc21 ZINC000599057007 346453620 /nfs/dbraw/zinc/45/36/20/346453620.db2.gz BDEIGIBKQFTAEN-SNVBAGLBSA-N 1 2 259.265 2.344 20 5 CEBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCO[C@@H](CF)C1 ZINC000599085781 346457952 /nfs/dbraw/zinc/45/79/52/346457952.db2.gz CTNLHTLBHWQQHJ-NSHDSACASA-N 1 2 291.282 2.318 20 5 CEBDLO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCO[C@H](CCF)C2)c1 ZINC000599641419 346552023 /nfs/dbraw/zinc/55/20/23/346552023.db2.gz HGMLQXYGCRXLOV-CQSZACIVSA-N 1 2 298.314 2.034 20 5 CEBDLO O=[N+]([O-])c1cccc(OCC[N@H+]2CCO[C@H](CCF)C2)c1 ZINC000599641419 346552025 /nfs/dbraw/zinc/55/20/25/346552025.db2.gz HGMLQXYGCRXLOV-CQSZACIVSA-N 1 2 298.314 2.034 20 5 CEBDLO CC(C)OC(=O)[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602679360 347140736 /nfs/dbraw/zinc/14/07/36/347140736.db2.gz DTECKDQZKVSBCB-NSHDSACASA-N 1 2 280.324 2.067 20 5 CEBDLO COCc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)no1 ZINC000603425772 347367892 /nfs/dbraw/zinc/36/78/92/347367892.db2.gz YKQQNJUOVICDFS-UHFFFAOYSA-N 1 2 277.280 2.019 20 5 CEBDLO CCOC(=O)C[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000128545211 187376938 /nfs/dbraw/zinc/37/69/38/187376938.db2.gz HSAPVZOCCSYEGV-SOFGYWHQSA-N 1 2 278.308 2.103 20 5 CEBDLO CCOC(=O)C[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000128545211 187376940 /nfs/dbraw/zinc/37/69/40/187376940.db2.gz HSAPVZOCCSYEGV-SOFGYWHQSA-N 1 2 278.308 2.103 20 5 CEBDLO CN(CCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])s1 ZINC000610856386 347718139 /nfs/dbraw/zinc/71/81/39/347718139.db2.gz ABYHEFWQKGPRTO-UHFFFAOYSA-N 1 2 266.326 2.379 20 5 CEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H]2CCC[C@@H]21 ZINC000610585514 347694308 /nfs/dbraw/zinc/69/43/08/347694308.db2.gz RNERTACHLQEUSD-WZRBSPASSA-N 1 2 289.335 2.406 20 5 CEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H]2CCC[C@@H]21 ZINC000610585514 347694310 /nfs/dbraw/zinc/69/43/10/347694310.db2.gz RNERTACHLQEUSD-WZRBSPASSA-N 1 2 289.335 2.406 20 5 CEBDLO O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc2[nH+]ccn2c1 ZINC000610228384 347665061 /nfs/dbraw/zinc/66/50/61/347665061.db2.gz RIEXTZSZTUZIMP-UHFFFAOYSA-N 1 2 296.286 2.424 20 5 CEBDLO CC[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@H](C)O ZINC000352210299 219362383 /nfs/dbraw/zinc/36/23/83/219362383.db2.gz FUWPCDIOLIPUBY-QMMMGPOBSA-N 1 2 274.267 2.076 20 5 CEBDLO CC[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@H](C)O ZINC000352210299 219362385 /nfs/dbraw/zinc/36/23/85/219362385.db2.gz FUWPCDIOLIPUBY-QMMMGPOBSA-N 1 2 274.267 2.076 20 5 CEBDLO COCC[C@@H]1COCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000291160818 197936780 /nfs/dbraw/zinc/93/67/80/197936780.db2.gz CIWPPZKXECVVNI-OAHLLOKOSA-N 1 2 294.351 2.141 20 5 CEBDLO COCC[C@@H]1COCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000291160818 197936782 /nfs/dbraw/zinc/93/67/82/197936782.db2.gz CIWPPZKXECVVNI-OAHLLOKOSA-N 1 2 294.351 2.141 20 5 CEBDLO COc1ccc(C[N@@H+]2CCOC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000154185369 188128732 /nfs/dbraw/zinc/12/87/32/188128732.db2.gz GXWFSEMZKYTZKN-UHFFFAOYSA-N 1 2 292.335 2.358 20 5 CEBDLO COc1ccc(C[N@H+]2CCOC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000154185369 188128733 /nfs/dbraw/zinc/12/87/33/188128733.db2.gz GXWFSEMZKYTZKN-UHFFFAOYSA-N 1 2 292.335 2.358 20 5 CEBDLO COC(=O)N1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000491950482 290555597 /nfs/dbraw/zinc/55/55/97/290555597.db2.gz ZHDMVDKFXQJRAQ-NSHDSACASA-N 1 2 293.323 2.040 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000578199594 366458741 /nfs/dbraw/zinc/45/87/41/366458741.db2.gz OUVYHTPYVGLEBS-UHFFFAOYSA-N 1 2 288.307 2.291 20 5 CEBDLO CC(C)(O)C1C[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000297448386 200193501 /nfs/dbraw/zinc/19/35/01/200193501.db2.gz QJIPZEXHEZBDQS-UHFFFAOYSA-N 1 2 284.743 2.451 20 5 CEBDLO O=[N+]([O-])c1ccc(OC2C[NH+](C[C@H]3CCC=CO3)C2)cc1 ZINC000297511845 200214768 /nfs/dbraw/zinc/21/47/68/200214768.db2.gz XGHZBGJCIGWWQE-CQSZACIVSA-N 1 2 290.319 2.351 20 5 CEBDLO Cn1cccc1C[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000297496491 200210901 /nfs/dbraw/zinc/21/09/01/200210901.db2.gz VRBRLIOREZNBRZ-UHFFFAOYSA-N 1 2 287.319 2.197 20 5 CEBDLO C[C@@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000140786351 366564275 /nfs/dbraw/zinc/56/42/75/366564275.db2.gz JEOCCVFELMJRCQ-SSDOTTSWSA-N 1 2 294.698 2.462 20 5 CEBDLO Cc1c[nH+]ccc1CCNc1ccc([N+](=O)[O-])nc1 ZINC000339055593 366632809 /nfs/dbraw/zinc/63/28/09/366632809.db2.gz ZASYTLMCYSLUPV-UHFFFAOYSA-N 1 2 258.281 2.348 20 5 CEBDLO Cc1c([C@H](C)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])cnn1C ZINC000339086518 366647077 /nfs/dbraw/zinc/64/70/77/366647077.db2.gz NEZQNXOWIOWLSA-VIFPVBQESA-N 1 2 290.323 2.193 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000015254609 361467951 /nfs/dbraw/zinc/46/79/51/361467951.db2.gz HDRNXCCFQADXON-QWRGUYRKSA-N 1 2 280.324 2.213 20 5 CEBDLO Cc1ccnc(N[C@@H]2CCN(c3cccc[nH+]3)C2)c1[N+](=O)[O-] ZINC000301767589 201184029 /nfs/dbraw/zinc/18/40/29/201184029.db2.gz IMBKDQCSLRHMOO-GFCCVEGCSA-N 1 2 299.334 2.384 20 5 CEBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000090007877 364032952 /nfs/dbraw/zinc/03/29/52/364032952.db2.gz REOPYEMASSLNTM-CQSZACIVSA-N 1 2 262.309 2.206 20 5 CEBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000090007877 364032957 /nfs/dbraw/zinc/03/29/57/364032957.db2.gz REOPYEMASSLNTM-CQSZACIVSA-N 1 2 262.309 2.206 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000090009239 364034181 /nfs/dbraw/zinc/03/41/81/364034181.db2.gz ZSJZMFSUIXZXFQ-AWEZNQCLSA-N 1 2 292.335 2.214 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCOC[C@H]1C1CC1 ZINC000090009239 364034185 /nfs/dbraw/zinc/03/41/85/364034185.db2.gz ZSJZMFSUIXZXFQ-AWEZNQCLSA-N 1 2 292.335 2.214 20 5 CEBDLO Cn1c[nH+]cc1CNc1ccc([N+](=O)[O-])cc1F ZINC000090167156 364044183 /nfs/dbraw/zinc/04/41/83/364044183.db2.gz YRLHLBDHLFWYQC-UHFFFAOYSA-N 1 2 250.233 2.080 20 5 CEBDLO C[C@H]1c2ccccc2CC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000331914782 291318337 /nfs/dbraw/zinc/31/83/37/291318337.db2.gz DAPDFUGJQMDDLC-NSHDSACASA-N 1 2 286.335 2.448 20 5 CEBDLO C[C@H]1c2ccccc2CC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000331914782 291318338 /nfs/dbraw/zinc/31/83/38/291318338.db2.gz DAPDFUGJQMDDLC-NSHDSACASA-N 1 2 286.335 2.448 20 5 CEBDLO COc1cccc([N+](=O)[O-])c1NCCCn1cc[nH+]c1 ZINC000583960010 367120192 /nfs/dbraw/zinc/12/01/92/367120192.db2.gz CQGREGWPLNSKTR-UHFFFAOYSA-N 1 2 276.296 2.302 20 5 CEBDLO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@H](O)C1CC1 ZINC000586766163 367188335 /nfs/dbraw/zinc/18/83/35/367188335.db2.gz RNEDAHHYTGYSLY-ZDUSSCGKSA-N 1 2 286.278 2.076 20 5 CEBDLO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@H](O)C1CC1 ZINC000586766163 367188343 /nfs/dbraw/zinc/18/83/43/367188343.db2.gz RNEDAHHYTGYSLY-ZDUSSCGKSA-N 1 2 286.278 2.076 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1-c1nc(Cc2c[nH+]cn2C)no1 ZINC000357937919 370842898 /nfs/dbraw/zinc/84/28/98/370842898.db2.gz RJZJBEUKPQTUII-UHFFFAOYSA-N 1 2 299.290 2.278 20 5 CEBDLO COc1cc[nH+]cc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000346707091 368782124 /nfs/dbraw/zinc/78/21/24/368782124.db2.gz PSRMSYYALIYBFB-UHFFFAOYSA-N 1 2 287.275 2.180 20 5 CEBDLO CCCN1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000189216944 369477472 /nfs/dbraw/zinc/47/74/72/369477472.db2.gz UBTUVBPJNHZRLJ-UHFFFAOYSA-N 1 2 291.351 2.039 20 5 CEBDLO CCCN1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000189216944 369477475 /nfs/dbraw/zinc/47/74/75/369477475.db2.gz UBTUVBPJNHZRLJ-UHFFFAOYSA-N 1 2 291.351 2.039 20 5 CEBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@@H](C)C1 ZINC000249102217 371295030 /nfs/dbraw/zinc/29/50/30/371295030.db2.gz DYZGMRZZVKPJMF-WDEREUQCSA-N 1 2 250.298 2.377 20 5 CEBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@@H](C)C1 ZINC000249102217 371295033 /nfs/dbraw/zinc/29/50/33/371295033.db2.gz DYZGMRZZVKPJMF-WDEREUQCSA-N 1 2 250.298 2.377 20 5 CEBDLO CCn1c(C)nc([N+](=O)[O-])c1NCCc1cc[nH+]cc1C ZINC000361042282 371616144 /nfs/dbraw/zinc/61/61/44/371616144.db2.gz JYJMVPMVXAHXCR-UHFFFAOYSA-N 1 2 289.339 2.478 20 5 CEBDLO CCc1nnc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])[nH]1 ZINC000274571624 373965456 /nfs/dbraw/zinc/96/54/56/373965456.db2.gz FQAOZEUTEZVKNE-VIFPVBQESA-N 1 2 275.312 2.126 20 5 CEBDLO CC(C)OC[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000372123798 374048501 /nfs/dbraw/zinc/04/85/01/374048501.db2.gz CJKXCJVXPXXTIP-OAHLLOKOSA-N 1 2 294.351 2.221 20 5 CEBDLO CC(C)OC[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000372123798 374048505 /nfs/dbraw/zinc/04/85/05/374048505.db2.gz CJKXCJVXPXXTIP-OAHLLOKOSA-N 1 2 294.351 2.221 20 5 CEBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000277220289 374443647 /nfs/dbraw/zinc/44/36/47/374443647.db2.gz NXBYHIWPKKXJLC-FKANQGBASA-N 1 2 296.392 2.499 20 5 CEBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000277220289 374443651 /nfs/dbraw/zinc/44/36/51/374443651.db2.gz NXBYHIWPKKXJLC-FKANQGBASA-N 1 2 296.392 2.499 20 5 CEBDLO CN(CC[NH+]1CCOCC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000279503039 374897745 /nfs/dbraw/zinc/89/77/45/374897745.db2.gz QROXBWKXTJFHMQ-UHFFFAOYSA-N 1 2 299.758 2.017 20 5 CEBDLO C[C@@H]([NH+]=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1)[C@@H]1CCCOC1 ZINC000388891633 375296807 /nfs/dbraw/zinc/29/68/07/375296807.db2.gz LFPVNQDWXZHLII-NXEZZACHSA-N 1 2 290.323 2.120 20 5 CEBDLO CCOC(=O)[C@H](C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282343633 375461220 /nfs/dbraw/zinc/46/12/20/375461220.db2.gz CAWJRLYPYFKRBP-NSHDSACASA-N 1 2 280.324 2.021 20 5 CEBDLO CCOC(=O)[C@H](C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282343633 375461225 /nfs/dbraw/zinc/46/12/25/375461225.db2.gz CAWJRLYPYFKRBP-NSHDSACASA-N 1 2 280.324 2.021 20 5 CEBDLO CC(C)(C)n1ncnc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000282588090 375524907 /nfs/dbraw/zinc/52/49/07/375524907.db2.gz GMIUEYJFJIPWLC-UHFFFAOYSA-N 1 2 289.339 2.231 20 5 CEBDLO CCn1c(C)nc([N+](=O)[O-])c1NCCc1cccc(C)[nH+]1 ZINC000288378811 376376187 /nfs/dbraw/zinc/37/61/87/376376187.db2.gz IPGXTGCSFMLJCE-UHFFFAOYSA-N 1 2 289.339 2.478 20 5 CEBDLO Cc1cccc(NCC[N@@H+]2CCO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000558904501 376649844 /nfs/dbraw/zinc/64/98/44/376649844.db2.gz YVTYSJDUDLSVMS-LBPRGKRZSA-N 1 2 279.340 2.036 20 5 CEBDLO Cc1cccc(NCC[N@H+]2CCO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000558904501 376649850 /nfs/dbraw/zinc/64/98/50/376649850.db2.gz YVTYSJDUDLSVMS-LBPRGKRZSA-N 1 2 279.340 2.036 20 5 CEBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000330577867 377192848 /nfs/dbraw/zinc/19/28/48/377192848.db2.gz NPJCUSNCKQSIOE-SNVBAGLBSA-N 1 2 268.338 2.238 20 5 CEBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000330577867 377192855 /nfs/dbraw/zinc/19/28/55/377192855.db2.gz NPJCUSNCKQSIOE-SNVBAGLBSA-N 1 2 268.338 2.238 20 5 CEBDLO CCc1[nH+]c(C(C)C)ccc1Cn1cnc([N+](=O)[O-])n1 ZINC000292785664 377282206 /nfs/dbraw/zinc/28/22/06/377282206.db2.gz YWJVHMWFVOWVIJ-UHFFFAOYSA-N 1 2 275.312 2.315 20 5 CEBDLO Cc1nnc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)[nH]1 ZINC000293296313 377509195 /nfs/dbraw/zinc/50/91/95/377509195.db2.gz URKLJIBSKWNBGX-VIFPVBQESA-N 1 2 275.312 2.181 20 5 CEBDLO C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000331961951 377495898 /nfs/dbraw/zinc/49/58/98/377495898.db2.gz KGPBZNJGHHLDAI-LLVKDONJSA-N 1 2 286.335 2.275 20 5 CEBDLO C[C@@H]1Cc2ccccc2C[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000331961951 377495905 /nfs/dbraw/zinc/49/59/05/377495905.db2.gz KGPBZNJGHHLDAI-LLVKDONJSA-N 1 2 286.335 2.275 20 5 CEBDLO Cn1c[nH+]c(CCNc2c(F)cc([N+](=O)[O-])cc2F)c1 ZINC000313455317 249395449 /nfs/dbraw/zinc/39/54/49/249395449.db2.gz BUAQEXSCVWRXGQ-UHFFFAOYSA-N 1 2 282.250 2.261 20 5 CEBDLO O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2[nH]cc[nH+]2)cn1 ZINC000450425602 378410076 /nfs/dbraw/zinc/41/00/76/378410076.db2.gz NOKBPYNMINJHIH-SNVBAGLBSA-N 1 2 259.269 2.054 20 5 CEBDLO O=[N+]([O-])c1ccc(N2CCCC[C@H]2c2[nH]cc[nH+]2)cn1 ZINC000450369178 378379253 /nfs/dbraw/zinc/37/92/53/378379253.db2.gz NAHPPVVRSPEZSV-NSHDSACASA-N 1 2 273.296 2.445 20 5 CEBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@](F)(CO)C1 ZINC000347366062 218208071 /nfs/dbraw/zinc/20/80/71/218208071.db2.gz IKNABKQIXLJTKS-BXUZGUMPSA-N 1 2 282.315 2.452 20 5 CEBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@](F)(CO)C1 ZINC000347366062 218208074 /nfs/dbraw/zinc/20/80/74/218208074.db2.gz IKNABKQIXLJTKS-BXUZGUMPSA-N 1 2 282.315 2.452 20 5 CEBDLO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)c2[nH+]ccn21 ZINC000456356111 379403882 /nfs/dbraw/zinc/40/38/82/379403882.db2.gz RZUWCKVMOYRMSS-JOYOIKCWSA-N 1 2 286.291 2.227 20 5 CEBDLO Cn1cc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2F)cn1 ZINC000267005235 190296433 /nfs/dbraw/zinc/29/64/33/190296433.db2.gz FLDLOJRXRMGXPR-UHFFFAOYSA-N 1 2 278.287 2.099 20 5 CEBDLO Cn1cc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2F)cn1 ZINC000267005235 190296434 /nfs/dbraw/zinc/29/64/34/190296434.db2.gz FLDLOJRXRMGXPR-UHFFFAOYSA-N 1 2 278.287 2.099 20 5 CEBDLO Cc1cc(NC(=O)c2ccccc2[N+](=O)[O-])c(C)c[nH+]1 ZINC000536575081 380227761 /nfs/dbraw/zinc/22/77/61/380227761.db2.gz BTSWHBASXQGULX-UHFFFAOYSA-N 1 2 271.276 2.281 20 5 CEBDLO O=[N+]([O-])c1ccn(C2CCN(c3cccc[nH+]3)CC2)n1 ZINC000376117507 285167972 /nfs/dbraw/zinc/16/79/72/285167972.db2.gz SEPQQAKIDMUTIH-UHFFFAOYSA-N 1 2 273.296 2.028 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@H](CCO)CC1 ZINC000421024459 394469295 /nfs/dbraw/zinc/46/92/95/394469295.db2.gz XIYDQRTXNXEDAS-GFCCVEGCSA-N 1 2 294.351 2.285 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000421024459 394469298 /nfs/dbraw/zinc/46/92/98/394469298.db2.gz XIYDQRTXNXEDAS-GFCCVEGCSA-N 1 2 294.351 2.285 20 5 CEBDLO CC(C)NC(=O)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413045554 394473130 /nfs/dbraw/zinc/47/31/30/394473130.db2.gz YNFAVVXJGULMAW-UHFFFAOYSA-N 1 2 288.307 2.080 20 5 CEBDLO C[C@@H](CCO)Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413154149 394493178 /nfs/dbraw/zinc/49/31/78/394493178.db2.gz JFXMWFDDHPRVDU-VIFPVBQESA-N 1 2 261.281 2.326 20 5 CEBDLO COc1ccc(C[N@@H+]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000076431056 394618409 /nfs/dbraw/zinc/61/84/09/394618409.db2.gz SSXFCKNHYPJLHB-UHFFFAOYSA-N 1 2 280.324 2.214 20 5 CEBDLO COc1ccc(C[N@H+]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000076431056 394618411 /nfs/dbraw/zinc/61/84/11/394618411.db2.gz SSXFCKNHYPJLHB-UHFFFAOYSA-N 1 2 280.324 2.214 20 5 CEBDLO C[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ncn(C)n1 ZINC000436397772 395114306 /nfs/dbraw/zinc/11/43/06/395114306.db2.gz AODPJDCVZMITDK-JPVGGKMYSA-N 1 2 287.323 2.087 20 5 CEBDLO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192638638 395388861 /nfs/dbraw/zinc/38/88/61/395388861.db2.gz VFIZIARYBHDUNL-NSHDSACASA-N 1 2 293.367 2.330 20 5 CEBDLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192638638 395388865 /nfs/dbraw/zinc/38/88/65/395388865.db2.gz VFIZIARYBHDUNL-NSHDSACASA-N 1 2 293.367 2.330 20 5 CEBDLO Cc1cc(C[N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)ccc1F ZINC000444745293 395451283 /nfs/dbraw/zinc/45/12/83/395451283.db2.gz UEOKBGHIQBULGI-UHFFFAOYSA-N 1 2 292.314 2.408 20 5 CEBDLO Cc1cc(C[N@H+](C)Cc2c([N+](=O)[O-])ncn2C)ccc1F ZINC000444745293 395451288 /nfs/dbraw/zinc/45/12/88/395451288.db2.gz UEOKBGHIQBULGI-UHFFFAOYSA-N 1 2 292.314 2.408 20 5 CEBDLO C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])s2)c2[nH+]ccn21 ZINC000450836886 395578704 /nfs/dbraw/zinc/57/87/04/395578704.db2.gz ZRCBENVVLYTWSK-NKWVEPMBSA-N 1 2 265.298 2.366 20 5 CEBDLO COc1cc(C[N@@H+]2CC[C@@H](F)C2)ccc1[N+](=O)[O-] ZINC000451202308 395593660 /nfs/dbraw/zinc/59/36/60/395593660.db2.gz WYNASSOSPKOPCC-SNVBAGLBSA-N 1 2 254.261 2.147 20 5 CEBDLO COc1cc(C[N@H+]2CC[C@@H](F)C2)ccc1[N+](=O)[O-] ZINC000451202308 395593662 /nfs/dbraw/zinc/59/36/62/395593662.db2.gz WYNASSOSPKOPCC-SNVBAGLBSA-N 1 2 254.261 2.147 20 5 CEBDLO O=[N+]([O-])c1cc(C[N@H+]2C[C@H](O)C3(CC3)C2)ccc1Cl ZINC000375313188 157077365 /nfs/dbraw/zinc/07/73/65/157077365.db2.gz BYXHDESAXVVYBQ-LBPRGKRZSA-N 1 2 282.727 2.205 20 5 CEBDLO O=[N+]([O-])c1cc(C[N@@H+]2C[C@H](O)C3(CC3)C2)ccc1Cl ZINC000375313188 157077369 /nfs/dbraw/zinc/07/73/69/157077369.db2.gz BYXHDESAXVVYBQ-LBPRGKRZSA-N 1 2 282.727 2.205 20 5 CEBDLO COc1ccc(C[N@@H+]2CCO[C@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000375343741 157085083 /nfs/dbraw/zinc/08/50/83/157085083.db2.gz ZGPROVADLMYPQD-HNNXBMFYSA-N 1 2 292.335 2.214 20 5 CEBDLO COc1ccc(C[N@H+]2CCO[C@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000375343741 157085086 /nfs/dbraw/zinc/08/50/86/157085086.db2.gz ZGPROVADLMYPQD-HNNXBMFYSA-N 1 2 292.335 2.214 20 5 CEBDLO C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000339086576 287040348 /nfs/dbraw/zinc/04/03/48/287040348.db2.gz RZVUUEZOBADYBV-GHMZBOCLSA-N 1 2 280.324 2.205 20 5 CEBDLO CC(C)[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1nncn1C ZINC000285342455 196255051 /nfs/dbraw/zinc/25/50/51/196255051.db2.gz KQKXWVWCDGNWQO-ZDUSSCGKSA-N 1 2 289.339 2.210 20 5 CEBDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000071203129 176078710 /nfs/dbraw/zinc/07/87/10/176078710.db2.gz RMTCGVACRLXRHC-UHFFFAOYSA-N 1 2 294.698 2.244 20 5 CEBDLO CN(C)c1[nH+]cccc1CNc1ncc([N+](=O)[O-])s1 ZINC000190316114 270267785 /nfs/dbraw/zinc/26/77/85/270267785.db2.gz SWMLLYYBGAPONY-UHFFFAOYSA-N 1 2 279.325 2.124 20 5 CEBDLO CC[C@@H](C)[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000347994089 276522652 /nfs/dbraw/zinc/52/26/52/276522652.db2.gz DKNWQXIRMNDDGD-BXUZGUMPSA-N 1 2 294.351 2.315 20 5 CEBDLO C[C@@H](C[C@H]1CCCO1)[NH+]=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000447677618 281855794 /nfs/dbraw/zinc/85/57/94/281855794.db2.gz VMIPJMNWUDRJAQ-GXSJLCMTSA-N 1 2 290.323 2.263 20 5 CEBDLO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC(F)F ZINC000459551379 290176663 /nfs/dbraw/zinc/17/66/63/290176663.db2.gz VSLIXGFFBRGJKG-MRVPVSSYSA-N 1 2 287.266 2.167 20 5 CEBDLO COc1cccc([N+](=O)[O-])c1N(C)CCCn1cc[nH+]c1 ZINC000516088461 297586839 /nfs/dbraw/zinc/58/68/39/297586839.db2.gz MAILQZHFQFJOBV-UHFFFAOYSA-N 1 2 290.323 2.326 20 5 CEBDLO C[C@@H](Cn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])cc1F ZINC000049236072 524965411 /nfs/dbraw/zinc/96/54/11/524965411.db2.gz ZEHRCFNVXXYWAZ-VIFPVBQESA-N 1 2 264.260 2.431 20 5 CEBDLO CCn1ccc(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)n1 ZINC000414480035 529170864 /nfs/dbraw/zinc/17/08/64/529170864.db2.gz JPUXUQZGNLAHIV-UHFFFAOYSA-N 1 2 290.323 2.110 20 5 CEBDLO O=[N+]([O-])c1ccc(NCc2ccnc(-n3cc[nH+]c3)c2)cn1 ZINC000735486973 574759297 /nfs/dbraw/zinc/75/92/97/574759297.db2.gz NHUOKXXQZWYWQU-UHFFFAOYSA-N 1 2 296.290 2.183 20 5 CEBDLO C[N@@H+]1CCCC[C@H]1C(=O)OCc1csc([N+](=O)[O-])c1 ZINC000745083763 575132417 /nfs/dbraw/zinc/13/24/17/575132417.db2.gz YEZINMRLCWDFBR-JTQLQIEISA-N 1 2 284.337 2.184 20 5 CEBDLO C[N@H+]1CCCC[C@H]1C(=O)OCc1csc([N+](=O)[O-])c1 ZINC000745083763 575132418 /nfs/dbraw/zinc/13/24/18/575132418.db2.gz YEZINMRLCWDFBR-JTQLQIEISA-N 1 2 284.337 2.184 20 5 CEBDLO C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])Cc2c[nH]nc21 ZINC000931453568 628585269 /nfs/dbraw/zinc/58/52/69/628585269.db2.gz NBUMTCWJEWEGTR-SNVBAGLBSA-N 1 2 272.308 2.437 20 5 CEBDLO C[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])Cc2c[nH]nc21 ZINC000931453568 628585271 /nfs/dbraw/zinc/58/52/71/628585271.db2.gz NBUMTCWJEWEGTR-SNVBAGLBSA-N 1 2 272.308 2.437 20 5 CEBDLO O=[N+]([O-])c1ccc(COc2cc[nH+]cc2)c([N+](=O)[O-])c1 ZINC000814265397 632820190 /nfs/dbraw/zinc/82/01/90/632820190.db2.gz KPEDWWKHUAFLMO-UHFFFAOYSA-N 1 2 275.220 2.477 20 5 CEBDLO C[C@H](CC(=O)OCc1ccc([N+](=O)[O-])cc1)n1cc[nH+]c1 ZINC000844288811 640660381 /nfs/dbraw/zinc/66/03/81/640660381.db2.gz VMDQYDBRKWPZDV-LLVKDONJSA-N 1 2 289.291 2.486 20 5 CEBDLO Cc1ccc(C[NH2+][C@@H](C(N)=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000131328844 652416357 /nfs/dbraw/zinc/41/63/57/652416357.db2.gz SXLZGBSMBXBKLQ-OAHLLOKOSA-N 1 2 299.330 2.219 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(NCC(C)(C)n2cc[nH+]c2)n1 ZINC000692661942 803749263 /nfs/dbraw/zinc/74/92/63/803749263.db2.gz NAXYTAFRIYBNHV-UHFFFAOYSA-N 1 2 275.312 2.342 20 5 CEBDLO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1cn(C)nn1 ZINC000715883585 815001371 /nfs/dbraw/zinc/00/13/71/815001371.db2.gz WTWGKAMAYRXTOL-NXEZZACHSA-N 1 2 275.312 2.135 20 5 CEBDLO COc1ccc(C[C@@H](C)[N@@H+]2CCOC[C@H]2C)c([N+](=O)[O-])c1 ZINC001170329817 812389614 /nfs/dbraw/zinc/38/96/14/812389614.db2.gz VCEVSBWXEGGHCR-VXGBXAGGSA-N 1 2 294.351 2.255 20 5 CEBDLO COc1ccc(C[C@@H](C)[N@H+]2CCOC[C@H]2C)c([N+](=O)[O-])c1 ZINC001170329817 812389624 /nfs/dbraw/zinc/38/96/24/812389624.db2.gz VCEVSBWXEGGHCR-VXGBXAGGSA-N 1 2 294.351 2.255 20 5 CEBDLO C[C@@H](CNc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCOCC1 ZINC000046483290 362183653 /nfs/dbraw/zinc/18/36/53/362183653.db2.gz SVWNJOHKJWXGDN-JTQLQIEISA-N 1 2 299.758 2.381 20 5 CEBDLO CCn1cc([C@@H](C)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])cn1 ZINC000449668117 282323922 /nfs/dbraw/zinc/32/39/22/282323922.db2.gz KCWQJIKIDKPSFC-SNVBAGLBSA-N 1 2 290.323 2.368 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+](CCCCO)C1CC1 ZINC000093382990 344222338 /nfs/dbraw/zinc/22/23/38/344222338.db2.gz HLLGLIFANKGICY-UHFFFAOYSA-N 1 2 280.324 2.037 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+](CCCCO)C1CC1 ZINC000093382990 344222339 /nfs/dbraw/zinc/22/23/39/344222339.db2.gz HLLGLIFANKGICY-UHFFFAOYSA-N 1 2 280.324 2.037 20 5 CEBDLO Cc1ccc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000140832659 344399408 /nfs/dbraw/zinc/39/94/08/344399408.db2.gz KXXIEGIUGQRMPD-SECBINFHSA-N 1 2 274.280 2.117 20 5 CEBDLO COC(=O)c1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])o1 ZINC000050015620 362389268 /nfs/dbraw/zinc/38/92/68/362389268.db2.gz JVJBVMAPVMAMBQ-UHFFFAOYSA-N 1 2 290.275 2.264 20 5 CEBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000584662906 344974922 /nfs/dbraw/zinc/97/49/22/344974922.db2.gz OMNPKMGPBHALTG-LBPRGKRZSA-N 1 2 291.351 2.490 20 5 CEBDLO C[C@H](Cn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])s1 ZINC000589559038 345086448 /nfs/dbraw/zinc/08/64/48/345086448.db2.gz ZVOCMWCCAZHQLH-MRVPVSSYSA-N 1 2 252.299 2.353 20 5 CEBDLO CCOc1cc(N2CCc3[nH+]c[nH]c3C2)ccc1[N+](=O)[O-] ZINC000590567435 345145863 /nfs/dbraw/zinc/14/58/63/345145863.db2.gz DRKCYQZVXBEKLW-UHFFFAOYSA-N 1 2 288.307 2.279 20 5 CEBDLO Cc1nnsc1C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000593017897 345423757 /nfs/dbraw/zinc/42/37/57/345423757.db2.gz HCQKTLMGYHOEAZ-UHFFFAOYSA-N 1 2 290.348 2.313 20 5 CEBDLO Cc1nnsc1C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000593017897 345423759 /nfs/dbraw/zinc/42/37/59/345423759.db2.gz HCQKTLMGYHOEAZ-UHFFFAOYSA-N 1 2 290.348 2.313 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1C[C@@H](C)n2ncnc21 ZINC000594957492 345716347 /nfs/dbraw/zinc/71/63/47/345716347.db2.gz PZNFTQMTPONNAP-ZWNOBZJWSA-N 1 2 287.323 2.290 20 5 CEBDLO Cc1noc(C[NH+]2C[C@@H](C)S[C@H](C)C2)c1[N+](=O)[O-] ZINC000595327355 345762245 /nfs/dbraw/zinc/76/22/45/345762245.db2.gz QOGPPTMXLVYNCE-HTQZYQBOSA-N 1 2 271.342 2.217 20 5 CEBDLO Cc1noc(C[NH2+][C@@H](C)c2ccccn2)c1[N+](=O)[O-] ZINC000595426948 345779760 /nfs/dbraw/zinc/77/97/60/345779760.db2.gz UPFQAIMPHQLUIV-QMMMGPOBSA-N 1 2 262.269 2.137 20 5 CEBDLO CCOCC[NH+]1CCN(c2cc(C)sc2[N+](=O)[O-])CC1 ZINC000596114101 345942817 /nfs/dbraw/zinc/94/28/17/345942817.db2.gz ITHXGKATPHBNLU-UHFFFAOYSA-N 1 2 299.396 2.123 20 5 CEBDLO Cc1cc(SC[C@@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])s1 ZINC000596286792 345991679 /nfs/dbraw/zinc/99/16/79/345991679.db2.gz VUKSAUQVRRQTHQ-VIFPVBQESA-N 1 2 288.394 2.387 20 5 CEBDLO Cc1cc(SC[C@@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])s1 ZINC000596286792 345991682 /nfs/dbraw/zinc/99/16/82/345991682.db2.gz VUKSAUQVRRQTHQ-VIFPVBQESA-N 1 2 288.394 2.387 20 5 CEBDLO CC1(C)OCC[C@H]1C[NH+]=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000596542374 346050689 /nfs/dbraw/zinc/05/06/89/346050689.db2.gz HGURVWOCYPQDMZ-VIFPVBQESA-N 1 2 290.323 2.120 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCc2nccnc2C1 ZINC000597234888 346157356 /nfs/dbraw/zinc/15/73/56/346157356.db2.gz CRBCPIGUNVNVHD-UHFFFAOYSA-N 1 2 284.319 2.252 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCc2nccnc2C1 ZINC000597234888 346157357 /nfs/dbraw/zinc/15/73/57/346157357.db2.gz CRBCPIGUNVNVHD-UHFFFAOYSA-N 1 2 284.319 2.252 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000598465342 346361164 /nfs/dbraw/zinc/36/11/64/346361164.db2.gz QKZWJRDBKAFQEM-SNVBAGLBSA-N 1 2 288.307 2.128 20 5 CEBDLO C[C@@H](CO)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599027331 346449221 /nfs/dbraw/zinc/44/92/21/346449221.db2.gz MJJXZDWHIRVHNY-SECBINFHSA-N 1 2 261.281 2.183 20 5 CEBDLO CN(CC(C)(C)O)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599045579 346451951 /nfs/dbraw/zinc/45/19/51/346451951.db2.gz YJXNWMNGPRATLA-UHFFFAOYSA-N 1 2 275.308 2.350 20 5 CEBDLO C[C@H](C[S@@](C)=O)Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599066651 346455168 /nfs/dbraw/zinc/45/51/68/346455168.db2.gz URVLHJMBTWXLHT-GSDQLPOLSA-N 1 2 293.348 2.322 20 5 CEBDLO C[C@@H]1C[C@H](O)CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599086157 346458173 /nfs/dbraw/zinc/45/81/73/346458173.db2.gz JXTUHJLMIWZNNN-PWSUYJOCSA-N 1 2 287.319 2.350 20 5 CEBDLO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCO[C@@H](CCF)C2)c1 ZINC000599641418 346551718 /nfs/dbraw/zinc/55/17/18/346551718.db2.gz HGMLQXYGCRXLOV-AWEZNQCLSA-N 1 2 298.314 2.034 20 5 CEBDLO O=[N+]([O-])c1cccc(OCC[N@H+]2CCO[C@@H](CCF)C2)c1 ZINC000599641418 346551719 /nfs/dbraw/zinc/55/17/19/346551719.db2.gz HGMLQXYGCRXLOV-AWEZNQCLSA-N 1 2 298.314 2.034 20 5 CEBDLO O=[N+]([O-])c1ccc2oc(C[NH+]3CC(C(F)F)C3)nc2c1 ZINC000602688629 347147887 /nfs/dbraw/zinc/14/78/87/347147887.db2.gz MWPZNXYKGGTWJK-UHFFFAOYSA-N 1 2 283.234 2.433 20 5 CEBDLO O=C(NCCCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1 ZINC000604197294 347406788 /nfs/dbraw/zinc/40/67/88/347406788.db2.gz ICNDYWNPMFFMOK-UHFFFAOYSA-N 1 2 288.307 2.002 20 5 CEBDLO Cc1ncc2c(n1)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000603661813 347382934 /nfs/dbraw/zinc/38/29/34/347382934.db2.gz MAPHHZSOWQWIJP-UHFFFAOYSA-N 1 2 284.319 2.252 20 5 CEBDLO Cc1ncc2c(n1)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000603661813 347382937 /nfs/dbraw/zinc/38/29/37/347382937.db2.gz MAPHHZSOWQWIJP-UHFFFAOYSA-N 1 2 284.319 2.252 20 5 CEBDLO CC1(C)C[N@H+](CCNc2sccc2[N+](=O)[O-])CCO1 ZINC000611412325 347776021 /nfs/dbraw/zinc/77/60/21/347776021.db2.gz PBTXCQOBKLZZBQ-UHFFFAOYSA-N 1 2 285.369 2.179 20 5 CEBDLO CC1(C)C[N@@H+](CCNc2sccc2[N+](=O)[O-])CCO1 ZINC000611412325 347776024 /nfs/dbraw/zinc/77/60/24/347776024.db2.gz PBTXCQOBKLZZBQ-UHFFFAOYSA-N 1 2 285.369 2.179 20 5 CEBDLO COc1ccc(NCc2ccc(C)c([N+](=O)[O-])c2)[nH+]c1 ZINC000610890380 347720894 /nfs/dbraw/zinc/72/08/94/347720894.db2.gz PMVQBPIOMDEDKJ-UHFFFAOYSA-N 1 2 273.292 2.341 20 5 CEBDLO CC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000611256703 347759177 /nfs/dbraw/zinc/75/91/77/347759177.db2.gz QJWQYMHIGIBDOG-NSHDSACASA-N 1 2 280.324 2.159 20 5 CEBDLO CC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000611256703 347759179 /nfs/dbraw/zinc/75/91/79/347759179.db2.gz QJWQYMHIGIBDOG-NSHDSACASA-N 1 2 280.324 2.159 20 5 CEBDLO O=C(C[N@H+]1CC=CCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000611517303 347789102 /nfs/dbraw/zinc/78/91/02/347789102.db2.gz PKMAPXSZBJPIRQ-UHFFFAOYSA-N 1 2 295.726 2.449 20 5 CEBDLO O=C(C[N@@H+]1CC=CCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000611517303 347789105 /nfs/dbraw/zinc/78/91/05/347789105.db2.gz PKMAPXSZBJPIRQ-UHFFFAOYSA-N 1 2 295.726 2.449 20 5 CEBDLO Cc1ccc(C[N@H+]2CCOC[C@@H]2C)cc1[N+](=O)[O-] ZINC000091814802 180261475 /nfs/dbraw/zinc/26/14/75/180261475.db2.gz RVUNZAJKCZLPJH-NSHDSACASA-N 1 2 250.298 2.124 20 5 CEBDLO Cc1ccc(C[N@@H+]2CCOC[C@@H]2C)cc1[N+](=O)[O-] ZINC000091814802 180261479 /nfs/dbraw/zinc/26/14/79/180261479.db2.gz RVUNZAJKCZLPJH-NSHDSACASA-N 1 2 250.298 2.124 20 5 CEBDLO Cc1ccc[nH+]c1CCCNc1ncc([N+](=O)[O-])s1 ZINC000450722427 282738519 /nfs/dbraw/zinc/73/85/19/282738519.db2.gz BQFILOAXAJJCEP-UHFFFAOYSA-N 1 2 278.337 2.221 20 5 CEBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@](C)(O)C(F)(F)F ZINC000337135093 366034555 /nfs/dbraw/zinc/03/45/55/366034555.db2.gz NPMMLJPTWFXGBA-LLVKDONJSA-N 1 2 292.257 2.340 20 5 CEBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@](C)(O)C(F)(F)F ZINC000337135093 366034558 /nfs/dbraw/zinc/03/45/58/366034558.db2.gz NPMMLJPTWFXGBA-LLVKDONJSA-N 1 2 292.257 2.340 20 5 CEBDLO Cc1nnc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)[nH]1 ZINC000292256576 198220171 /nfs/dbraw/zinc/22/01/71/198220171.db2.gz VFJBPVVDRDAZHN-UHFFFAOYSA-N 1 2 289.339 2.432 20 5 CEBDLO Cc1nnc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)[nH]1 ZINC000292256576 198220173 /nfs/dbraw/zinc/22/01/73/198220173.db2.gz VFJBPVVDRDAZHN-UHFFFAOYSA-N 1 2 289.339 2.432 20 5 CEBDLO Cc1nonc1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000271834991 191357983 /nfs/dbraw/zinc/35/79/83/191357983.db2.gz XUXDLLZXPWTORF-SECBINFHSA-N 1 2 276.296 2.445 20 5 CEBDLO CCn1cc[nH+]c1CNc1ncc(C)cc1[N+](=O)[O-] ZINC000294911858 199243508 /nfs/dbraw/zinc/24/35/08/199243508.db2.gz FTKIGZNYCMBHSJ-UHFFFAOYSA-N 1 2 261.285 2.127 20 5 CEBDLO CCn1cc[nH+]c1CNc1nc2sccn2c1[N+](=O)[O-] ZINC000294946764 199264285 /nfs/dbraw/zinc/26/42/85/199264285.db2.gz ISDNBUPJCKPIMT-UHFFFAOYSA-N 1 2 292.324 2.133 20 5 CEBDLO Cc1cc(OCc2c[nH+]cn2C)c(F)cc1[N+](=O)[O-] ZINC000274781595 192772698 /nfs/dbraw/zinc/77/26/98/192772698.db2.gz ZKABCGWIWAHYGT-UHFFFAOYSA-N 1 2 265.244 2.355 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000339010438 366613556 /nfs/dbraw/zinc/61/35/56/366613556.db2.gz BNVMWZMLLXNBIA-SMDDNHRTSA-N 1 2 292.335 2.301 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000339010438 366613562 /nfs/dbraw/zinc/61/35/62/366613562.db2.gz BNVMWZMLLXNBIA-SMDDNHRTSA-N 1 2 292.335 2.301 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000339050188 366630098 /nfs/dbraw/zinc/63/00/98/366630098.db2.gz FVTBMLXENPDABB-VXGBXAGGSA-N 1 2 292.335 2.159 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000339050188 366630101 /nfs/dbraw/zinc/63/01/01/366630101.db2.gz FVTBMLXENPDABB-VXGBXAGGSA-N 1 2 292.335 2.159 20 5 CEBDLO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000348289408 291271653 /nfs/dbraw/zinc/27/16/53/291271653.db2.gz XFJIWBPUBFKTLD-YUMQZZPRSA-N 1 2 292.261 2.101 20 5 CEBDLO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000348289408 291271656 /nfs/dbraw/zinc/27/16/56/291271656.db2.gz XFJIWBPUBFKTLD-YUMQZZPRSA-N 1 2 292.261 2.101 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000015254615 361467712 /nfs/dbraw/zinc/46/77/12/361467712.db2.gz HDRNXCCFQADXON-PHIMTYICSA-N 1 2 280.324 2.213 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000015254615 361467714 /nfs/dbraw/zinc/46/77/14/361467714.db2.gz HDRNXCCFQADXON-PHIMTYICSA-N 1 2 280.324 2.213 20 5 CEBDLO O=[N+]([O-])c1cn(Cc2[nH+]ccn2Cc2ccccc2)cn1 ZINC000026124870 361636006 /nfs/dbraw/zinc/63/60/06/361636006.db2.gz MAPFUIHUOSPBTB-UHFFFAOYSA-N 1 2 283.291 2.084 20 5 CEBDLO C[C@@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1nncn1C ZINC000093632875 364204361 /nfs/dbraw/zinc/20/43/61/364204361.db2.gz VVZMYKNDCDRELF-MRVPVSSYSA-N 1 2 295.730 2.228 20 5 CEBDLO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCO1 ZINC000094774302 364294366 /nfs/dbraw/zinc/29/43/66/364294366.db2.gz WEOGUPJZIROGST-LLVKDONJSA-N 1 2 268.288 2.345 20 5 CEBDLO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCO1 ZINC000094774302 364294372 /nfs/dbraw/zinc/29/43/72/364294372.db2.gz WEOGUPJZIROGST-LLVKDONJSA-N 1 2 268.288 2.345 20 5 CEBDLO Cn1cc(C[N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)cn1 ZINC000094774528 364295561 /nfs/dbraw/zinc/29/55/61/364295561.db2.gz DSLILXSSNGNZOU-UHFFFAOYSA-N 1 2 278.287 2.099 20 5 CEBDLO Cn1cc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)cn1 ZINC000094774528 364295567 /nfs/dbraw/zinc/29/55/67/364295567.db2.gz DSLILXSSNGNZOU-UHFFFAOYSA-N 1 2 278.287 2.099 20 5 CEBDLO C[C@H]([C@H](C)Nc1ccc([N+](=O)[O-])s1)[NH+]1CCOCC1 ZINC000609192978 367223610 /nfs/dbraw/zinc/22/36/10/367223610.db2.gz UUBMTNNXGPERAX-VHSXEESVSA-N 1 2 285.369 2.177 20 5 CEBDLO CNc1[nH+]cnc2c1cnn2CCc1ccc([N+](=O)[O-])cc1 ZINC000341286131 367267941 /nfs/dbraw/zinc/26/79/41/367267941.db2.gz QRPLFQZKKIMZFR-UHFFFAOYSA-N 1 2 298.306 2.019 20 5 CEBDLO Cc1cnc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)n1C ZINC000341362035 367304346 /nfs/dbraw/zinc/30/43/46/367304346.db2.gz AIUNYFZWCACPNQ-UHFFFAOYSA-N 1 2 274.324 2.235 20 5 CEBDLO Cc1c[nH+]c(CNCc2cccc([N+](=O)[O-])c2C)n1C ZINC000341362035 367304349 /nfs/dbraw/zinc/30/43/49/367304349.db2.gz AIUNYFZWCACPNQ-UHFFFAOYSA-N 1 2 274.324 2.235 20 5 CEBDLO O=[N+]([O-])c1ccc(N2CC[C@H](Oc3cc[nH+]cc3)C2)cn1 ZINC000345695639 368376188 /nfs/dbraw/zinc/37/61/88/368376188.db2.gz UMIYOGSZJGTDEH-ZDUSSCGKSA-N 1 2 286.291 2.043 20 5 CEBDLO Cc1ccc(-c2noc(Cc3c[nH+]cn3C)n2)cc1[N+](=O)[O-] ZINC000350407058 369533630 /nfs/dbraw/zinc/53/36/30/369533630.db2.gz NDXDBFISXQDQDJ-UHFFFAOYSA-N 1 2 299.290 2.278 20 5 CEBDLO C[C@H](Cn1cc[nH+]c1)Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352359225 369688871 /nfs/dbraw/zinc/68/88/71/369688871.db2.gz DMPRYGVPMSAOIM-LLVKDONJSA-N 1 2 297.318 2.262 20 5 CEBDLO CCn1ccnc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352544512 369780731 /nfs/dbraw/zinc/78/07/31/369780731.db2.gz RDTCNAQCGLEJOG-UHFFFAOYSA-N 1 2 288.351 2.486 20 5 CEBDLO CCn1ccnc1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352544512 369780737 /nfs/dbraw/zinc/78/07/37/369780737.db2.gz RDTCNAQCGLEJOG-UHFFFAOYSA-N 1 2 288.351 2.486 20 5 CEBDLO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCOc1ccccc1)CC2 ZINC000353032180 369993084 /nfs/dbraw/zinc/99/30/84/369993084.db2.gz GAWIWCPASNMDOW-UHFFFAOYSA-N 1 2 299.330 2.427 20 5 CEBDLO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCOc1ccccc1)CC2 ZINC000353032180 369993089 /nfs/dbraw/zinc/99/30/89/369993089.db2.gz GAWIWCPASNMDOW-UHFFFAOYSA-N 1 2 299.330 2.427 20 5 CEBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCSCC3)nc2c1 ZINC000332216276 204532400 /nfs/dbraw/zinc/53/24/00/204532400.db2.gz KRKZZXNCEIYPBB-UHFFFAOYSA-N 1 2 278.337 2.020 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)c1nncn1C ZINC000268944637 372298362 /nfs/dbraw/zinc/29/83/62/372298362.db2.gz WEQDQKOAWXQOQE-GHMZBOCLSA-N 1 2 289.339 2.444 20 5 CEBDLO O=[N+]([O-])c1ccc(NCCCNc2cccc[nH+]2)cn1 ZINC000344431213 217188799 /nfs/dbraw/zinc/18/87/99/217188799.db2.gz FDKBXRMTSNBETI-UHFFFAOYSA-N 1 2 273.296 2.299 20 5 CEBDLO O=[N+]([O-])c1cccnc1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000269846106 372578567 /nfs/dbraw/zinc/57/85/67/372578567.db2.gz DJRBSXUYVKOACK-NSHDSACASA-N 1 2 285.307 2.076 20 5 CEBDLO Cc1ccc(N(C)Cc2[nH+]ccn2C)c([N+](=O)[O-])c1 ZINC000270913502 373014691 /nfs/dbraw/zinc/01/46/91/373014691.db2.gz HVZXWLMBSJAXGT-UHFFFAOYSA-N 1 2 260.297 2.273 20 5 CEBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCO[C@H](C3CC3)C2)c1 ZINC000368872740 373282455 /nfs/dbraw/zinc/28/24/55/373282455.db2.gz NLAREIHMTXEFQM-AWEZNQCLSA-N 1 2 262.309 2.206 20 5 CEBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCO[C@H](C3CC3)C2)c1 ZINC000368872740 373282460 /nfs/dbraw/zinc/28/24/60/373282460.db2.gz NLAREIHMTXEFQM-AWEZNQCLSA-N 1 2 262.309 2.206 20 5 CEBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]2c2nccs2)n1 ZINC000370028439 373560612 /nfs/dbraw/zinc/56/06/12/373560612.db2.gz QDWBZQKBUKJBFJ-SNVBAGLBSA-N 1 2 293.352 2.085 20 5 CEBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H]2c2nccs2)n1 ZINC000370028439 373560620 /nfs/dbraw/zinc/56/06/20/373560620.db2.gz QDWBZQKBUKJBFJ-SNVBAGLBSA-N 1 2 293.352 2.085 20 5 CEBDLO COCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000272798385 373661720 /nfs/dbraw/zinc/66/17/20/373661720.db2.gz KQPBENUASJRICG-UHFFFAOYSA-N 1 2 258.705 2.326 20 5 CEBDLO COCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000272798385 373661723 /nfs/dbraw/zinc/66/17/23/373661723.db2.gz KQPBENUASJRICG-UHFFFAOYSA-N 1 2 258.705 2.326 20 5 CEBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000371520273 373909175 /nfs/dbraw/zinc/90/91/75/373909175.db2.gz RMOQDCKUZFHIEP-MRVPVSSYSA-N 1 2 292.320 2.357 20 5 CEBDLO CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1[nH]cc[nH+]1 ZINC000276714754 374275984 /nfs/dbraw/zinc/27/59/84/374275984.db2.gz ZXXMLBVWHCXQPH-LBPRGKRZSA-N 1 2 288.307 2.445 20 5 CEBDLO CCOc1cc(C[N@@H+]2CCOC[C@H]2C)ccc1[N+](=O)[O-] ZINC000276948827 374355529 /nfs/dbraw/zinc/35/55/29/374355529.db2.gz UAAVZQDCRSEQDI-LLVKDONJSA-N 1 2 280.324 2.214 20 5 CEBDLO CCOc1cc(C[N@H+]2CCOC[C@H]2C)ccc1[N+](=O)[O-] ZINC000276948827 374355538 /nfs/dbraw/zinc/35/55/38/374355538.db2.gz UAAVZQDCRSEQDI-LLVKDONJSA-N 1 2 280.324 2.214 20 5 CEBDLO O=[N+]([O-])c1cc(CNCC[N@H+]2CC=CCC2)cs1 ZINC000279880797 375018245 /nfs/dbraw/zinc/01/82/45/375018245.db2.gz UOWRHHUAXQRDRM-UHFFFAOYSA-N 1 2 267.354 2.008 20 5 CEBDLO O=[N+]([O-])c1cc(CNCC[N@@H+]2CC=CCC2)cs1 ZINC000279880797 375018248 /nfs/dbraw/zinc/01/82/48/375018248.db2.gz UOWRHHUAXQRDRM-UHFFFAOYSA-N 1 2 267.354 2.008 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000280658246 375274241 /nfs/dbraw/zinc/27/42/41/375274241.db2.gz DQRIAOJECIFSEM-HIFRSBDPSA-N 1 2 292.335 2.357 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000280658246 375274252 /nfs/dbraw/zinc/27/42/52/375274252.db2.gz DQRIAOJECIFSEM-HIFRSBDPSA-N 1 2 292.335 2.357 20 5 CEBDLO Cc1nc(N(C)CCc2cccc([N+](=O)[O-])c2)cc[nH+]1 ZINC000282300859 375451010 /nfs/dbraw/zinc/45/10/10/375451010.db2.gz RLCKFLXVJHSJPL-UHFFFAOYSA-N 1 2 272.308 2.372 20 5 CEBDLO COC1(C)CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413213747 375776074 /nfs/dbraw/zinc/77/60/74/375776074.db2.gz KBQWWPMUUHCGOU-UHFFFAOYSA-N 1 2 273.292 2.368 20 5 CEBDLO O=[N+]([O-])c1cccc(F)c1N1CC[NH+](C2CC2)CC1 ZINC000288378357 376375846 /nfs/dbraw/zinc/37/58/46/376375846.db2.gz KDZVNMCIROJFCT-UHFFFAOYSA-N 1 2 265.288 2.018 20 5 CEBDLO COc1cc(C[N@@H+]2CC[C@@]23CCOC3)c([N+](=O)[O-])cc1F ZINC000421008431 376785728 /nfs/dbraw/zinc/78/57/28/376785728.db2.gz ATTVJVRYPMIUCR-AWEZNQCLSA-N 1 2 296.298 2.107 20 5 CEBDLO COc1cc(C[N@H+]2CC[C@@]23CCOC3)c([N+](=O)[O-])cc1F ZINC000421008431 376785733 /nfs/dbraw/zinc/78/57/33/376785733.db2.gz ATTVJVRYPMIUCR-AWEZNQCLSA-N 1 2 296.298 2.107 20 5 CEBDLO C[C@@H](Cn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])c(N)c1F ZINC000290511374 376812323 /nfs/dbraw/zinc/81/23/23/376812323.db2.gz LTRWRCRAIMMGRY-QMMMGPOBSA-N 1 2 279.275 2.013 20 5 CEBDLO Cc1cc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)n(C)n1 ZINC000562804403 377004105 /nfs/dbraw/zinc/00/41/05/377004105.db2.gz DWSZUCINBBWUMV-UHFFFAOYSA-N 1 2 286.335 2.195 20 5 CEBDLO Cc1cc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)n(C)n1 ZINC000562804403 377004110 /nfs/dbraw/zinc/00/41/10/377004110.db2.gz DWSZUCINBBWUMV-UHFFFAOYSA-N 1 2 286.335 2.195 20 5 CEBDLO CC(C)(O)C1C[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000297437428 378684530 /nfs/dbraw/zinc/68/45/30/378684530.db2.gz PBZBMYBCJJZEPK-UHFFFAOYSA-N 1 2 284.743 2.451 20 5 CEBDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000278511961 194020665 /nfs/dbraw/zinc/02/06/65/194020665.db2.gz APRVDVXNPNGSRK-SECBINFHSA-N 1 2 288.307 2.046 20 5 CEBDLO Cc1[nH]c[nH+]c1CC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000278511961 194020667 /nfs/dbraw/zinc/02/06/67/194020667.db2.gz APRVDVXNPNGSRK-SECBINFHSA-N 1 2 288.307 2.046 20 5 CEBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000347366095 218207676 /nfs/dbraw/zinc/20/76/76/218207676.db2.gz IKNABKQIXLJTKS-RISCZKNCSA-N 1 2 282.315 2.452 20 5 CEBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@](F)(CO)C1 ZINC000347366095 218207678 /nfs/dbraw/zinc/20/76/78/218207678.db2.gz IKNABKQIXLJTKS-RISCZKNCSA-N 1 2 282.315 2.452 20 5 CEBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CC(n2ccnn2)C1 ZINC000347370195 218210792 /nfs/dbraw/zinc/21/07/92/218210792.db2.gz IXBJUCRVRFXWGT-GHXNOFRVSA-N 1 2 299.334 2.147 20 5 CEBDLO CCCn1ncnc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000279046711 194262055 /nfs/dbraw/zinc/26/20/55/194262055.db2.gz GRQKPGLRJDCTKN-LLVKDONJSA-N 1 2 289.339 2.447 20 5 CEBDLO C[C@@H](NC(=O)CCc1[nH]cc[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000279266172 194358804 /nfs/dbraw/zinc/35/88/04/194358804.db2.gz VQTBBGQTRMYILK-SNVBAGLBSA-N 1 2 288.307 2.128 20 5 CEBDLO CN(C)c1ccc(Nc2ncc([N+](=O)[O-])s2)c[nH+]1 ZINC000350472464 219026060 /nfs/dbraw/zinc/02/60/60/219026060.db2.gz DQINHJCWMOVORR-UHFFFAOYSA-N 1 2 265.298 2.256 20 5 CEBDLO C[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000247928522 131108058 /nfs/dbraw/zinc/10/80/58/131108058.db2.gz BOXVQDURJVUROZ-QWRGUYRKSA-N 1 2 250.298 2.204 20 5 CEBDLO C[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000247928522 131108059 /nfs/dbraw/zinc/10/80/59/131108059.db2.gz BOXVQDURJVUROZ-QWRGUYRKSA-N 1 2 250.298 2.204 20 5 CEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCC(F)(F)CO)c2c1 ZINC000413224205 394507505 /nfs/dbraw/zinc/50/75/05/394507505.db2.gz DMPUSHHEWMUBKR-UHFFFAOYSA-N 1 2 283.234 2.183 20 5 CEBDLO CCCCNC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599448 394510934 /nfs/dbraw/zinc/51/09/34/394510934.db2.gz LPJOUBPPROKZQV-GFCCVEGCSA-N 1 2 293.367 2.331 20 5 CEBDLO CCCCNC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599448 394510939 /nfs/dbraw/zinc/51/09/39/394510939.db2.gz LPJOUBPPROKZQV-GFCCVEGCSA-N 1 2 293.367 2.331 20 5 CEBDLO CC(=O)c1ccc(NCCc2cn(C)c[nH+]2)c([N+](=O)[O-])c1 ZINC000413386418 394541146 /nfs/dbraw/zinc/54/11/46/394541146.db2.gz UUFCVRVRDSRZLV-UHFFFAOYSA-N 1 2 288.307 2.186 20 5 CEBDLO CC(C)c1ccc(C[N@@H+]2CCNC(=O)CC2)cc1[N+](=O)[O-] ZINC000093101717 394664731 /nfs/dbraw/zinc/66/47/31/394664731.db2.gz JWJFSCQTPCPEHZ-UHFFFAOYSA-N 1 2 291.351 2.040 20 5 CEBDLO CC(C)c1ccc(C[N@H+]2CCNC(=O)CC2)cc1[N+](=O)[O-] ZINC000093101717 394664739 /nfs/dbraw/zinc/66/47/39/394664739.db2.gz JWJFSCQTPCPEHZ-UHFFFAOYSA-N 1 2 291.351 2.040 20 5 CEBDLO Cn1cccc1C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000093443825 394666273 /nfs/dbraw/zinc/66/62/73/394666273.db2.gz WMNRADUZLREXHG-UHFFFAOYSA-N 1 2 271.320 2.492 20 5 CEBDLO Cn1cccc1C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000093443825 394666275 /nfs/dbraw/zinc/66/62/75/394666275.db2.gz WMNRADUZLREXHG-UHFFFAOYSA-N 1 2 271.320 2.492 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H](CCO)c1ccco1 ZINC000339097821 394942861 /nfs/dbraw/zinc/94/28/61/394942861.db2.gz WKZMICOABYQDDJ-GFCCVEGCSA-N 1 2 292.291 2.107 20 5 CEBDLO Cc1ccc(C[N@@H+](C)Cc2ccnn2C)cc1[N+](=O)[O-] ZINC000355275408 395392679 /nfs/dbraw/zinc/39/26/79/395392679.db2.gz ANLARTQFLOYEJR-UHFFFAOYSA-N 1 2 274.324 2.269 20 5 CEBDLO Cc1ccc(C[N@H+](C)Cc2ccnn2C)cc1[N+](=O)[O-] ZINC000355275408 395392684 /nfs/dbraw/zinc/39/26/84/395392684.db2.gz ANLARTQFLOYEJR-UHFFFAOYSA-N 1 2 274.324 2.269 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(N2CCC(c3c[nH]c[nH+]3)CC2)n1 ZINC000370654203 292285157 /nfs/dbraw/zinc/28/51/57/292285157.db2.gz QWGLKCRXJCULLI-UHFFFAOYSA-N 1 2 287.323 2.405 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(N2CCC(c3c[nH+]c[nH]3)CC2)n1 ZINC000370654203 292285160 /nfs/dbraw/zinc/28/51/60/292285160.db2.gz QWGLKCRXJCULLI-UHFFFAOYSA-N 1 2 287.323 2.405 20 5 CEBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)OC(C)(C)C ZINC000285313593 196248378 /nfs/dbraw/zinc/24/83/78/196248378.db2.gz MHKONQLHCCDTMG-UHFFFAOYSA-N 1 2 294.351 2.411 20 5 CEBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)OC(C)(C)C ZINC000285313593 196248379 /nfs/dbraw/zinc/24/83/79/196248379.db2.gz MHKONQLHCCDTMG-UHFFFAOYSA-N 1 2 294.351 2.411 20 5 CEBDLO CC[C@@H]1C[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1O ZINC000285713926 196374961 /nfs/dbraw/zinc/37/49/61/196374961.db2.gz SMPVKCDVZDCHNY-OQPBUACISA-N 1 2 286.278 2.076 20 5 CEBDLO CC[C@@H]1C[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1O ZINC000285713926 196374964 /nfs/dbraw/zinc/37/49/64/196374964.db2.gz SMPVKCDVZDCHNY-OQPBUACISA-N 1 2 286.278 2.076 20 5 CEBDLO CN(Cc1cn2c([nH+]1)CCCC2)c1ccc([N+](=O)[O-])nc1 ZINC000428680047 271287511 /nfs/dbraw/zinc/28/75/11/271287511.db2.gz BHGCFWALNGJGKS-UHFFFAOYSA-N 1 2 287.323 2.159 20 5 CEBDLO CC(C)(CO)[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000339724636 275861780 /nfs/dbraw/zinc/86/17/80/275861780.db2.gz BGLPKERWIJMQKY-CQSZACIVSA-N 1 2 294.351 2.187 20 5 CEBDLO C[C@@H](O)CC[N@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000121332767 278391727 /nfs/dbraw/zinc/39/17/27/278391727.db2.gz LTMNEXXXEWLRIX-SECBINFHSA-N 1 2 272.732 2.451 20 5 CEBDLO C[C@@H](O)CC[N@@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000121332767 278391728 /nfs/dbraw/zinc/39/17/28/278391728.db2.gz LTMNEXXXEWLRIX-SECBINFHSA-N 1 2 272.732 2.451 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H](CO)c1ccsc1 ZINC000339096749 280368906 /nfs/dbraw/zinc/36/89/06/280368906.db2.gz RFIABMCAGFSODJ-GFCCVEGCSA-N 1 2 294.332 2.185 20 5 CEBDLO C[C@@]1(F)CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339059953 289186782 /nfs/dbraw/zinc/18/67/82/289186782.db2.gz CYUOXJYQRQKHTL-GFCCVEGCSA-N 1 2 254.261 2.234 20 5 CEBDLO C[C@@]1(F)CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339059953 289186784 /nfs/dbraw/zinc/18/67/84/289186784.db2.gz CYUOXJYQRQKHTL-GFCCVEGCSA-N 1 2 254.261 2.234 20 5 CEBDLO C[C@H]1C[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000456397461 289605334 /nfs/dbraw/zinc/60/53/34/289605334.db2.gz TWDWNSXVRRKDIC-IONNQARKSA-N 1 2 292.320 2.289 20 5 CEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC[C@@H](O)CC3)c2c1 ZINC000576565353 314288481 /nfs/dbraw/zinc/28/84/81/314288481.db2.gz PVWOFNMUYMIOBR-CYBMUJFWSA-N 1 2 287.319 2.494 20 5 CEBDLO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CC(C)C2)cc1[N+](=O)[O-] ZINC000583272076 322536239 /nfs/dbraw/zinc/53/62/39/322536239.db2.gz ZGKMFUAWTZRMOW-LLVKDONJSA-N 1 2 277.324 2.182 20 5 CEBDLO Cc1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1[N+](=O)[O-] ZINC000068300203 525617210 /nfs/dbraw/zinc/61/72/10/525617210.db2.gz NSEPQKFWMNERDW-UHFFFAOYSA-N 1 2 293.304 2.099 20 5 CEBDLO C[C@H](Nc1[nH+]cnc2c1cnn2C)c1cccc([N+](=O)[O-])c1 ZINC000052452228 525685840 /nfs/dbraw/zinc/68/58/40/525685840.db2.gz BOYRZNUGJYIEOW-VIFPVBQESA-N 1 2 298.306 2.445 20 5 CEBDLO C[N@@H+]1CCCC[C@@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1F ZINC000746984480 575166008 /nfs/dbraw/zinc/16/60/08/575166008.db2.gz OEUPPRDXOOCBIW-CYBMUJFWSA-N 1 2 296.298 2.261 20 5 CEBDLO C[N@H+]1CCCC[C@@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1F ZINC000746984480 575166009 /nfs/dbraw/zinc/16/60/09/575166009.db2.gz OEUPPRDXOOCBIW-CYBMUJFWSA-N 1 2 296.298 2.261 20 5 CEBDLO COc1cc[nH+]cc1NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000748209532 575180516 /nfs/dbraw/zinc/18/05/16/575180516.db2.gz YRDNDIVPXUJPHF-UHFFFAOYSA-N 1 2 291.238 2.390 20 5 CEBDLO Cc1nn(C[NH+]2CCC(F)(C3CC3)CC2)cc1[N+](=O)[O-] ZINC000902418057 634643680 /nfs/dbraw/zinc/64/36/80/634643680.db2.gz UUTJADGVUNUTEJ-UHFFFAOYSA-N 1 2 282.319 2.271 20 5 CEBDLO CCNc1cc(CNc2ncc([N+](=O)[O-])s2)cc[nH+]1 ZINC000894873343 629709319 /nfs/dbraw/zinc/70/93/19/629709319.db2.gz RGADBJZOPQXSCP-UHFFFAOYSA-N 1 2 279.325 2.490 20 5 CEBDLO CCn1c[nH+]c2c1CCN(c1nccc(C)c1[N+](=O)[O-])C2 ZINC000896660907 630623970 /nfs/dbraw/zinc/62/39/70/630623970.db2.gz VJCLVTYZYIRLOC-UHFFFAOYSA-N 1 2 287.323 2.077 20 5 CEBDLO C[C@H]([NH2+]Cc1cscn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815571378 633032492 /nfs/dbraw/zinc/03/24/92/633032492.db2.gz BYSGAXMUNIFPOX-QMMMGPOBSA-N 1 2 278.337 2.484 20 5 CEBDLO Cc1nn(C[N@@H+](C)C2CC(OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000817374382 633644704 /nfs/dbraw/zinc/64/47/04/633644704.db2.gz WNPKIJUPOZXPKY-UHFFFAOYSA-N 1 2 296.371 2.335 20 5 CEBDLO Cc1nn(C[N@H+](C)C2CC(OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000817374382 633644707 /nfs/dbraw/zinc/64/47/07/633644707.db2.gz WNPKIJUPOZXPKY-UHFFFAOYSA-N 1 2 296.371 2.335 20 5 CEBDLO Nc1ccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)nn1 ZINC000904308386 635558924 /nfs/dbraw/zinc/55/89/24/635558924.db2.gz PFBAGRQWSAASGY-UHFFFAOYSA-N 1 2 299.334 2.132 20 5 CEBDLO Nc1ccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)nn1 ZINC000904308386 635558929 /nfs/dbraw/zinc/55/89/29/635558929.db2.gz PFBAGRQWSAASGY-UHFFFAOYSA-N 1 2 299.334 2.132 20 5 CEBDLO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1cnn(C)n1 ZINC000924800568 635708283 /nfs/dbraw/zinc/70/82/83/635708283.db2.gz YXMWPIKEYWAGRT-NXEZZACHSA-N 1 2 275.312 2.135 20 5 CEBDLO O=C(OCC1CC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835084035 638054883 /nfs/dbraw/zinc/05/48/83/638054883.db2.gz JLPJCXKKLASNCM-UHFFFAOYSA-N 1 2 287.275 2.347 20 5 CEBDLO C[N@@H+]1CCCC[C@H]1C(=O)OCc1ccc(F)cc1[N+](=O)[O-] ZINC000849732522 642427362 /nfs/dbraw/zinc/42/73/62/642427362.db2.gz JQSCFLZOBOLRDD-LBPRGKRZSA-N 1 2 296.298 2.261 20 5 CEBDLO C[N@H+]1CCCC[C@H]1C(=O)OCc1ccc(F)cc1[N+](=O)[O-] ZINC000849732522 642427369 /nfs/dbraw/zinc/42/73/69/642427369.db2.gz JQSCFLZOBOLRDD-LBPRGKRZSA-N 1 2 296.298 2.261 20 5 CEBDLO Cc1cccc(C(=O)O[C@H]2CC[N@H+](CCF)C2)c1[N+](=O)[O-] ZINC000788080427 643342688 /nfs/dbraw/zinc/34/26/88/643342688.db2.gz KJBLZLQTAVDXFM-NSHDSACASA-N 1 2 296.298 2.104 20 5 CEBDLO Cc1cccc(C(=O)O[C@H]2CC[N@@H+](CCF)C2)c1[N+](=O)[O-] ZINC000788080427 643342691 /nfs/dbraw/zinc/34/26/91/643342691.db2.gz KJBLZLQTAVDXFM-NSHDSACASA-N 1 2 296.298 2.104 20 5 CEBDLO O=[N+]([O-])c1ccnn1C[NH+]1CCC(c2ccco2)CC1 ZINC000853527332 643802099 /nfs/dbraw/zinc/80/20/99/643802099.db2.gz UACYGSXGKUMBQV-UHFFFAOYSA-N 1 2 276.296 2.221 20 5 CEBDLO CCn1ncc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000858443572 645162157 /nfs/dbraw/zinc/16/21/57/645162157.db2.gz LKDBWHJTWZDXAI-SNVBAGLBSA-N 1 2 275.312 2.057 20 5 CEBDLO Cc1cnc(N[C@@H]2CCC[N@H+](CCF)C2)c([N+](=O)[O-])c1 ZINC000865927525 647538339 /nfs/dbraw/zinc/53/83/39/647538339.db2.gz CTEWJOSZBZAUKW-LLVKDONJSA-N 1 2 282.319 2.144 20 5 CEBDLO Cc1cnc(N[C@@H]2CCC[N@@H+](CCF)C2)c([N+](=O)[O-])c1 ZINC000865927525 647538344 /nfs/dbraw/zinc/53/83/44/647538344.db2.gz CTEWJOSZBZAUKW-LLVKDONJSA-N 1 2 282.319 2.144 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1C(=O)OCc1cc[nH+]c(N)c1 ZINC000787592802 648121040 /nfs/dbraw/zinc/12/10/40/648121040.db2.gz TUYLPOWGROGYGM-UHFFFAOYSA-N 1 2 287.275 2.237 20 5 CEBDLO O=[N+]([O-])c1cc(C[NH2+]Cc2cccnc2F)cs1 ZINC000793281539 648736510 /nfs/dbraw/zinc/73/65/10/648736510.db2.gz RETHMSAPNSSRDY-UHFFFAOYSA-N 1 2 267.285 2.480 20 5 CEBDLO O=[N+]([O-])c1cn(Cc2[nH+]ccn2CC(F)F)nc1C1CC1 ZINC000871667407 649140785 /nfs/dbraw/zinc/14/07/85/649140785.db2.gz JVWLLPXSJFYOBU-UHFFFAOYSA-N 1 2 297.265 2.179 20 5 CEBDLO CC[C@@H]1COCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1F ZINC000872772639 649482138 /nfs/dbraw/zinc/48/21/38/649482138.db2.gz XLABJFMDQRIVEZ-LLVKDONJSA-N 1 2 297.330 2.257 20 5 CEBDLO CC[C@@H]1COCC[N@H+]1CCNc1ccc([N+](=O)[O-])cc1F ZINC000872772639 649482140 /nfs/dbraw/zinc/48/21/40/649482140.db2.gz XLABJFMDQRIVEZ-LLVKDONJSA-N 1 2 297.330 2.257 20 5 CEBDLO CC[C@H]1COCC[N@@H+]1CCNc1ccc([N+](=O)[O-])s1 ZINC000872772682 649482198 /nfs/dbraw/zinc/48/21/98/649482198.db2.gz YVVPNBJSVNWAST-JTQLQIEISA-N 1 2 285.369 2.179 20 5 CEBDLO CC[C@H]1COCC[N@H+]1CCNc1ccc([N+](=O)[O-])s1 ZINC000872772682 649482199 /nfs/dbraw/zinc/48/21/99/649482199.db2.gz YVVPNBJSVNWAST-JTQLQIEISA-N 1 2 285.369 2.179 20 5 CEBDLO Cc1cn(C)nc1C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000723483515 802873088 /nfs/dbraw/zinc/87/30/88/802873088.db2.gz KDBKVLWADAPFLQ-LLVKDONJSA-N 1 2 274.324 2.488 20 5 CEBDLO CNC(=O)C[C@@H](C)Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413330175 529870007 /nfs/dbraw/zinc/87/00/07/529870007.db2.gz ZVXXWYQQGRIUSJ-SECBINFHSA-N 1 2 288.307 2.080 20 5 CEBDLO O=[N+]([O-])c1ccc(N2CCc3[nH+]c[nH]c3C2)c2ncccc12 ZINC000590567443 345145751 /nfs/dbraw/zinc/14/57/51/345145751.db2.gz FDQDESFVQYWNFE-UHFFFAOYSA-N 1 2 295.302 2.429 20 5 CEBDLO C[C@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C2(CCC2)CO1 ZINC000593092138 345436989 /nfs/dbraw/zinc/43/69/89/345436989.db2.gz NCXVARZGWPGTDL-NSHDSACASA-N 1 2 292.335 2.444 20 5 CEBDLO C[C@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C2(CCC2)CO1 ZINC000593092138 345436990 /nfs/dbraw/zinc/43/69/90/345436990.db2.gz NCXVARZGWPGTDL-NSHDSACASA-N 1 2 292.335 2.444 20 5 CEBDLO Cc1c[nH+]c(CCNc2cc(C)c([N+](=O)[O-])cn2)c(C)c1 ZINC000594595042 345655070 /nfs/dbraw/zinc/65/50/70/345655070.db2.gz GEYMMOTYVLLSHX-UHFFFAOYSA-N 1 2 286.335 2.387 20 5 CEBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2cn(C3CCC3)nn2)cc1 ZINC000594926858 345704807 /nfs/dbraw/zinc/70/48/07/345704807.db2.gz WMDBVPHEBDDJCZ-UHFFFAOYSA-N 1 2 287.323 2.201 20 5 CEBDLO C[C@@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)c2ncnn21 ZINC000594956150 345715612 /nfs/dbraw/zinc/71/56/12/345715612.db2.gz FXLKHLAUZUBBLC-VXNVDRBHSA-N 1 2 279.325 2.043 20 5 CEBDLO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c2ncnn21 ZINC000595064068 345738243 /nfs/dbraw/zinc/73/82/43/345738243.db2.gz CNDLSJYZGVUWSA-OASPWFOLSA-N 1 2 299.334 2.469 20 5 CEBDLO C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c2ncnn21 ZINC000595064065 345738260 /nfs/dbraw/zinc/73/82/60/345738260.db2.gz CNDLSJYZGVUWSA-JIMOISOXSA-N 1 2 299.334 2.469 20 5 CEBDLO Cc1noc(C[NH2+][C@@H](C)c2cnccc2C)c1[N+](=O)[O-] ZINC000595424620 345779149 /nfs/dbraw/zinc/77/91/49/345779149.db2.gz HMOOQEIWENNYRO-VIFPVBQESA-N 1 2 276.296 2.445 20 5 CEBDLO Cc1noc(C[N@@H+]2CCOCC3(CCCC3)C2)c1[N+](=O)[O-] ZINC000595442814 345783932 /nfs/dbraw/zinc/78/39/32/345783932.db2.gz WKXNQJVMAYKSAD-UHFFFAOYSA-N 1 2 295.339 2.284 20 5 CEBDLO Cc1noc(C[N@H+]2CCOCC3(CCCC3)C2)c1[N+](=O)[O-] ZINC000595442814 345783933 /nfs/dbraw/zinc/78/39/33/345783933.db2.gz WKXNQJVMAYKSAD-UHFFFAOYSA-N 1 2 295.339 2.284 20 5 CEBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000595533754 345804619 /nfs/dbraw/zinc/80/46/19/345804619.db2.gz MXGMAPOZHRDROS-QWRGUYRKSA-N 1 2 268.313 2.424 20 5 CEBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000595533754 345804623 /nfs/dbraw/zinc/80/46/23/345804623.db2.gz MXGMAPOZHRDROS-QWRGUYRKSA-N 1 2 268.313 2.424 20 5 CEBDLO Cc1cn2c([nH+]1)CN(c1c(Cl)cncc1[N+](=O)[O-])CC2 ZINC000596190714 345965490 /nfs/dbraw/zinc/96/54/90/345965490.db2.gz WSTPDBHTEMFMMF-UHFFFAOYSA-N 1 2 293.714 2.168 20 5 CEBDLO Cn1cc[nH+]c1Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000351699175 219179172 /nfs/dbraw/zinc/17/91/72/219179172.db2.gz HREHZLMKMXKEKA-UHFFFAOYSA-N 1 2 291.698 2.380 20 5 CEBDLO CN(c1ccc2c[nH+]ccc2c1[N+](=O)[O-])C1CC(O)C1 ZINC000599065961 346454946 /nfs/dbraw/zinc/45/49/46/346454946.db2.gz OAGXLESYYQELAA-UHFFFAOYSA-N 1 2 273.292 2.103 20 5 CEBDLO CCN(C)C(=O)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599069547 346455753 /nfs/dbraw/zinc/45/57/53/346455753.db2.gz HODVISORZPBZFP-UHFFFAOYSA-N 1 2 288.307 2.033 20 5 CEBDLO CN(CCCCO)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599082545 346457065 /nfs/dbraw/zinc/45/70/65/346457065.db2.gz YXSLGTYHWOFVRU-UHFFFAOYSA-N 1 2 275.308 2.352 20 5 CEBDLO Cc1cc[nH+]c([C@@H]2CCN(c3ncc([N+](=O)[O-])cn3)C2)c1 ZINC000599099206 346460431 /nfs/dbraw/zinc/46/04/31/346460431.db2.gz FUPTUQGMMKEOBD-LLVKDONJSA-N 1 2 285.307 2.082 20 5 CEBDLO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CC2(C1)CCCO2 ZINC000600189864 346619011 /nfs/dbraw/zinc/61/90/11/346619011.db2.gz MBBVHUSFWPONDU-UTCJRWHESA-N 1 2 274.320 2.473 20 5 CEBDLO C[C@@](CO)([NH2+]Cc1cscn1)c1cccc([N+](=O)[O-])c1 ZINC000601148636 346770141 /nfs/dbraw/zinc/77/01/41/346770141.db2.gz FZQFHGXRGXYQBZ-ZDUSSCGKSA-N 1 2 293.348 2.049 20 5 CEBDLO Cc1ccc2c(c1)CC[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])C2 ZINC000602630254 347112204 /nfs/dbraw/zinc/11/22/04/347112204.db2.gz ACTLTSWAXOMMRY-UHFFFAOYSA-N 1 2 286.335 2.195 20 5 CEBDLO Cc1ccc2c(c1)CC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])C2 ZINC000602630254 347112208 /nfs/dbraw/zinc/11/22/08/347112208.db2.gz ACTLTSWAXOMMRY-UHFFFAOYSA-N 1 2 286.335 2.195 20 5 CEBDLO Cc1ccnc(NCC(C)(C)n2cc[nH+]c2)c1[N+](=O)[O-] ZINC000601197473 346784237 /nfs/dbraw/zinc/78/42/37/346784237.db2.gz BICDYSLWURGOAT-UHFFFAOYSA-N 1 2 275.312 2.342 20 5 CEBDLO Cc1cnc(C(C)(C)[NH2+]Cc2cn(C)nc2[N+](=O)[O-])s1 ZINC000602812023 347210295 /nfs/dbraw/zinc/21/02/95/347210295.db2.gz RVJRKJCWESUTPU-UHFFFAOYSA-N 1 2 295.368 2.118 20 5 CEBDLO CC[C@]1(O)CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000351836172 219220062 /nfs/dbraw/zinc/22/00/62/219220062.db2.gz PSCYOYAZRKJILK-ZDUSSCGKSA-N 1 2 286.278 2.220 20 5 CEBDLO CC[C@]1(O)CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000351836172 219220065 /nfs/dbraw/zinc/22/00/65/219220065.db2.gz PSCYOYAZRKJILK-ZDUSSCGKSA-N 1 2 286.278 2.220 20 5 CEBDLO CN(Cc1[nH]cc[nH+]1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000611191104 347750210 /nfs/dbraw/zinc/75/02/10/347750210.db2.gz KITUPHAHQLGDHM-UHFFFAOYSA-N 1 2 264.260 2.089 20 5 CEBDLO C[C@@H]1COCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000618288427 348919994 /nfs/dbraw/zinc/91/99/94/348919994.db2.gz KYIWIIMKUYMUIP-SNVBAGLBSA-N 1 2 290.323 2.082 20 5 CEBDLO C[C@@H]1COCCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000618288427 348919995 /nfs/dbraw/zinc/91/99/95/348919995.db2.gz KYIWIIMKUYMUIP-SNVBAGLBSA-N 1 2 290.323 2.082 20 5 CEBDLO Cc1c[nH+]ccc1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000107038966 186157047 /nfs/dbraw/zinc/15/70/47/186157047.db2.gz GXBMCTQZHDLZJX-UHFFFAOYSA-N 1 2 272.264 2.133 20 5 CEBDLO Cc1c[nH+]ccc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000107285636 186165391 /nfs/dbraw/zinc/16/53/91/186165391.db2.gz HVCWGQJQMVUBSA-UHFFFAOYSA-N 1 2 272.264 2.254 20 5 CEBDLO CN(CCCn1cc[nH+]c1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000154788092 188161520 /nfs/dbraw/zinc/16/15/20/188161520.db2.gz BBTLGYICZWAGKW-UHFFFAOYSA-N 1 2 294.336 2.015 20 5 CEBDLO COc1ccc([N+](=O)[O-])c(N[C@H](C)Cn2cc[nH+]c2)c1 ZINC000133767639 366253391 /nfs/dbraw/zinc/25/33/91/366253391.db2.gz KBIDGHFGASGHQN-SNVBAGLBSA-N 1 2 276.296 2.301 20 5 CEBDLO C[C@@H]1C[C@@H](O)C[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000452068267 283176770 /nfs/dbraw/zinc/17/67/70/283176770.db2.gz KARZAMCOHKPURZ-PSASIEDQSA-N 1 2 286.278 2.076 20 5 CEBDLO C[C@@H]1C[C@@H](O)C[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000452068267 283176773 /nfs/dbraw/zinc/17/67/73/283176773.db2.gz KARZAMCOHKPURZ-PSASIEDQSA-N 1 2 286.278 2.076 20 5 CEBDLO CC(C)(C)OC(=O)C1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000297540507 200223485 /nfs/dbraw/zinc/22/34/85/200223485.db2.gz YOFLGCSIJXPBQW-UHFFFAOYSA-N 1 2 292.335 2.368 20 5 CEBDLO CNc1ccc(Nc2c(F)cccc2[N+](=O)[O-])c[nH+]1 ZINC000341725256 216079857 /nfs/dbraw/zinc/07/98/57/216079857.db2.gz YCWSPZRLOKHHMH-UHFFFAOYSA-N 1 2 262.244 2.336 20 5 CEBDLO CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000140456610 366560184 /nfs/dbraw/zinc/56/01/84/366560184.db2.gz HSGZGFTZLIILJC-LLVKDONJSA-N 1 2 274.280 2.199 20 5 CEBDLO CCOC(=O)C[C@@H](C)[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339085437 366646915 /nfs/dbraw/zinc/64/69/15/366646915.db2.gz WNKIULBUPAHVPN-SNVBAGLBSA-N 1 2 296.323 2.074 20 5 CEBDLO CCOC(=O)C[C@@H](C)[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339085437 366646919 /nfs/dbraw/zinc/64/69/19/366646919.db2.gz WNKIULBUPAHVPN-SNVBAGLBSA-N 1 2 296.323 2.074 20 5 CEBDLO COC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000094774204 364293875 /nfs/dbraw/zinc/29/38/75/364293875.db2.gz HUPFJSZOSZHTSK-UHFFFAOYSA-N 1 2 296.298 2.119 20 5 CEBDLO Cc1noc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000340427510 366881084 /nfs/dbraw/zinc/88/10/84/366881084.db2.gz QTCNLTHELWGMNO-MRVPVSSYSA-N 1 2 262.269 2.137 20 5 CEBDLO Cc1cc(NC[C@@H](C)O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000120436391 365424139 /nfs/dbraw/zinc/42/41/39/365424139.db2.gz DKBOBWDJDJRYFO-SNVBAGLBSA-N 1 2 288.307 2.153 20 5 CEBDLO Cc1cnc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)n1C ZINC000341015215 367133916 /nfs/dbraw/zinc/13/39/16/367133916.db2.gz QCUDQMXNMOKCIZ-LLVKDONJSA-N 1 2 274.324 2.488 20 5 CEBDLO Cc1c[nH+]c(CN[C@H](C)c2cccc([N+](=O)[O-])c2)n1C ZINC000341015215 367133921 /nfs/dbraw/zinc/13/39/21/367133921.db2.gz QCUDQMXNMOKCIZ-LLVKDONJSA-N 1 2 274.324 2.488 20 5 CEBDLO CN(Cc1ccc(N)[nH+]c1)c1c(F)cccc1[N+](=O)[O-] ZINC000342850576 367571143 /nfs/dbraw/zinc/57/11/43/367571143.db2.gz NFZFWCBZNZMDCT-UHFFFAOYSA-N 1 2 276.271 2.178 20 5 CEBDLO CC(=O)c1ccc(NCc2[nH+]ccn2C)c([N+](=O)[O-])c1 ZINC000343512146 367855218 /nfs/dbraw/zinc/85/52/18/367855218.db2.gz FFVJIZZJSWIZNM-UHFFFAOYSA-N 1 2 274.280 2.143 20 5 CEBDLO Cc1noc([C@H](C)[NH2+]CCOc2ccccc2[N+](=O)[O-])n1 ZINC000348094459 368893896 /nfs/dbraw/zinc/89/38/96/368893896.db2.gz GEPQSPOYABOWDJ-VIFPVBQESA-N 1 2 292.295 2.016 20 5 CEBDLO Cc1ccc([C@H](C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)o1 ZINC000348256174 368971355 /nfs/dbraw/zinc/97/13/55/368971355.db2.gz UUZXIPQZZQDNFX-VIFPVBQESA-N 1 2 264.285 2.081 20 5 CEBDLO CC(C)[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000330754193 203193927 /nfs/dbraw/zinc/19/39/27/203193927.db2.gz YBQFKTNWNVRJJS-AWEZNQCLSA-N 1 2 264.325 2.452 20 5 CEBDLO CC(C)[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000330754193 203193931 /nfs/dbraw/zinc/19/39/31/203193931.db2.gz YBQFKTNWNVRJJS-AWEZNQCLSA-N 1 2 264.325 2.452 20 5 CEBDLO O=[N+]([O-])c1cccc(-c2noc(CCn3cc[nH+]c3)n2)c1 ZINC000349862138 369428870 /nfs/dbraw/zinc/42/88/70/369428870.db2.gz MJSLHESKHFGSDW-UHFFFAOYSA-N 1 2 285.263 2.084 20 5 CEBDLO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CCC[C@@H]1O ZINC000352674835 369831732 /nfs/dbraw/zinc/83/17/32/369831732.db2.gz QOVZQRNBSHCKSJ-STQMWFEESA-N 1 2 286.278 2.218 20 5 CEBDLO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CCC[C@@H]1O ZINC000352674835 369831737 /nfs/dbraw/zinc/83/17/37/369831737.db2.gz QOVZQRNBSHCKSJ-STQMWFEESA-N 1 2 286.278 2.218 20 5 CEBDLO COc1cc(C[N@@H+]2CCO[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000352533943 369776542 /nfs/dbraw/zinc/77/65/42/369776542.db2.gz BIWSCEDYVGDNHQ-WDEREUQCSA-N 1 2 280.324 2.213 20 5 CEBDLO COc1cc(C[N@H+]2CCO[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000352533943 369776544 /nfs/dbraw/zinc/77/65/44/369776544.db2.gz BIWSCEDYVGDNHQ-WDEREUQCSA-N 1 2 280.324 2.213 20 5 CEBDLO C[C@@H]([NH2+]Cc1nnc2ccccn21)c1cccc([N+](=O)[O-])c1 ZINC000193277446 369916021 /nfs/dbraw/zinc/91/60/21/369916021.db2.gz URUDWIGIHLDRCS-LLVKDONJSA-N 1 2 297.318 2.488 20 5 CEBDLO C[C@@H]([NH2+]Cc1ccn(C)n1)c1ccccc1[N+](=O)[O-] ZINC000213150454 370168036 /nfs/dbraw/zinc/16/80/36/370168036.db2.gz OSHKQCAVUVAVJZ-SNVBAGLBSA-N 1 2 260.297 2.179 20 5 CEBDLO C[C@@H](CC(=O)NCc1cccc([N+](=O)[O-])c1)n1cc[nH+]c1 ZINC000572965473 299416540 /nfs/dbraw/zinc/41/65/40/299416540.db2.gz QCIKXHXMXGFXLD-NSHDSACASA-N 1 2 288.307 2.059 20 5 CEBDLO COC[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@@H](C)O1 ZINC000251903682 371422504 /nfs/dbraw/zinc/42/25/04/371422504.db2.gz RFASNLMNJOOPIM-BXUZGUMPSA-N 1 2 294.351 2.139 20 5 CEBDLO COC[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@@H](C)O1 ZINC000251903682 371422511 /nfs/dbraw/zinc/42/25/11/371422511.db2.gz RFASNLMNJOOPIM-BXUZGUMPSA-N 1 2 294.351 2.139 20 5 CEBDLO C[C@@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000255078305 371555263 /nfs/dbraw/zinc/55/52/63/371555263.db2.gz STTHPQWVCREPQY-TXNVCOODSA-N 1 2 262.309 2.329 20 5 CEBDLO C[C@@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000255078305 371555268 /nfs/dbraw/zinc/55/52/68/371555268.db2.gz STTHPQWVCREPQY-TXNVCOODSA-N 1 2 262.309 2.329 20 5 CEBDLO COc1cc[nH+]cc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344204842 217097523 /nfs/dbraw/zinc/09/75/23/217097523.db2.gz AJJLGPWEVUJVND-UHFFFAOYSA-N 1 2 291.238 2.390 20 5 CEBDLO COc1cc(N(C)Cc2[nH+]ccn2C)c(F)cc1[N+](=O)[O-] ZINC000271101071 373120128 /nfs/dbraw/zinc/12/01/28/373120128.db2.gz PJWNNJXWLRURSW-UHFFFAOYSA-N 1 2 294.286 2.112 20 5 CEBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2Cc3cccc(Cl)c3C2)n1 ZINC000370645213 373704844 /nfs/dbraw/zinc/70/48/44/373704844.db2.gz ZNJBPRNNSRVXFD-UHFFFAOYSA-N 1 2 292.726 2.461 20 5 CEBDLO O=[N+]([O-])c1ccn(CC[N@H+]2Cc3cccc(Cl)c3C2)n1 ZINC000370645213 373704851 /nfs/dbraw/zinc/70/48/51/373704851.db2.gz ZNJBPRNNSRVXFD-UHFFFAOYSA-N 1 2 292.726 2.461 20 5 CEBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000277220295 374443185 /nfs/dbraw/zinc/44/31/85/374443185.db2.gz NXBYHIWPKKXJLC-ZBUHCNDUSA-N 1 2 296.392 2.499 20 5 CEBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000277220295 374443194 /nfs/dbraw/zinc/44/31/94/374443194.db2.gz NXBYHIWPKKXJLC-ZBUHCNDUSA-N 1 2 296.392 2.499 20 5 CEBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]2c2nccs2)c1 ZINC000377932947 374982990 /nfs/dbraw/zinc/98/29/90/374982990.db2.gz RVVJPKCBRAJHMS-NSHDSACASA-N 1 2 293.352 2.085 20 5 CEBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H]2c2nccs2)c1 ZINC000377932947 374982994 /nfs/dbraw/zinc/98/29/94/374982994.db2.gz RVVJPKCBRAJHMS-NSHDSACASA-N 1 2 293.352 2.085 20 5 CEBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)OC(C)(C)C ZINC000282573265 375520490 /nfs/dbraw/zinc/52/04/90/375520490.db2.gz ZUQGDNFHOGNVOK-UHFFFAOYSA-N 1 2 294.351 2.411 20 5 CEBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)OC(C)(C)C ZINC000282573265 375520497 /nfs/dbraw/zinc/52/04/97/375520497.db2.gz ZUQGDNFHOGNVOK-UHFFFAOYSA-N 1 2 294.351 2.411 20 5 CEBDLO Cc1c(C[NH2+]Cc2cn(C(C)C)nn2)cccc1[N+](=O)[O-] ZINC000314778572 376782954 /nfs/dbraw/zinc/78/29/54/376782954.db2.gz KRKZRXOXAXERNH-UHFFFAOYSA-N 1 2 289.339 2.365 20 5 CEBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)cs1 ZINC000291290513 377159964 /nfs/dbraw/zinc/15/99/64/377159964.db2.gz PPDYMZZVHKZRAG-SECBINFHSA-N 1 2 292.307 2.106 20 5 CEBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC(F)(F)[C@@H](CO)C2)cs1 ZINC000291290513 377159974 /nfs/dbraw/zinc/15/99/74/377159974.db2.gz PPDYMZZVHKZRAG-SECBINFHSA-N 1 2 292.307 2.106 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(SC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000564902704 377497489 /nfs/dbraw/zinc/49/74/89/377497489.db2.gz BVIXISSCKRJBSL-NSHDSACASA-N 1 2 282.365 2.326 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(SC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000564902704 377497500 /nfs/dbraw/zinc/49/75/00/377497500.db2.gz BVIXISSCKRJBSL-NSHDSACASA-N 1 2 282.365 2.326 20 5 CEBDLO Cc1cc(NCCc2cn(C)c[nH+]2)c(F)cc1[N+](=O)[O-] ZINC000313454476 249397050 /nfs/dbraw/zinc/39/70/50/249397050.db2.gz AVAHKWSEYSKROP-UHFFFAOYSA-N 1 2 278.287 2.430 20 5 CEBDLO C[C@H]1C[NH+](CCSc2ccc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000565241924 377620721 /nfs/dbraw/zinc/62/07/21/377620721.db2.gz YSBKYQUBYOFNRG-QWRGUYRKSA-N 1 2 297.380 2.191 20 5 CEBDLO O=[N+]([O-])c1ccc(N2CCC[C@H]2c2[nH]cc[nH+]2)cn1 ZINC000450425601 378409918 /nfs/dbraw/zinc/40/99/18/378409918.db2.gz NOKBPYNMINJHIH-JTQLQIEISA-N 1 2 259.269 2.054 20 5 CEBDLO CCn1cc[nH+]c1[C@@H](C)Nc1ccc([N+](=O)[O-])cn1 ZINC000450834367 378603987 /nfs/dbraw/zinc/60/39/87/378603987.db2.gz UWUPXEGAWSVJKJ-SECBINFHSA-N 1 2 261.285 2.379 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)cc1 ZINC000299127952 378909517 /nfs/dbraw/zinc/90/95/17/378909517.db2.gz YFAMDEJIHNFSJQ-ZIAGYGMSSA-N 1 2 262.309 2.348 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@@H]3CCC[C@H]32)cc1 ZINC000299127952 378909525 /nfs/dbraw/zinc/90/95/25/378909525.db2.gz YFAMDEJIHNFSJQ-ZIAGYGMSSA-N 1 2 262.309 2.348 20 5 CEBDLO Cc1cn[nH]c1C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000289454618 197355925 /nfs/dbraw/zinc/35/59/25/197355925.db2.gz HHIOZLATWRHGTM-JTQLQIEISA-N 1 2 260.297 2.477 20 5 CEBDLO Cc1c[nH]nc1C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000289454618 197355927 /nfs/dbraw/zinc/35/59/27/197355927.db2.gz HHIOZLATWRHGTM-JTQLQIEISA-N 1 2 260.297 2.477 20 5 CEBDLO Cc1cc(NCc2ccc(N)[nH+]c2)ccc1[N+](=O)[O-] ZINC000302658365 379415336 /nfs/dbraw/zinc/41/53/36/379415336.db2.gz ALCUAJAJWPYODK-UHFFFAOYSA-N 1 2 258.281 2.493 20 5 CEBDLO O=[N+]([O-])c1cc(F)c(N2CCn3c[nH+]cc3C2)c(F)c1 ZINC000290699451 285093864 /nfs/dbraw/zinc/09/38/64/285093864.db2.gz NIRAXJQOGXUZFE-UHFFFAOYSA-N 1 2 280.234 2.090 20 5 CEBDLO C[C@@H]1C[C@@H](C[NH+]=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)[C@@H](C)O1 ZINC000413540838 394578189 /nfs/dbraw/zinc/57/81/89/394578189.db2.gz VGXRECVBKFDUAN-BBBLOLIVSA-N 1 2 290.323 2.118 20 5 CEBDLO Cc1ccc(CCNc2ccc([N+](=O)[O-])c(C)n2)[nH+]c1 ZINC000413349687 394532708 /nfs/dbraw/zinc/53/27/08/394532708.db2.gz SXLFVATXDZSFJZ-UHFFFAOYSA-N 1 2 272.308 2.078 20 5 CEBDLO Cc1c(C[NH+]2C[C@H](C)S(=O)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000331192350 394628874 /nfs/dbraw/zinc/62/88/74/394628874.db2.gz XLUCIHAKBREADP-QWRGUYRKSA-N 1 2 296.392 2.245 20 5 CEBDLO C[N@H+](CCc1cnccn1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000357026916 394685864 /nfs/dbraw/zinc/68/58/64/394685864.db2.gz RMDYJIOGAZTNLL-UHFFFAOYSA-N 1 2 290.298 2.198 20 5 CEBDLO C[N@@H+](CCc1cnccn1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000357026916 394685866 /nfs/dbraw/zinc/68/58/66/394685866.db2.gz RMDYJIOGAZTNLL-UHFFFAOYSA-N 1 2 290.298 2.198 20 5 CEBDLO C[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1nncn1C ZINC000516663094 395182955 /nfs/dbraw/zinc/18/29/55/395182955.db2.gz DCLWEQFIGAMGGF-SKDRFNHKSA-N 1 2 287.323 2.061 20 5 CEBDLO CC(C)(CCC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)[N+](=O)[O-] ZINC000294840681 395279526 /nfs/dbraw/zinc/27/95/26/395279526.db2.gz YGOYUUDRKIZBGV-LLVKDONJSA-N 1 2 294.355 2.299 20 5 CEBDLO C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C1(CO)CC1 ZINC000353028280 395285196 /nfs/dbraw/zinc/28/51/96/395285196.db2.gz ZIZAUSKEWCPMJG-UHFFFAOYSA-N 1 2 270.716 2.205 20 5 CEBDLO C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C1(CO)CC1 ZINC000353028280 395285201 /nfs/dbraw/zinc/28/52/01/395285201.db2.gz ZIZAUSKEWCPMJG-UHFFFAOYSA-N 1 2 270.716 2.205 20 5 CEBDLO O=[N+]([O-])c1ccnn1Cc1c[nH+]cn1Cc1ccccc1 ZINC000445598102 395466029 /nfs/dbraw/zinc/46/60/29/395466029.db2.gz WCTDELZSOPAMBI-UHFFFAOYSA-N 1 2 283.291 2.084 20 5 CEBDLO C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])s2)c2[nH+]ccn21 ZINC000450836894 395578892 /nfs/dbraw/zinc/57/88/92/395578892.db2.gz ZRCBENVVLYTWSK-RQJHMYQMSA-N 1 2 265.298 2.366 20 5 CEBDLO CC(C)[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@H](C)O ZINC000352027219 154321753 /nfs/dbraw/zinc/32/17/53/154321753.db2.gz ODZJYQHANCIASL-VIFPVBQESA-N 1 2 288.294 2.464 20 5 CEBDLO CC(C)[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@H](C)O ZINC000352027219 154321755 /nfs/dbraw/zinc/32/17/55/154321755.db2.gz ODZJYQHANCIASL-VIFPVBQESA-N 1 2 288.294 2.464 20 5 CEBDLO CCCOC(=O)[C@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285233136 196228131 /nfs/dbraw/zinc/22/81/31/196228131.db2.gz GAKSRDSFGGFTQO-LBPRGKRZSA-N 1 2 294.351 2.411 20 5 CEBDLO CCCOC(=O)[C@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285233136 196228132 /nfs/dbraw/zinc/22/81/32/196228132.db2.gz GAKSRDSFGGFTQO-LBPRGKRZSA-N 1 2 294.351 2.411 20 5 CEBDLO C[C@H]1COC[C@H](C)[NH+]1Cc1cccc([N+](=O)[O-])c1 ZINC000077366051 177257894 /nfs/dbraw/zinc/25/78/94/177257894.db2.gz ZQMHYKXJOMLLMK-QWRGUYRKSA-N 1 2 250.298 2.204 20 5 CEBDLO O=[N+]([O-])c1ccc2nc(N3CCn4c[nH+]cc4C3)ccc2c1 ZINC000377996693 275039075 /nfs/dbraw/zinc/03/90/75/275039075.db2.gz VFPPJKGVEDMQLT-UHFFFAOYSA-N 1 2 295.302 2.360 20 5 CEBDLO COC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000183245504 277388359 /nfs/dbraw/zinc/38/83/59/277388359.db2.gz OBKBYRDONPEBBR-CQSZACIVSA-N 1 2 292.335 2.431 20 5 CEBDLO COC(=O)[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000183245504 277388360 /nfs/dbraw/zinc/38/83/60/277388360.db2.gz OBKBYRDONPEBBR-CQSZACIVSA-N 1 2 292.335 2.431 20 5 CEBDLO O=[N+]([O-])c1cc2ccccc2nc1N1CC(n2cc[nH+]c2)C1 ZINC000530437158 298071041 /nfs/dbraw/zinc/07/10/41/298071041.db2.gz RKPXKXFIIBJVPW-UHFFFAOYSA-N 1 2 295.302 2.401 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC2(CCO2)CC1 ZINC000548807138 298427494 /nfs/dbraw/zinc/42/74/94/298427494.db2.gz VJLRMHIABXPNQW-UHFFFAOYSA-N 1 2 278.308 2.055 20 5 CEBDLO CCc1ccc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000552557953 298479903 /nfs/dbraw/zinc/47/99/03/298479903.db2.gz SWWTVNOXGGTZIK-SECBINFHSA-N 1 2 288.307 2.371 20 5 CEBDLO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ncnn1C ZINC000565216440 298888092 /nfs/dbraw/zinc/88/80/92/298888092.db2.gz JWHXCFDGVKITDC-BXKDBHETSA-N 1 2 287.323 2.061 20 5 CEBDLO COc1ccc(C[NH2+][C@@H](C)c2nnc(C)o2)cc1[N+](=O)[O-] ZINC000543546021 313455718 /nfs/dbraw/zinc/45/57/18/313455718.db2.gz QRGOLDLRSSURSD-QMMMGPOBSA-N 1 2 292.295 2.146 20 5 CEBDLO C[C@H](C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[NH+]1CC(C)C1 ZINC000577506998 314385048 /nfs/dbraw/zinc/38/50/48/314385048.db2.gz MXPGBQNTKWPKOX-SECBINFHSA-N 1 2 281.287 2.013 20 5 CEBDLO C[C@H]([NH+]=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1)[C@@H]1CCCOC1 ZINC000388891637 321888143 /nfs/dbraw/zinc/88/81/43/321888143.db2.gz LFPVNQDWXZHLII-VHSXEESVSA-N 1 2 290.323 2.120 20 5 CEBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](n3cccn3)C2)cs1 ZINC000365834458 527329159 /nfs/dbraw/zinc/32/91/59/527329159.db2.gz ASIFHYKMCOXXDR-NSHDSACASA-N 1 2 278.337 2.300 20 5 CEBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](n3cccn3)C2)cs1 ZINC000365834458 527329166 /nfs/dbraw/zinc/32/91/66/527329166.db2.gz ASIFHYKMCOXXDR-NSHDSACASA-N 1 2 278.337 2.300 20 5 CEBDLO CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C)[nH+]c2C)n1 ZINC000191665063 529154447 /nfs/dbraw/zinc/15/44/47/529154447.db2.gz LDOIPNUPWJIMAB-UHFFFAOYSA-N 1 2 289.295 2.075 20 5 CEBDLO C[N@@H+]1CCCC[C@@H]1C(=O)OCc1ccccc1[N+](=O)[O-] ZINC000741146981 574977401 /nfs/dbraw/zinc/97/74/01/574977401.db2.gz RUYBFHUHODAZMK-CYBMUJFWSA-N 1 2 278.308 2.122 20 5 CEBDLO C[N@H+]1CCCC[C@@H]1C(=O)OCc1ccccc1[N+](=O)[O-] ZINC000741146981 574977402 /nfs/dbraw/zinc/97/74/02/574977402.db2.gz RUYBFHUHODAZMK-CYBMUJFWSA-N 1 2 278.308 2.122 20 5 CEBDLO CN(C)c1cc(NCc2cccc([N+](=O)[O-])c2)[nH+]cn1 ZINC000813354736 623159227 /nfs/dbraw/zinc/15/92/27/623159227.db2.gz ARHIKUGEIPFHRP-UHFFFAOYSA-N 1 2 273.296 2.063 20 5 CEBDLO CN(C)c1cc(NCc2cccc([N+](=O)[O-])c2)nc[nH+]1 ZINC000813354736 623159231 /nfs/dbraw/zinc/15/92/31/623159231.db2.gz ARHIKUGEIPFHRP-UHFFFAOYSA-N 1 2 273.296 2.063 20 5 CEBDLO CCn1cnc(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000902125656 634489407 /nfs/dbraw/zinc/48/94/07/634489407.db2.gz USUZNVDYOGVMHA-UHFFFAOYSA-N 1 2 290.323 2.110 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ocnc1C ZINC000894238505 629245128 /nfs/dbraw/zinc/24/51/28/629245128.db2.gz SKBFMHVKFNSKMM-UHFFFAOYSA-N 1 2 277.280 2.190 20 5 CEBDLO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC=C(c2ccco2)C1 ZINC000795648931 629642027 /nfs/dbraw/zinc/64/20/27/629642027.db2.gz WHQNBLIZXKRSNR-UHFFFAOYSA-N 1 2 274.280 2.131 20 5 CEBDLO O=[N+]([O-])c1ccnn1C[N@H+]1CCC=C(c2ccco2)C1 ZINC000795648931 629642031 /nfs/dbraw/zinc/64/20/31/629642031.db2.gz WHQNBLIZXKRSNR-UHFFFAOYSA-N 1 2 274.280 2.131 20 5 CEBDLO CC[N@H+](CC(=O)N(C)C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000049024095 629738309 /nfs/dbraw/zinc/73/83/09/629738309.db2.gz SHHYUMBDRYQSJA-UHFFFAOYSA-N 1 2 299.758 2.158 20 5 CEBDLO CC[N@@H+](CC(=O)N(C)C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000049024095 629738312 /nfs/dbraw/zinc/73/83/12/629738312.db2.gz SHHYUMBDRYQSJA-UHFFFAOYSA-N 1 2 299.758 2.158 20 5 CEBDLO COCC1C[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000895971656 630423760 /nfs/dbraw/zinc/42/37/60/630423760.db2.gz NKDLFZYSYBJBHX-UHFFFAOYSA-N 1 2 270.716 2.326 20 5 CEBDLO Cc1cc(C(=O)O[C@H]2CC[N@H+](CCF)C2)ccc1[N+](=O)[O-] ZINC000802231075 631405586 /nfs/dbraw/zinc/40/55/86/631405586.db2.gz WYVJRKZALPFVAO-LBPRGKRZSA-N 1 2 296.298 2.104 20 5 CEBDLO Cc1cc(C(=O)O[C@H]2CC[N@@H+](CCF)C2)ccc1[N+](=O)[O-] ZINC000802231075 631405591 /nfs/dbraw/zinc/40/55/91/631405591.db2.gz WYVJRKZALPFVAO-LBPRGKRZSA-N 1 2 296.298 2.104 20 5 CEBDLO Nc1ccc(NCCCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000804592611 631711240 /nfs/dbraw/zinc/71/12/40/631711240.db2.gz DGSCVHUDOQOSIA-UHFFFAOYSA-N 1 2 275.312 2.266 20 5 CEBDLO CCC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000897833930 631936062 /nfs/dbraw/zinc/93/60/62/631936062.db2.gz DMKIFWCMZHMMNL-CYBMUJFWSA-N 1 2 280.324 2.069 20 5 CEBDLO COc1cc([C@@H](C)[NH2+]Cc2cn(C)cn2)cc([N+](=O)[O-])c1 ZINC000903352073 635080838 /nfs/dbraw/zinc/08/08/38/635080838.db2.gz QNGGNICEAQXHAD-SNVBAGLBSA-N 1 2 290.323 2.188 20 5 CEBDLO CCc1nc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)co1 ZINC000825051063 635550229 /nfs/dbraw/zinc/55/02/29/635550229.db2.gz VHELTWRFEOLJBT-UHFFFAOYSA-N 1 2 261.281 2.435 20 5 CEBDLO C[C@H]1CCC[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000044756151 639360945 /nfs/dbraw/zinc/36/09/45/639360945.db2.gz NMUWALKMJWWYLD-JTQLQIEISA-N 1 2 291.307 2.192 20 5 CEBDLO C[C@H]1CCC[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000044756151 639360950 /nfs/dbraw/zinc/36/09/50/639360950.db2.gz NMUWALKMJWWYLD-JTQLQIEISA-N 1 2 291.307 2.192 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCO[C@H](CF)C1 ZINC000877586581 650801204 /nfs/dbraw/zinc/80/12/04/650801204.db2.gz KSKRRSNMALUQQG-GFCCVEGCSA-N 1 2 282.315 2.382 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCO[C@H](CF)C1 ZINC000877586581 650801209 /nfs/dbraw/zinc/80/12/09/650801209.db2.gz KSKRRSNMALUQQG-GFCCVEGCSA-N 1 2 282.315 2.382 20 5 CEBDLO Cc1ccc(C(=O)O[C@H]2CC[N@H+](CCF)C2)cc1[N+](=O)[O-] ZINC000788083737 643800181 /nfs/dbraw/zinc/80/01/81/643800181.db2.gz NCSZUDACMBFZKE-LBPRGKRZSA-N 1 2 296.298 2.104 20 5 CEBDLO Cc1ccc(C(=O)O[C@H]2CC[N@@H+](CCF)C2)cc1[N+](=O)[O-] ZINC000788083737 643800182 /nfs/dbraw/zinc/80/01/82/643800182.db2.gz NCSZUDACMBFZKE-LBPRGKRZSA-N 1 2 296.298 2.104 20 5 CEBDLO CC1(C)C[C@H](O)C[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000877753037 650897028 /nfs/dbraw/zinc/89/70/28/650897028.db2.gz LPSGBHAWWYGSMK-JTQLQIEISA-N 1 2 270.354 2.249 20 5 CEBDLO CC1(C)C[C@H](O)C[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000877753037 650897034 /nfs/dbraw/zinc/89/70/34/650897034.db2.gz LPSGBHAWWYGSMK-JTQLQIEISA-N 1 2 270.354 2.249 20 5 CEBDLO CC(C)(O)C1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000877753379 650897042 /nfs/dbraw/zinc/89/70/42/650897042.db2.gz CJDMZIPZFWLBOX-UHFFFAOYSA-N 1 2 294.351 2.283 20 5 CEBDLO CCC(F)(F)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000863577591 646761240 /nfs/dbraw/zinc/76/12/40/646761240.db2.gz DAZIXNOZGPWZHH-NSHDSACASA-N 1 2 274.267 2.263 20 5 CEBDLO COCC1([N@H+](C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000792874172 648683498 /nfs/dbraw/zinc/68/34/98/648683498.db2.gz VBSIRAHYECZWRV-UHFFFAOYSA-N 1 2 295.295 2.114 20 5 CEBDLO COCC1([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000792874172 648683502 /nfs/dbraw/zinc/68/35/02/648683502.db2.gz VBSIRAHYECZWRV-UHFFFAOYSA-N 1 2 295.295 2.114 20 5 CEBDLO O=C(C[N@@H+]1CCC[C@@H](CF)C1)Nc1ccccc1[N+](=O)[O-] ZINC000880233211 651404538 /nfs/dbraw/zinc/40/45/38/651404538.db2.gz JGRUZRSEBHFIFO-NSHDSACASA-N 1 2 295.314 2.215 20 5 CEBDLO O=C(C[N@H+]1CCC[C@@H](CF)C1)Nc1ccccc1[N+](=O)[O-] ZINC000880233211 651404539 /nfs/dbraw/zinc/40/45/39/651404539.db2.gz JGRUZRSEBHFIFO-NSHDSACASA-N 1 2 295.314 2.215 20 5 CEBDLO CC[N@@H+](Cc1ccccc1)Cn1cc([N+](=O)[O-])cn1 ZINC000123106423 808831061 /nfs/dbraw/zinc/83/10/61/808831061.db2.gz HPCLOTKZDUHJPR-UHFFFAOYSA-N 1 2 260.297 2.271 20 5 CEBDLO CC[N@H+](Cc1ccccc1)Cn1cc([N+](=O)[O-])cn1 ZINC000123106423 808831064 /nfs/dbraw/zinc/83/10/64/808831064.db2.gz HPCLOTKZDUHJPR-UHFFFAOYSA-N 1 2 260.297 2.271 20 5 CEBDLO Nc1[nH+]cccc1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC001163327342 810068649 /nfs/dbraw/zinc/06/86/49/810068649.db2.gz SGPRJDFRIHHXCL-UHFFFAOYSA-N 1 2 279.687 2.233 20 5 CEBDLO COc1ccc(C[C@@H](C)[N@@H+]2C[C@@H]3C[C@H]2CO3)c([N+](=O)[O-])c1 ZINC001170344333 812399951 /nfs/dbraw/zinc/39/99/51/812399951.db2.gz AKLDSCLQYLWJNJ-OSMZGAPFSA-N 1 2 292.335 2.008 20 5 CEBDLO COc1ccc(C[C@@H](C)[N@H+]2C[C@@H]3C[C@H]2CO3)c([N+](=O)[O-])c1 ZINC001170344333 812399958 /nfs/dbraw/zinc/39/99/58/812399958.db2.gz AKLDSCLQYLWJNJ-OSMZGAPFSA-N 1 2 292.335 2.008 20 5 CEBDLO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1nncn1C ZINC000037016374 361883004 /nfs/dbraw/zinc/88/30/04/361883004.db2.gz MALJEDDVWJFQDR-UWVGGRQHSA-N 1 2 275.312 2.135 20 5 CEBDLO C[C@@H]([NH2+][C@H](C(N)=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000126117009 187217660 /nfs/dbraw/zinc/21/76/60/187217660.db2.gz UFPWBZGLLXVHSW-ABAIWWIYSA-N 1 2 299.330 2.472 20 5 CEBDLO C[N@H+](Cc1cccc(C(N)=O)c1)Cc1ccccc1[N+](=O)[O-] ZINC000029224933 343398828 /nfs/dbraw/zinc/39/88/28/343398828.db2.gz GLCZTQUKZMLIEB-UHFFFAOYSA-N 1 2 299.330 2.326 20 5 CEBDLO C[N@@H+](Cc1cccc(C(N)=O)c1)Cc1ccccc1[N+](=O)[O-] ZINC000029224933 343398830 /nfs/dbraw/zinc/39/88/30/343398830.db2.gz GLCZTQUKZMLIEB-UHFFFAOYSA-N 1 2 299.330 2.326 20 5 CEBDLO CCOC(=O)[C@@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000047264391 362203337 /nfs/dbraw/zinc/20/33/37/362203337.db2.gz WWUGIFRUYPPTHH-LLVKDONJSA-N 1 2 298.364 2.431 20 5 CEBDLO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000047264391 362203338 /nfs/dbraw/zinc/20/33/38/362203338.db2.gz WWUGIFRUYPPTHH-LLVKDONJSA-N 1 2 298.364 2.431 20 5 CEBDLO C[C@@H]1CCN(c2ncccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000134014072 136390669 /nfs/dbraw/zinc/39/06/69/136390669.db2.gz CLNOLTBZXWYXIZ-YPMHNXCESA-N 1 2 287.323 2.274 20 5 CEBDLO O=[N+]([O-])c1cccc(CNc2cccc(CO)[nH+]2)c1 ZINC000351321434 219091479 /nfs/dbraw/zinc/09/14/79/219091479.db2.gz BEEUNSBCXCXRRR-UHFFFAOYSA-N 1 2 259.265 2.094 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)cc1 ZINC000054344418 343588842 /nfs/dbraw/zinc/58/88/42/343588842.db2.gz YFAMDEJIHNFSJQ-KBPBESRZSA-N 1 2 262.309 2.348 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)cc1 ZINC000054344418 343588844 /nfs/dbraw/zinc/58/88/44/343588844.db2.gz YFAMDEJIHNFSJQ-KBPBESRZSA-N 1 2 262.309 2.348 20 5 CEBDLO Cc1noc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)n1 ZINC000067437572 343736119 /nfs/dbraw/zinc/73/61/19/343736119.db2.gz IZWTXGAEVNIMTA-MRVPVSSYSA-N 1 2 262.269 2.137 20 5 CEBDLO CN(C)C(=O)C(C)(C)[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119436734 344295071 /nfs/dbraw/zinc/29/50/71/344295071.db2.gz SVBNAMUBDMLOPW-UHFFFAOYSA-N 1 2 299.758 2.205 20 5 CEBDLO Cc1c(C[N@@H+]2CCO[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000051160446 362427268 /nfs/dbraw/zinc/42/72/68/362427268.db2.gz FBMSKYNKFRDTQI-JTQLQIEISA-N 1 2 250.298 2.124 20 5 CEBDLO Cc1c(C[N@H+]2CCO[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000051160446 362427270 /nfs/dbraw/zinc/42/72/70/362427270.db2.gz FBMSKYNKFRDTQI-JTQLQIEISA-N 1 2 250.298 2.124 20 5 CEBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]2CF)c2c(c1)COCO2 ZINC000293106270 344690749 /nfs/dbraw/zinc/69/07/49/344690749.db2.gz QOIJYATZVSMZAQ-LBPRGKRZSA-N 1 2 296.298 2.395 20 5 CEBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]2CF)c2c(c1)COCO2 ZINC000293106270 344690752 /nfs/dbraw/zinc/69/07/52/344690752.db2.gz QOIJYATZVSMZAQ-LBPRGKRZSA-N 1 2 296.298 2.395 20 5 CEBDLO C[C@@H]([NH2+]Cc1cn(C)cn1)c1ccccc1[N+](=O)[O-] ZINC000588926854 345060974 /nfs/dbraw/zinc/06/09/74/345060974.db2.gz CJCGJAPDDKMVBM-SNVBAGLBSA-N 1 2 260.297 2.179 20 5 CEBDLO Cc1c(CN2CCn3c[nH+]cc3C2)cccc1[N+](=O)[O-] ZINC000590599662 345150227 /nfs/dbraw/zinc/15/02/27/345150227.db2.gz KKYSVVMPMDWRAQ-UHFFFAOYSA-N 1 2 272.308 2.116 20 5 CEBDLO CC[N@H+](Cc1cnn(C)c1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595302905 345758397 /nfs/dbraw/zinc/75/83/97/345758397.db2.gz WVRFSBDLDIWXSZ-UHFFFAOYSA-N 1 2 292.314 2.490 20 5 CEBDLO CC[N@@H+](Cc1cnn(C)c1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595302905 345758400 /nfs/dbraw/zinc/75/84/00/345758400.db2.gz WVRFSBDLDIWXSZ-UHFFFAOYSA-N 1 2 292.314 2.490 20 5 CEBDLO Cc1noc(C[NH2+][C@H](C)c2cccc(O)c2)c1[N+](=O)[O-] ZINC000595413929 345776658 /nfs/dbraw/zinc/77/66/58/345776658.db2.gz BYAIYWWBOQSFLI-MRVPVSSYSA-N 1 2 277.280 2.448 20 5 CEBDLO Cc1noc(C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000595491880 345795225 /nfs/dbraw/zinc/79/52/25/345795225.db2.gz YJPQKTQSRFAUCB-MFKMUULPSA-N 1 2 295.339 2.281 20 5 CEBDLO Cc1noc(C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000595491880 345795228 /nfs/dbraw/zinc/79/52/28/345795228.db2.gz YJPQKTQSRFAUCB-MFKMUULPSA-N 1 2 295.339 2.281 20 5 CEBDLO C[C@@H]1COC2(CCC2)C[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000595681379 345847428 /nfs/dbraw/zinc/84/74/28/345847428.db2.gz LHGFKVKEHOQKAL-LLVKDONJSA-N 1 2 292.335 2.444 20 5 CEBDLO C[C@@H]1COC2(CCC2)C[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000595681379 345847431 /nfs/dbraw/zinc/84/74/31/345847431.db2.gz LHGFKVKEHOQKAL-LLVKDONJSA-N 1 2 292.335 2.444 20 5 CEBDLO C[C@]1(C2CC2)C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000595624617 345830841 /nfs/dbraw/zinc/83/08/41/345830841.db2.gz DTLUNPSKSIHZMW-OAHLLOKOSA-N 1 2 292.335 2.301 20 5 CEBDLO C[C@]1(C2CC2)C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000595624617 345830844 /nfs/dbraw/zinc/83/08/44/345830844.db2.gz DTLUNPSKSIHZMW-OAHLLOKOSA-N 1 2 292.335 2.301 20 5 CEBDLO C[C@@H]1C[N@H+](CCNc2ccc([N+](=O)[O-])cc2F)[C@H](C)CO1 ZINC000596428825 346021323 /nfs/dbraw/zinc/02/13/23/346021323.db2.gz IKPOHLNATXYGCX-GHMZBOCLSA-N 1 2 297.330 2.255 20 5 CEBDLO C[C@@H]1C[N@@H+](CCNc2ccc([N+](=O)[O-])cc2F)[C@H](C)CO1 ZINC000596428825 346021326 /nfs/dbraw/zinc/02/13/26/346021326.db2.gz IKPOHLNATXYGCX-GHMZBOCLSA-N 1 2 297.330 2.255 20 5 CEBDLO Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)c(C)[nH+]1 ZINC000176209602 232325039 /nfs/dbraw/zinc/32/50/39/232325039.db2.gz JQYOYVYZJDMWNB-UHFFFAOYSA-N 1 2 261.237 2.452 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCCc3n[nH]cc3C2)c(F)c1 ZINC000596597502 346062906 /nfs/dbraw/zinc/06/29/06/346062906.db2.gz UQIXJSJCLLHFBJ-UHFFFAOYSA-N 1 2 290.298 2.405 20 5 CEBDLO CC1(C)CC[C@@H](CO)[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000598646287 346392443 /nfs/dbraw/zinc/39/24/43/346392443.db2.gz DXCNPKLXOCDRPH-LBPRGKRZSA-N 1 2 294.351 2.283 20 5 CEBDLO CC1(C)CC[C@@H](CO)[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000598646287 346392446 /nfs/dbraw/zinc/39/24/46/346392446.db2.gz DXCNPKLXOCDRPH-LBPRGKRZSA-N 1 2 294.351 2.283 20 5 CEBDLO O=[N+]([O-])c1c(N[C@@H]2C=C[C@H](CO)C2)ccc2c[nH+]ccc21 ZINC000599055020 346453803 /nfs/dbraw/zinc/45/38/03/346453803.db2.gz MOXWLHWKLAQAMO-CMPLNLGQSA-N 1 2 285.303 2.492 20 5 CEBDLO CC[C@@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@H]1O ZINC000599063768 346454491 /nfs/dbraw/zinc/45/44/91/346454491.db2.gz HBYDKWXHNXCFNN-QMTHXVAHSA-N 1 2 287.319 2.350 20 5 CEBDLO O=[N+]([O-])c1c(NCC2COC2)ccc2c[nH+]ccc21 ZINC000599179325 346474442 /nfs/dbraw/zinc/47/44/42/346474442.db2.gz VQUZCDSEOXEBQA-UHFFFAOYSA-N 1 2 259.265 2.201 20 5 CEBDLO CCOC[C@@H]1C[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000599616642 346546428 /nfs/dbraw/zinc/54/64/28/346546428.db2.gz FLDUYUFGTUDVFR-OLZOCXBDSA-N 1 2 294.351 2.393 20 5 CEBDLO CCOC[C@@H]1C[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000599616642 346546430 /nfs/dbraw/zinc/54/64/30/346546430.db2.gz FLDUYUFGTUDVFR-OLZOCXBDSA-N 1 2 294.351 2.393 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@H](O)C12CCCC2 ZINC000339245161 215037826 /nfs/dbraw/zinc/03/78/26/215037826.db2.gz FZWIDJNDCMWCQW-AWEZNQCLSA-N 1 2 292.335 2.180 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@H](O)C12CCCC2 ZINC000339245161 215037828 /nfs/dbraw/zinc/03/78/28/215037828.db2.gz FZWIDJNDCMWCQW-AWEZNQCLSA-N 1 2 292.335 2.180 20 5 CEBDLO Cc1nc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc[nH+]1 ZINC000266382909 136601281 /nfs/dbraw/zinc/60/12/81/136601281.db2.gz NEZNFPFIXWUSIA-UHFFFAOYSA-N 1 2 299.334 2.020 20 5 CEBDLO Cc1cc(C)c(Cn2ccc(=O)c([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000601077901 346746238 /nfs/dbraw/zinc/74/62/38/346746238.db2.gz BMLNPUCBEMBVMR-UHFFFAOYSA-N 1 2 273.292 2.125 20 5 CEBDLO Cc1n[nH]cc1C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000602940262 347251967 /nfs/dbraw/zinc/25/19/67/347251967.db2.gz DZYNEMLIJXVALR-UHFFFAOYSA-N 1 2 278.287 2.397 20 5 CEBDLO Cc1n[nH]cc1C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000602940262 347251971 /nfs/dbraw/zinc/25/19/71/347251971.db2.gz DZYNEMLIJXVALR-UHFFFAOYSA-N 1 2 278.287 2.397 20 5 CEBDLO Cc1cnc(NC(C)(C)c2[nH]cc[nH+]2)c([N+](=O)[O-])c1 ZINC000603406599 347361840 /nfs/dbraw/zinc/36/18/40/347361840.db2.gz LQAGSEVIMGXUKW-UHFFFAOYSA-N 1 2 261.285 2.369 20 5 CEBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC=CCC3)nc2c1 ZINC000611517213 347789316 /nfs/dbraw/zinc/78/93/16/347789316.db2.gz ISOMCFHKWGMWLS-UHFFFAOYSA-N 1 2 259.265 2.498 20 5 CEBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC=CCC3)nc2c1 ZINC000611517213 347789317 /nfs/dbraw/zinc/78/93/17/347789317.db2.gz ISOMCFHKWGMWLS-UHFFFAOYSA-N 1 2 259.265 2.498 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCCO[C@H](CF)C2)c(F)c1 ZINC000411862959 233292054 /nfs/dbraw/zinc/29/20/54/233292054.db2.gz SLDBVTUEJJFSPI-GFCCVEGCSA-N 1 2 286.278 2.294 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCCO[C@H](CF)C2)c(F)c1 ZINC000411862959 233292057 /nfs/dbraw/zinc/29/20/57/233292057.db2.gz SLDBVTUEJJFSPI-GFCCVEGCSA-N 1 2 286.278 2.294 20 5 CEBDLO C[C@@H]1COCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000091800925 180259326 /nfs/dbraw/zinc/25/93/26/180259326.db2.gz HMARWGRTUPIJJM-FVOPLDGLSA-N 1 2 262.309 2.329 20 5 CEBDLO C[C@@H]1COCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000091800925 180259327 /nfs/dbraw/zinc/25/93/27/180259327.db2.gz HMARWGRTUPIJJM-FVOPLDGLSA-N 1 2 262.309 2.329 20 5 CEBDLO Cc1nnsc1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000291743768 198077292 /nfs/dbraw/zinc/07/72/92/198077292.db2.gz PECTXQCUTRZEEF-UHFFFAOYSA-N 1 2 264.310 2.045 20 5 CEBDLO CCOCCOC1C[NH+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000297348063 200157490 /nfs/dbraw/zinc/15/74/90/200157490.db2.gz FAHZQALNIYXCSO-UHFFFAOYSA-N 1 2 294.351 2.141 20 5 CEBDLO CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1[nH]cc[nH+]1 ZINC000140569144 366561494 /nfs/dbraw/zinc/56/14/94/366561494.db2.gz RBRLLWXKCNWYKV-NSHDSACASA-N 1 2 292.270 2.338 20 5 CEBDLO Cc1cc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])nn1C ZINC000342293971 216297755 /nfs/dbraw/zinc/29/77/55/216297755.db2.gz HANKXISZMGJGRI-LLVKDONJSA-N 1 2 274.324 2.488 20 5 CEBDLO C[C@@H]1OCC[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000156181330 366827624 /nfs/dbraw/zinc/82/76/24/366827624.db2.gz UMFRGDFIMPESGH-QWRGUYRKSA-N 1 2 250.298 2.204 20 5 CEBDLO C[C@@H]1OCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000156181330 366827627 /nfs/dbraw/zinc/82/76/27/366827627.db2.gz UMFRGDFIMPESGH-QWRGUYRKSA-N 1 2 250.298 2.204 20 5 CEBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCOC[C@H]2C2CC2)c1 ZINC000090007828 364032442 /nfs/dbraw/zinc/03/24/42/364032442.db2.gz DFXINSQTCZJRMQ-AWEZNQCLSA-N 1 2 262.309 2.206 20 5 CEBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCOC[C@H]2C2CC2)c1 ZINC000090007828 364032447 /nfs/dbraw/zinc/03/24/47/364032447.db2.gz DFXINSQTCZJRMQ-AWEZNQCLSA-N 1 2 262.309 2.206 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC[C@H]2C2CC2)cc1 ZINC000090007778 364032561 /nfs/dbraw/zinc/03/25/61/364032561.db2.gz LRAQVQFZSRQUKU-AWEZNQCLSA-N 1 2 262.309 2.206 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCOC[C@H]2C2CC2)cc1 ZINC000090007778 364032570 /nfs/dbraw/zinc/03/25/70/364032570.db2.gz LRAQVQFZSRQUKU-AWEZNQCLSA-N 1 2 262.309 2.206 20 5 CEBDLO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ncn(C)n1 ZINC000275772613 193124485 /nfs/dbraw/zinc/12/44/85/193124485.db2.gz TWBNLWYQSOJHRX-UWVGGRQHSA-N 1 2 275.312 2.135 20 5 CEBDLO CCOc1cc(N2CCn3c[nH+]cc3C2)ccc1[N+](=O)[O-] ZINC000357577071 370823133 /nfs/dbraw/zinc/82/31/33/370823133.db2.gz FXOXAAXRLHTCLZ-UHFFFAOYSA-N 1 2 288.307 2.210 20 5 CEBDLO Cc1[nH+]c[nH]c1CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342936162 367603079 /nfs/dbraw/zinc/60/30/79/367603079.db2.gz WAWANTPQMLOLDO-UHFFFAOYSA-N 1 2 299.290 2.038 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1nccn1C ZINC000182829577 368593734 /nfs/dbraw/zinc/59/37/34/368593734.db2.gz IUPAMGSNLNUEMS-JTQLQIEISA-N 1 2 290.323 2.188 20 5 CEBDLO CNc1ccc(Nc2nc3ccccc3cc2[N+](=O)[O-])c[nH+]1 ZINC000352358563 369688972 /nfs/dbraw/zinc/68/89/72/369688972.db2.gz YXZJBLVREWDIIX-UHFFFAOYSA-N 1 2 295.302 2.167 20 5 CEBDLO Cc1c([C@H](C)[NH2+][C@H](C)c2ncnn2C)cccc1[N+](=O)[O-] ZINC000276535311 193371641 /nfs/dbraw/zinc/37/16/41/193371641.db2.gz DCHPVQSRIAKKRB-WDEREUQCSA-N 1 2 289.339 2.444 20 5 CEBDLO Cc1ccnc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000352570082 369790309 /nfs/dbraw/zinc/79/03/09/369790309.db2.gz BTMMFYFXDAKEGC-UHFFFAOYSA-N 1 2 286.335 2.368 20 5 CEBDLO Cc1ccnc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000352570082 369790316 /nfs/dbraw/zinc/79/03/16/369790316.db2.gz BTMMFYFXDAKEGC-UHFFFAOYSA-N 1 2 286.335 2.368 20 5 CEBDLO CC[C@@H]([NH2+]Cc1ncnn1CC)c1cccc([N+](=O)[O-])c1 ZINC000193526204 369951186 /nfs/dbraw/zinc/95/11/86/369951186.db2.gz IAWCLGGJGUZKMW-CYBMUJFWSA-N 1 2 289.339 2.447 20 5 CEBDLO Nc1[nH+]cnc(NCCc2ccc([N+](=O)[O-])cc2)c1Cl ZINC000236391537 370586725 /nfs/dbraw/zinc/58/67/25/370586725.db2.gz SCRKJCMWXLPHLE-UHFFFAOYSA-N 1 2 293.714 2.275 20 5 CEBDLO Nc1nc[nH+]c(NCCc2ccc([N+](=O)[O-])cc2)c1Cl ZINC000236391537 370586732 /nfs/dbraw/zinc/58/67/32/370586732.db2.gz SCRKJCMWXLPHLE-UHFFFAOYSA-N 1 2 293.714 2.275 20 5 CEBDLO COC[C@H]1C[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000247071363 371060300 /nfs/dbraw/zinc/06/03/00/371060300.db2.gz WOLAZEPYNQPPRL-BXUZGUMPSA-N 1 2 280.324 2.003 20 5 CEBDLO COC[C@H]1C[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000247071363 371060305 /nfs/dbraw/zinc/06/03/05/371060305.db2.gz WOLAZEPYNQPPRL-BXUZGUMPSA-N 1 2 280.324 2.003 20 5 CEBDLO C[C@@H]1CCN(c2ccncc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000361059297 371627460 /nfs/dbraw/zinc/62/74/60/371627460.db2.gz SFSHCMVIUOXVDF-RISCZKNCSA-N 1 2 287.323 2.274 20 5 CEBDLO CC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000361592893 371961445 /nfs/dbraw/zinc/96/14/45/371961445.db2.gz DEOLGLADJHTJJQ-JTQLQIEISA-N 1 2 268.288 2.345 20 5 CEBDLO CC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000361592893 371961450 /nfs/dbraw/zinc/96/14/50/371961450.db2.gz DEOLGLADJHTJJQ-JTQLQIEISA-N 1 2 268.288 2.345 20 5 CEBDLO CCN(C)C(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269092163 372339599 /nfs/dbraw/zinc/33/95/99/372339599.db2.gz LHBXDLNSKTUKCF-UHFFFAOYSA-N 1 2 291.351 2.038 20 5 CEBDLO CCN(C)C(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269092163 372339606 /nfs/dbraw/zinc/33/96/06/372339606.db2.gz LHBXDLNSKTUKCF-UHFFFAOYSA-N 1 2 291.351 2.038 20 5 CEBDLO O=[N+]([O-])c1cccc(Cl)c1N1CCn2c[nH+]cc2C1 ZINC000366590269 373084442 /nfs/dbraw/zinc/08/44/42/373084442.db2.gz YGBYWIMAIYFUFM-UHFFFAOYSA-N 1 2 278.699 2.465 20 5 CEBDLO C[C@H]1CCOCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000367457336 373157062 /nfs/dbraw/zinc/15/70/62/373157062.db2.gz GEKPTAJXPIFQSG-JTQLQIEISA-N 1 2 295.295 2.114 20 5 CEBDLO C[C@H]1CCOCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000367457336 373157064 /nfs/dbraw/zinc/15/70/64/373157064.db2.gz GEKPTAJXPIFQSG-JTQLQIEISA-N 1 2 295.295 2.114 20 5 CEBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000277220292 374443244 /nfs/dbraw/zinc/44/32/44/374443244.db2.gz NXBYHIWPKKXJLC-HTGLOVNISA-N 1 2 296.392 2.499 20 5 CEBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000277220292 374443251 /nfs/dbraw/zinc/44/32/51/374443251.db2.gz NXBYHIWPKKXJLC-HTGLOVNISA-N 1 2 296.392 2.499 20 5 CEBDLO O=[N+]([O-])c1cc(F)c(C[NH+]2CCC(CO)CC2)c(F)c1 ZINC000283730290 375752446 /nfs/dbraw/zinc/75/24/46/375752446.db2.gz CCIAPWRYCXNGMF-UHFFFAOYSA-N 1 2 286.278 2.077 20 5 CEBDLO CC[N@H+](CCCO)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000286534989 375985845 /nfs/dbraw/zinc/98/58/45/375985845.db2.gz TYSBNAULKOHQCK-UHFFFAOYSA-N 1 2 274.267 2.077 20 5 CEBDLO CC[N@@H+](CCCO)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000286534989 375985852 /nfs/dbraw/zinc/98/58/52/375985852.db2.gz TYSBNAULKOHQCK-UHFFFAOYSA-N 1 2 274.267 2.077 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@](F)(CO)C2)cc1F ZINC000286980971 376119282 /nfs/dbraw/zinc/11/92/82/376119282.db2.gz PXTSKPMRUSEZSV-CYBMUJFWSA-N 1 2 286.278 2.030 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@](F)(CO)C2)cc1F ZINC000286980971 376119288 /nfs/dbraw/zinc/11/92/88/376119288.db2.gz PXTSKPMRUSEZSV-CYBMUJFWSA-N 1 2 286.278 2.030 20 5 CEBDLO C[C@@H](Nc1c(F)cccc1[N+](=O)[O-])[C@@H](C)[NH+]1CCOCC1 ZINC000287833335 376324453 /nfs/dbraw/zinc/32/44/53/376324453.db2.gz KUNYCZUHHWDQCE-GHMZBOCLSA-N 1 2 297.330 2.255 20 5 CEBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@](F)(CO)C1 ZINC000347331141 296240656 /nfs/dbraw/zinc/24/06/56/296240656.db2.gz GBWDLRQMIBOKAX-SMDDNHRTSA-N 1 2 282.315 2.452 20 5 CEBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@](F)(CO)C1 ZINC000347331141 296240658 /nfs/dbraw/zinc/24/06/58/296240658.db2.gz GBWDLRQMIBOKAX-SMDDNHRTSA-N 1 2 282.315 2.452 20 5 CEBDLO CC(C)[N@H+](Cc1cnn(C)n1)Cc1ccc([N+](=O)[O-])cc1 ZINC000289892369 376548530 /nfs/dbraw/zinc/54/85/30/376548530.db2.gz MNTXUBHRIBPLCW-UHFFFAOYSA-N 1 2 289.339 2.134 20 5 CEBDLO CC(C)[N@@H+](Cc1cnn(C)n1)Cc1ccc([N+](=O)[O-])cc1 ZINC000289892369 376548533 /nfs/dbraw/zinc/54/85/33/376548533.db2.gz MNTXUBHRIBPLCW-UHFFFAOYSA-N 1 2 289.339 2.134 20 5 CEBDLO Cc1cc(Cc2noc(Cn3cc[nH+]c3)n2)ccc1[N+](=O)[O-] ZINC000558655712 376628642 /nfs/dbraw/zinc/62/86/42/376628642.db2.gz KDYPLPXZVLEJAD-UHFFFAOYSA-N 1 2 299.290 2.122 20 5 CEBDLO C[C@H]1CC[C@H]([N@H+](CCO)Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000330449557 377137324 /nfs/dbraw/zinc/13/73/24/377137324.db2.gz JDVOBLDYRHYAFV-AAEUAGOBSA-N 1 2 294.351 2.283 20 5 CEBDLO C[C@H]1CC[C@H]([N@@H+](CCO)Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000330449557 377137336 /nfs/dbraw/zinc/13/73/36/377137336.db2.gz JDVOBLDYRHYAFV-AAEUAGOBSA-N 1 2 294.351 2.283 20 5 CEBDLO COc1cc[nH+]cc1CNc1ccc([N+](=O)[O-])nc1 ZINC000431400964 377633650 /nfs/dbraw/zinc/63/36/50/377633650.db2.gz FOULKRFTTWPDPQ-UHFFFAOYSA-N 1 2 260.253 2.006 20 5 CEBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)c1 ZINC000299112182 378904533 /nfs/dbraw/zinc/90/45/33/378904533.db2.gz QRMAEQZZXXDWDS-ZIAGYGMSSA-N 1 2 262.309 2.348 20 5 CEBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCO[C@@H]3CCC[C@H]32)c1 ZINC000299112182 378904542 /nfs/dbraw/zinc/90/45/42/378904542.db2.gz QRMAEQZZXXDWDS-ZIAGYGMSSA-N 1 2 262.309 2.348 20 5 CEBDLO CC[N@@H+](CC(=O)OC)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000347325485 218191613 /nfs/dbraw/zinc/19/16/13/218191613.db2.gz VUNLZWWRMFOWFM-XYOKQWHBSA-N 1 2 292.335 2.493 20 5 CEBDLO CC[N@H+](CC(=O)OC)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000347325485 218191615 /nfs/dbraw/zinc/19/16/15/218191615.db2.gz VUNLZWWRMFOWFM-XYOKQWHBSA-N 1 2 292.335 2.493 20 5 CEBDLO C[C@H]1C[N@H+](CCNc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000523462457 379595328 /nfs/dbraw/zinc/59/53/28/379595328.db2.gz IOLRWCMIAXZMRP-JTQLQIEISA-N 1 2 299.758 2.381 20 5 CEBDLO C[C@H]1C[N@@H+](CCNc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000523462457 379595336 /nfs/dbraw/zinc/59/53/36/379595336.db2.gz IOLRWCMIAXZMRP-JTQLQIEISA-N 1 2 299.758 2.381 20 5 CEBDLO CCOc1cc(N2CC(n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000538935939 380247387 /nfs/dbraw/zinc/24/73/87/380247387.db2.gz RYMGGAKOQYDCKI-UHFFFAOYSA-N 1 2 288.307 2.251 20 5 CEBDLO O=[N+]([O-])c1cc(F)c(N2CC[NH+](C3CC3)CC2)c(F)c1 ZINC000269625025 285093882 /nfs/dbraw/zinc/09/38/82/285093882.db2.gz JMYOVPNRGUJJFQ-UHFFFAOYSA-N 1 2 283.278 2.157 20 5 CEBDLO CC(C)[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599057 394511230 /nfs/dbraw/zinc/51/12/30/394511230.db2.gz HNKRATOAYNRQAT-GFCCVEGCSA-N 1 2 293.367 2.187 20 5 CEBDLO CC(C)[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599057 394511231 /nfs/dbraw/zinc/51/12/31/394511231.db2.gz HNKRATOAYNRQAT-GFCCVEGCSA-N 1 2 293.367 2.187 20 5 CEBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2n[nH]cc2C1 ZINC000118854278 394762365 /nfs/dbraw/zinc/76/23/65/394762365.db2.gz XQKQQSHVNHPPKQ-SNVBAGLBSA-N 1 2 272.308 2.437 20 5 CEBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCc2n[nH]cc2C1 ZINC000118854278 394762368 /nfs/dbraw/zinc/76/23/68/394762368.db2.gz XQKQQSHVNHPPKQ-SNVBAGLBSA-N 1 2 272.308 2.437 20 5 CEBDLO CC(C)[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1nncn1C ZINC000285342452 394956305 /nfs/dbraw/zinc/95/63/05/394956305.db2.gz KQKXWVWCDGNWQO-CYBMUJFWSA-N 1 2 289.339 2.210 20 5 CEBDLO Cc1cc(N)nc(SCc2cc(O)ccc2[N+](=O)[O-])[nH+]1 ZINC000436477777 395119875 /nfs/dbraw/zinc/11/98/75/395119875.db2.gz ZOZURBLHBWEVGS-UHFFFAOYSA-N 1 2 292.320 2.104 20 5 CEBDLO CO[C@@H]1C[C@@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C1(C)C ZINC000344695909 285821364 /nfs/dbraw/zinc/82/13/64/285821364.db2.gz MZGASHCCLHKELN-CHWSQXEVSA-N 1 2 280.324 2.204 20 5 CEBDLO C[N@H+](Cc1cnccn1)Cc1ccccc1[N+](=O)[O-] ZINC000174652291 165112561 /nfs/dbraw/zinc/11/25/61/165112561.db2.gz RANCERMJODEPDZ-UHFFFAOYSA-N 1 2 258.281 2.017 20 5 CEBDLO C[N@@H+](Cc1cnccn1)Cc1ccccc1[N+](=O)[O-] ZINC000174652291 165112569 /nfs/dbraw/zinc/11/25/69/165112569.db2.gz RANCERMJODEPDZ-UHFFFAOYSA-N 1 2 258.281 2.017 20 5 CEBDLO Cc1oncc1C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000525834144 262433886 /nfs/dbraw/zinc/43/38/86/262433886.db2.gz AOLYBNRFITXVET-UHFFFAOYSA-N 1 2 273.292 2.450 20 5 CEBDLO Cc1oncc1C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000525834144 262433887 /nfs/dbraw/zinc/43/38/87/262433887.db2.gz AOLYBNRFITXVET-UHFFFAOYSA-N 1 2 273.292 2.450 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)Cc1cnccn1 ZINC000430208839 271363338 /nfs/dbraw/zinc/36/33/38/271363338.db2.gz PRSDTXVZHJWLBS-UHFFFAOYSA-N 1 2 288.307 2.025 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1cnccn1 ZINC000430208839 271363342 /nfs/dbraw/zinc/36/33/42/271363342.db2.gz PRSDTXVZHJWLBS-UHFFFAOYSA-N 1 2 288.307 2.025 20 5 CEBDLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000152579198 276047020 /nfs/dbraw/zinc/04/70/20/276047020.db2.gz AHPFJFHOJAGNIA-AWEZNQCLSA-N 1 2 291.351 2.004 20 5 CEBDLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000152579198 276047021 /nfs/dbraw/zinc/04/70/21/276047021.db2.gz AHPFJFHOJAGNIA-AWEZNQCLSA-N 1 2 291.351 2.004 20 5 CEBDLO C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2F)c2[nH+]ccn21 ZINC000413316751 280014313 /nfs/dbraw/zinc/01/43/13/280014313.db2.gz MGWXVTLFVFXEGK-XVKPBYJWSA-N 1 2 277.259 2.443 20 5 CEBDLO Cc1ccc(C2CCN(c3ncc([N+](=O)[O-])cn3)CC2)c[nH+]1 ZINC000371846301 280802615 /nfs/dbraw/zinc/80/26/15/280802615.db2.gz NGQCPOMUJRPXIQ-UHFFFAOYSA-N 1 2 299.334 2.472 20 5 CEBDLO O=[N+]([O-])c1ccc(N2CC(n3cc[nH+]c3)C2)c2ncccc12 ZINC000537833128 298220232 /nfs/dbraw/zinc/22/02/32/298220232.db2.gz GCNKSNGFDMTRNX-UHFFFAOYSA-N 1 2 295.302 2.401 20 5 CEBDLO CC(=O)c1cc([N+](=O)[O-])ccc1OCc1c[nH+]cn1C ZINC000160780376 518292505 /nfs/dbraw/zinc/29/25/05/518292505.db2.gz SBXZIIJNVWHENM-UHFFFAOYSA-N 1 2 275.264 2.110 20 5 CEBDLO COc1cc(COCc2[nH]cc[nH+]2)c([N+](=O)[O-])cc1F ZINC000183867509 522500290 /nfs/dbraw/zinc/50/02/90/522500290.db2.gz GFANAXKQBBZMJF-UHFFFAOYSA-N 1 2 281.243 2.182 20 5 CEBDLO C[N@@H+]1CCCC[C@@H]1C(=O)OCc1c(F)cccc1[N+](=O)[O-] ZINC000745084099 575132579 /nfs/dbraw/zinc/13/25/79/575132579.db2.gz GTOQEBSRXSEGFR-CYBMUJFWSA-N 1 2 296.298 2.261 20 5 CEBDLO C[N@H+]1CCCC[C@@H]1C(=O)OCc1c(F)cccc1[N+](=O)[O-] ZINC000745084099 575132581 /nfs/dbraw/zinc/13/25/81/575132581.db2.gz GTOQEBSRXSEGFR-CYBMUJFWSA-N 1 2 296.298 2.261 20 5 CEBDLO CC(C)OCC(N)=[NH+]OCc1ccc([N+](=O)[O-])cc1F ZINC000747824204 575175454 /nfs/dbraw/zinc/17/54/54/575175454.db2.gz GZVGDYIJHWQNBT-UHFFFAOYSA-N 1 2 285.275 2.157 20 5 CEBDLO O=[N+]([O-])c1ccc(N2CCC(Nc3cccc[nH+]3)CC2)cn1 ZINC000895351365 630130750 /nfs/dbraw/zinc/13/07/50/630130750.db2.gz WXPLEZULUMUTHS-UHFFFAOYSA-N 1 2 299.334 2.466 20 5 CEBDLO COCC1C[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000895975787 630419545 /nfs/dbraw/zinc/41/95/45/630419545.db2.gz GFMRFOCWIITVBO-UHFFFAOYSA-N 1 2 270.716 2.326 20 5 CEBDLO CC(=O)c1ccc([N+](=O)[O-])cc1NCCc1cn(C)c[nH+]1 ZINC000840326692 632910186 /nfs/dbraw/zinc/91/01/86/632910186.db2.gz IIIQRODDCUIZIF-UHFFFAOYSA-N 1 2 288.307 2.186 20 5 CEBDLO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCCC2(F)F)c1 ZINC000819314220 634136327 /nfs/dbraw/zinc/13/63/27/634136327.db2.gz UUHFAFODBJOSGJ-NEPJUHHUSA-N 1 2 286.278 2.406 20 5 CEBDLO CC[C@H](C)[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000905760820 636446883 /nfs/dbraw/zinc/44/68/83/636446883.db2.gz LPNXKEOSJDAQAP-SMDDNHRTSA-N 1 2 294.351 2.315 20 5 CEBDLO Cc1ccc([C@H](C)NC(=O)Cc2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000829719484 636915703 /nfs/dbraw/zinc/91/57/03/636915703.db2.gz LTOIHUTZUSPSDQ-JTQLQIEISA-N 1 2 288.307 2.046 20 5 CEBDLO Cn1cc(C[N@H+](C)Cc2ccc3cc[nH]c3c2)c([N+](=O)[O-])n1 ZINC000877769701 650903990 /nfs/dbraw/zinc/90/39/90/650903990.db2.gz LRSUSVVKDVEAOR-UHFFFAOYSA-N 1 2 299.334 2.442 20 5 CEBDLO Cn1cc(C[N@@H+](C)Cc2ccc3cc[nH]c3c2)c([N+](=O)[O-])n1 ZINC000877769701 650903991 /nfs/dbraw/zinc/90/39/91/650903991.db2.gz LRSUSVVKDVEAOR-UHFFFAOYSA-N 1 2 299.334 2.442 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(N2CCC[C@H](n3cc[nH+]c3)C2)n1 ZINC000765490720 645776083 /nfs/dbraw/zinc/77/60/83/645776083.db2.gz ORJCENVRBLLSKE-LBPRGKRZSA-N 1 2 287.323 2.336 20 5 CEBDLO C[C@H]1CCOCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000775569079 646966671 /nfs/dbraw/zinc/96/66/71/646966671.db2.gz ZOGKRRDRAMVYAG-VIFPVBQESA-N 1 2 256.327 2.267 20 5 CEBDLO C[C@H]1CCOCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000775569079 646966674 /nfs/dbraw/zinc/96/66/74/646966674.db2.gz ZOGKRRDRAMVYAG-VIFPVBQESA-N 1 2 256.327 2.267 20 5 CEBDLO O=[N+]([O-])c1ccc(N2CC[NH+](CC3(F)CC3)CC2)cc1 ZINC000792765299 648672742 /nfs/dbraw/zinc/67/27/42/648672742.db2.gz GJKVGDXRODMECM-UHFFFAOYSA-N 1 2 279.315 2.219 20 5 CEBDLO Cc1nonc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000872135290 649288141 /nfs/dbraw/zinc/28/81/41/649288141.db2.gz DPVVOSRUNYVGEB-VIFPVBQESA-N 1 2 276.296 2.445 20 5 CEBDLO Cc1[nH]c(CNc2ncc([N+](=O)[O-])s2)[nH+]c1C ZINC001120959134 815301700 /nfs/dbraw/zinc/30/17/00/815301700.db2.gz GDJPNNUGDIWSFG-UHFFFAOYSA-N 1 2 253.287 2.003 20 5 CEBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC(=O)[C@H](C)C1 ZINC001254551194 812485201 /nfs/dbraw/zinc/48/52/01/812485201.db2.gz ZZQWBNQABGZLKP-VXGBXAGGSA-N 1 2 276.336 2.437 20 5 CEBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC(=O)[C@H](C)C1 ZINC001254551194 812485205 /nfs/dbraw/zinc/48/52/05/812485205.db2.gz ZZQWBNQABGZLKP-VXGBXAGGSA-N 1 2 276.336 2.437 20 5 CEBDLO C[C@@](CO)([NH2+]Cc1cnsc1)c1cccc([N+](=O)[O-])c1 ZINC001179353114 816851761 /nfs/dbraw/zinc/85/17/61/816851761.db2.gz NKTTZCRIWWKBED-ZDUSSCGKSA-N 1 2 293.348 2.049 20 5 CEBDLO O=[N+]([O-])c1ccc(NCCn2cc[nH+]c2)c2cccnc21 ZINC000041063376 362015589 /nfs/dbraw/zinc/01/55/89/362015589.db2.gz PCIRAFXIFUTGJH-UHFFFAOYSA-N 1 2 283.291 2.452 20 5 CEBDLO C[C@H](CNc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCOCC1 ZINC000046483293 362182617 /nfs/dbraw/zinc/18/26/17/362182617.db2.gz SVWNJOHKJWXGDN-SNVBAGLBSA-N 1 2 299.758 2.381 20 5 CEBDLO CC(C)(CNc1cccc(F)c1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000057127460 343625007 /nfs/dbraw/zinc/62/50/07/343625007.db2.gz GOALASIUBMZACX-UHFFFAOYSA-N 1 2 297.330 2.257 20 5 CEBDLO Cc1noc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)n1 ZINC000065886910 343703364 /nfs/dbraw/zinc/70/33/64/343703364.db2.gz IZWTXGAEVNIMTA-QMMMGPOBSA-N 1 2 262.269 2.137 20 5 CEBDLO C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093482062 344225508 /nfs/dbraw/zinc/22/55/08/344225508.db2.gz ZQABMDDBNVOEGN-CMPLNLGQSA-N 1 2 280.324 2.036 20 5 CEBDLO C[C@H](O)C[C@H]1CCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093482062 344225511 /nfs/dbraw/zinc/22/55/11/344225511.db2.gz ZQABMDDBNVOEGN-CMPLNLGQSA-N 1 2 280.324 2.036 20 5 CEBDLO CCn1nc(C)c([N+](=O)[O-])c1N[C@H](C)c1[nH]cc[nH+]1 ZINC000139915538 344396138 /nfs/dbraw/zinc/39/61/38/344396138.db2.gz NEXSXZFIZMZBMB-MRVPVSSYSA-N 1 2 264.289 2.016 20 5 CEBDLO C[C@@H]1C[C@H](Nc2cccnc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000590723735 345168666 /nfs/dbraw/zinc/16/86/66/345168666.db2.gz TUOYYZZAYMGSDE-SCZZXKLOSA-N 1 2 259.269 2.304 20 5 CEBDLO Cc1cc(N2CCc3[nH+]c[nH]c3C2)ccc1[N+](=O)[O-] ZINC000590567794 345146027 /nfs/dbraw/zinc/14/60/27/345146027.db2.gz QSSQKXLXNQFCCR-UHFFFAOYSA-N 1 2 258.281 2.189 20 5 CEBDLO Cn1c[nH+]c(CCNc2ccc([N+](=O)[O-])s2)c1 ZINC000591173182 345227824 /nfs/dbraw/zinc/22/78/24/345227824.db2.gz WSILVZFADPQUPZ-UHFFFAOYSA-N 1 2 252.299 2.044 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC(C2(O)CC2)CC1 ZINC000593044415 345427992 /nfs/dbraw/zinc/42/79/92/345427992.db2.gz HLEFYCWAVJORQV-UHFFFAOYSA-N 1 2 292.335 2.037 20 5 CEBDLO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1nccn1C ZINC000594996562 345723482 /nfs/dbraw/zinc/72/34/82/345723482.db2.gz RJHQXBYVLUVDOZ-SECBINFHSA-N 1 2 278.287 2.318 20 5 CEBDLO C[C@@]1(C2CC2)C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000595624616 345831182 /nfs/dbraw/zinc/83/11/82/345831182.db2.gz DTLUNPSKSIHZMW-HNNXBMFYSA-N 1 2 292.335 2.301 20 5 CEBDLO C[C@@]1(C2CC2)C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000595624616 345831185 /nfs/dbraw/zinc/83/11/85/345831185.db2.gz DTLUNPSKSIHZMW-HNNXBMFYSA-N 1 2 292.335 2.301 20 5 CEBDLO C[C@@H]1C[N@H+](CCNc2ccc(F)cc2[N+](=O)[O-])[C@H](C)CO1 ZINC000596429463 346021395 /nfs/dbraw/zinc/02/13/95/346021395.db2.gz JLEBFKJTEPYPML-GHMZBOCLSA-N 1 2 297.330 2.255 20 5 CEBDLO C[C@@H]1C[N@@H+](CCNc2ccc(F)cc2[N+](=O)[O-])[C@H](C)CO1 ZINC000596429463 346021399 /nfs/dbraw/zinc/02/13/99/346021399.db2.gz JLEBFKJTEPYPML-GHMZBOCLSA-N 1 2 297.330 2.255 20 5 CEBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1ccc(F)cc1[N+](=O)[O-] ZINC000596429465 346021487 /nfs/dbraw/zinc/02/14/87/346021487.db2.gz JLEBFKJTEPYPML-MNOVXSKESA-N 1 2 297.330 2.255 20 5 CEBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1ccc(F)cc1[N+](=O)[O-] ZINC000596429465 346021489 /nfs/dbraw/zinc/02/14/89/346021489.db2.gz JLEBFKJTEPYPML-MNOVXSKESA-N 1 2 297.330 2.255 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)Cc1c[nH+]cn1C ZINC000597667884 346213120 /nfs/dbraw/zinc/21/31/20/346213120.db2.gz UWPQFVJYBHRLJS-UHFFFAOYSA-N 1 2 288.307 2.126 20 5 CEBDLO O=[N+]([O-])c1cnn(Cc2cn3cc(Cl)ccc3[nH+]2)c1 ZINC000060816908 362669620 /nfs/dbraw/zinc/66/96/20/362669620.db2.gz FAKSLYROZQVLSZ-UHFFFAOYSA-N 1 2 277.671 2.141 20 5 CEBDLO Cc1cc(C(=O)N[C@@H](C)c2[nH+]ccn2C)cc([N+](=O)[O-])c1 ZINC000598461008 346360294 /nfs/dbraw/zinc/36/02/94/346360294.db2.gz ZDUAUJAEFWRKIT-JTQLQIEISA-N 1 2 288.307 2.128 20 5 CEBDLO O=[N+]([O-])c1c(N[C@@H](CO)CCF)ccc2c[nH+]ccc21 ZINC000599098242 346459672 /nfs/dbraw/zinc/45/96/72/346459672.db2.gz RZKGLZWYRCFHMR-SNVBAGLBSA-N 1 2 279.271 2.275 20 5 CEBDLO Cc1c(C[N@@H+]2CCO[C@H](CCF)C2)cccc1[N+](=O)[O-] ZINC000599641488 346552010 /nfs/dbraw/zinc/55/20/10/346552010.db2.gz IXJCXFUSCNALOW-CYBMUJFWSA-N 1 2 282.315 2.464 20 5 CEBDLO Cc1c(C[N@H+]2CCO[C@H](CCF)C2)cccc1[N+](=O)[O-] ZINC000599641488 346552012 /nfs/dbraw/zinc/55/20/12/346552012.db2.gz IXJCXFUSCNALOW-CYBMUJFWSA-N 1 2 282.315 2.464 20 5 CEBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCO[C@@H](CCF)C2)c1 ZINC000599642658 346552680 /nfs/dbraw/zinc/55/26/80/346552680.db2.gz PHFNXCQKXRRCFF-ZDUSSCGKSA-N 1 2 268.288 2.155 20 5 CEBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCO[C@@H](CCF)C2)c1 ZINC000599642658 346552682 /nfs/dbraw/zinc/55/26/82/346552682.db2.gz PHFNXCQKXRRCFF-ZDUSSCGKSA-N 1 2 268.288 2.155 20 5 CEBDLO O=[N+]([O-])c1cc2c(cc1C[NH2+]Cc1ccco1)OCCO2 ZINC000604532446 347420107 /nfs/dbraw/zinc/42/01/07/347420107.db2.gz UGNNFFOMFIPJLU-UHFFFAOYSA-N 1 2 290.275 2.249 20 5 CEBDLO CC(C)OCC[NH+]1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000610431095 347681467 /nfs/dbraw/zinc/68/14/67/347681467.db2.gz TZIZSGPQJJSYGZ-UHFFFAOYSA-N 1 2 299.396 2.203 20 5 CEBDLO Cc1cc(-n2c[nH+]c(CCCO)c2)ccc1[N+](=O)[O-] ZINC000611297278 347764269 /nfs/dbraw/zinc/76/42/69/347764269.db2.gz YADSEOJFZABOCT-UHFFFAOYSA-N 1 2 261.281 2.014 20 5 CEBDLO C[C@@H](Cn1cc[nH+]c1)Nc1sccc1[N+](=O)[O-] ZINC000611411739 347775335 /nfs/dbraw/zinc/77/53/35/347775335.db2.gz XPISXURNFCCTQZ-QMMMGPOBSA-N 1 2 252.299 2.353 20 5 CEBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC=CCC3)nc2c1 ZINC000618304514 348923750 /nfs/dbraw/zinc/92/37/50/348923750.db2.gz JXCGBXNRZWPTPR-UHFFFAOYSA-N 1 2 258.281 2.233 20 5 CEBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC=CCC3)nc2c1 ZINC000618304514 348923753 /nfs/dbraw/zinc/92/37/53/348923753.db2.gz JXCGBXNRZWPTPR-UHFFFAOYSA-N 1 2 258.281 2.233 20 5 CEBDLO O=[N+]([O-])c1ccc(OC2C[NH+](C[C@@H]3CCC=CO3)C2)cc1 ZINC000297511843 200214971 /nfs/dbraw/zinc/21/49/71/200214971.db2.gz XGHZBGJCIGWWQE-AWEZNQCLSA-N 1 2 290.319 2.351 20 5 CEBDLO O=[N+]([O-])c1cccc(F)c1NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000342224585 216269334 /nfs/dbraw/zinc/26/93/34/216269334.db2.gz ICELFHXJWLCKRN-NSHDSACASA-N 1 2 295.314 2.009 20 5 CEBDLO O=[N+]([O-])c1cccc(F)c1NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000342224585 216269337 /nfs/dbraw/zinc/26/93/37/216269337.db2.gz ICELFHXJWLCKRN-NSHDSACASA-N 1 2 295.314 2.009 20 5 CEBDLO C[C@@H](Nc1sccc1[N+](=O)[O-])[C@@H](C)[NH+]1CCOCC1 ZINC000301974799 201283398 /nfs/dbraw/zinc/28/33/98/201283398.db2.gz BCSLBTKNPFMWLU-NXEZZACHSA-N 1 2 285.369 2.177 20 5 CEBDLO Cc1ccc(C[NH+]2CCN(CC(F)F)CC2)cc1[N+](=O)[O-] ZINC000092586541 364084323 /nfs/dbraw/zinc/08/43/23/364084323.db2.gz WVBFLZXBWCXNBQ-UHFFFAOYSA-N 1 2 299.321 2.286 20 5 CEBDLO CO[C@H](C)C[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000353255774 294266538 /nfs/dbraw/zinc/26/65/38/294266538.db2.gz PIXKXMBQPPNFGZ-SECBINFHSA-N 1 2 256.277 2.201 20 5 CEBDLO CO[C@H](C)C[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000353255774 294266540 /nfs/dbraw/zinc/26/65/40/294266540.db2.gz PIXKXMBQPPNFGZ-SECBINFHSA-N 1 2 256.277 2.201 20 5 CEBDLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000340682115 366984611 /nfs/dbraw/zinc/98/46/11/366984611.db2.gz RYSCOYJZEULXBL-UHFFFAOYSA-N 1 2 297.274 2.361 20 5 CEBDLO CNc1[nH+]cnc2c1cnn2Cc1cccc([N+](=O)[O-])c1C ZINC000181834219 368499316 /nfs/dbraw/zinc/49/93/16/368499316.db2.gz LQGCZCHWUSPLKX-UHFFFAOYSA-N 1 2 298.306 2.133 20 5 CEBDLO COc1ccc(COCc2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000346619686 368737700 /nfs/dbraw/zinc/73/77/00/368737700.db2.gz NVJNFICAGGIFKH-UHFFFAOYSA-N 1 2 263.253 2.043 20 5 CEBDLO Cc1c(C[N@@H+]2CCC[C@@]23CCOC3=O)cccc1[N+](=O)[O-] ZINC000186666343 369015137 /nfs/dbraw/zinc/01/51/37/369015137.db2.gz MDTWHIJJNRSNKB-HNNXBMFYSA-N 1 2 290.319 2.185 20 5 CEBDLO Cc1c(C[N@H+]2CCC[C@@]23CCOC3=O)cccc1[N+](=O)[O-] ZINC000186666343 369015141 /nfs/dbraw/zinc/01/51/41/369015141.db2.gz MDTWHIJJNRSNKB-HNNXBMFYSA-N 1 2 290.319 2.185 20 5 CEBDLO CCC[C@@]1(C)C(=O)NCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000187328359 369139023 /nfs/dbraw/zinc/13/90/23/369139023.db2.gz OMFLUSDIUCUGKA-HNNXBMFYSA-N 1 2 291.351 2.085 20 5 CEBDLO CCC[C@@]1(C)C(=O)NCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000187328359 369139025 /nfs/dbraw/zinc/13/90/25/369139025.db2.gz OMFLUSDIUCUGKA-HNNXBMFYSA-N 1 2 291.351 2.085 20 5 CEBDLO CC(C)[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000330757559 203197199 /nfs/dbraw/zinc/19/71/99/203197199.db2.gz ZQVVDZYSVDTSMZ-OAHLLOKOSA-N 1 2 294.351 2.330 20 5 CEBDLO CC(C)[C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000330757559 203197202 /nfs/dbraw/zinc/19/72/02/203197202.db2.gz ZQVVDZYSVDTSMZ-OAHLLOKOSA-N 1 2 294.351 2.330 20 5 CEBDLO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000352203609 369666552 /nfs/dbraw/zinc/66/65/52/369666552.db2.gz TZCLRABTVOGXEO-JTQLQIEISA-N 1 2 268.288 2.345 20 5 CEBDLO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000352203609 369666560 /nfs/dbraw/zinc/66/65/60/369666560.db2.gz TZCLRABTVOGXEO-JTQLQIEISA-N 1 2 268.288 2.345 20 5 CEBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@@](O)(C3CC3)C2)c(F)c1 ZINC000352402028 369712185 /nfs/dbraw/zinc/71/21/85/369712185.db2.gz KPPBTHVKNJQFBL-AWEZNQCLSA-N 1 2 298.289 2.220 20 5 CEBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@@](O)(C3CC3)C2)c(F)c1 ZINC000352402028 369712189 /nfs/dbraw/zinc/71/21/89/369712189.db2.gz KPPBTHVKNJQFBL-AWEZNQCLSA-N 1 2 298.289 2.220 20 5 CEBDLO CSCC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352674481 369831385 /nfs/dbraw/zinc/83/13/85/369831385.db2.gz DGCTZKOMCYXDGN-UHFFFAOYSA-N 1 2 268.338 2.152 20 5 CEBDLO CSCC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352674481 369831387 /nfs/dbraw/zinc/83/13/87/369831387.db2.gz DGCTZKOMCYXDGN-UHFFFAOYSA-N 1 2 268.338 2.152 20 5 CEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000331655834 204049555 /nfs/dbraw/zinc/04/95/55/204049555.db2.gz SGEMPPONPIEGLW-LBPRGKRZSA-N 1 2 287.323 2.060 20 5 CEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000331655834 204049560 /nfs/dbraw/zinc/04/95/60/204049560.db2.gz SGEMPPONPIEGLW-LBPRGKRZSA-N 1 2 287.323 2.060 20 5 CEBDLO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ncnn2C)cc1[N+](=O)[O-] ZINC000353307170 220018161 /nfs/dbraw/zinc/01/81/61/220018161.db2.gz RBIUQKMAFWFCHD-MNOVXSKESA-N 1 2 289.339 2.444 20 5 CEBDLO COc1cc[nH+]cc1COc1ncc(C)cc1[N+](=O)[O-] ZINC000344088604 217045268 /nfs/dbraw/zinc/04/52/68/217045268.db2.gz ARDYBCFOLYCNPS-UHFFFAOYSA-N 1 2 275.264 2.281 20 5 CEBDLO Cc1nc(N2CCN(c3cccc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000268463421 372108911 /nfs/dbraw/zinc/10/89/11/372108911.db2.gz HVHQBTPYDRLWQN-UHFFFAOYSA-N 1 2 299.334 2.020 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(NCc2cn3c([nH+]2)CCCC3)n1 ZINC000268808498 372234063 /nfs/dbraw/zinc/23/40/63/372234063.db2.gz LOMBHYZGZWARMV-UHFFFAOYSA-N 1 2 287.323 2.443 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CC(O)(C2CC2)C1 ZINC000365708579 372917749 /nfs/dbraw/zinc/91/77/49/372917749.db2.gz AHBXKFAIYHDANY-NSHDSACASA-N 1 2 276.336 2.421 20 5 CEBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC=C(F)C2)c1 ZINC000272562885 373553032 /nfs/dbraw/zinc/55/30/32/373553032.db2.gz UNQNGGMSEOFNJD-ZDUSSCGKSA-N 1 2 266.272 2.187 20 5 CEBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC=C(F)C2)c1 ZINC000272562885 373553039 /nfs/dbraw/zinc/55/30/39/373553039.db2.gz UNQNGGMSEOFNJD-ZDUSSCGKSA-N 1 2 266.272 2.187 20 5 CEBDLO Cc1ccc(CN(C)Cc2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000272712247 373625895 /nfs/dbraw/zinc/62/58/95/373625895.db2.gz CTNXXPWGUKPBLV-UHFFFAOYSA-N 1 2 274.324 2.269 20 5 CEBDLO Cc1cn2c([nH+]1)[C@H](CNc1ncccc1[N+](=O)[O-])CCC2 ZINC000372740414 374188886 /nfs/dbraw/zinc/18/88/86/374188886.db2.gz KXLXXXPSKUVFOO-NSHDSACASA-N 1 2 287.323 2.484 20 5 CEBDLO C[C@@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC[C@@H]1O ZINC000413253138 375776057 /nfs/dbraw/zinc/77/60/57/375776057.db2.gz UFQLSUNRPRWNLQ-YGRLFVJLSA-N 1 2 287.319 2.350 20 5 CEBDLO CC[C@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000330430088 377128390 /nfs/dbraw/zinc/12/83/90/377128390.db2.gz MHLDDGSTMPQVPX-MFKMUULPSA-N 1 2 280.324 2.300 20 5 CEBDLO CC[C@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000330430088 377128395 /nfs/dbraw/zinc/12/83/95/377128395.db2.gz MHLDDGSTMPQVPX-MFKMUULPSA-N 1 2 280.324 2.300 20 5 CEBDLO CC[C@@]1(CO)CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000330456546 377142693 /nfs/dbraw/zinc/14/26/93/377142693.db2.gz PPSIZLUMBOWERJ-OAHLLOKOSA-N 1 2 294.351 2.285 20 5 CEBDLO CC[C@@]1(CO)CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000330456546 377142700 /nfs/dbraw/zinc/14/27/00/377142700.db2.gz PPSIZLUMBOWERJ-OAHLLOKOSA-N 1 2 294.351 2.285 20 5 CEBDLO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)Nc1c[nH]c[nH+]1 ZINC000564537083 377403703 /nfs/dbraw/zinc/40/37/03/377403703.db2.gz PAKUIWKKVYHAIB-VIFPVBQESA-N 1 2 289.295 2.147 20 5 CEBDLO CCc1nnc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)[nH]1 ZINC000294910209 249365220 /nfs/dbraw/zinc/36/52/20/249365220.db2.gz ANYZURLMVOKQMF-UHFFFAOYSA-N 1 2 295.730 2.219 20 5 CEBDLO Cc1ccc[nH+]c1CCCNc1ccncc1[N+](=O)[O-] ZINC000450723131 378548508 /nfs/dbraw/zinc/54/85/08/378548508.db2.gz GRZLZYJSVXTFMH-UHFFFAOYSA-N 1 2 272.308 2.160 20 5 CEBDLO CC(C)[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000296535392 378566976 /nfs/dbraw/zinc/56/69/76/378566976.db2.gz DMZGTFAPPNQNSS-NSHDSACASA-N 1 2 282.344 2.059 20 5 CEBDLO CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000450831327 378601620 /nfs/dbraw/zinc/60/16/20/378601620.db2.gz PDTDSVZGDXXDOQ-SCZZXKLOSA-N 1 2 290.327 2.434 20 5 CEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@](C)(F)C1 ZINC000347343777 218197906 /nfs/dbraw/zinc/19/79/06/218197906.db2.gz HELUIQDIYXZLMA-YGRLFVJLSA-N 1 2 295.314 2.356 20 5 CEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@](C)(F)C1 ZINC000347343777 218197909 /nfs/dbraw/zinc/19/79/09/218197909.db2.gz HELUIQDIYXZLMA-YGRLFVJLSA-N 1 2 295.314 2.356 20 5 CEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@](C)(F)C1 ZINC000347343773 218198342 /nfs/dbraw/zinc/19/83/42/218198342.db2.gz HELUIQDIYXZLMA-HZMBPMFUSA-N 1 2 295.314 2.356 20 5 CEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@](C)(F)C1 ZINC000347343773 218198344 /nfs/dbraw/zinc/19/83/44/218198344.db2.gz HELUIQDIYXZLMA-HZMBPMFUSA-N 1 2 295.314 2.356 20 5 CEBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CC(n2ccnn2)C1 ZINC000347370199 218210144 /nfs/dbraw/zinc/21/01/44/218210144.db2.gz IXBJUCRVRFXWGT-KPKJPENVSA-N 1 2 299.334 2.147 20 5 CEBDLO Cc1nc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)[nH]c1C ZINC000515434979 379218672 /nfs/dbraw/zinc/21/86/72/379218672.db2.gz SAPXRTNRVZFXOK-UHFFFAOYSA-N 1 2 260.297 2.225 20 5 CEBDLO Cc1[nH]c(CNCc2ccc([N+](=O)[O-])cc2)[nH+]c1C ZINC000515434979 379218678 /nfs/dbraw/zinc/21/86/78/379218678.db2.gz SAPXRTNRVZFXOK-UHFFFAOYSA-N 1 2 260.297 2.225 20 5 CEBDLO O=[N+]([O-])c1cc(COc2cc[nH+]cc2)c2c(c1)COCO2 ZINC000356096928 285086407 /nfs/dbraw/zinc/08/64/07/285086407.db2.gz OMEZMUPJQHLFIN-UHFFFAOYSA-N 1 2 288.259 2.435 20 5 CEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N[C@@H]3C=C[C@H](CO)C3)c2c1 ZINC000413181384 394499003 /nfs/dbraw/zinc/49/90/03/394499003.db2.gz ZHRJTENLYJLARQ-CMPLNLGQSA-N 1 2 285.303 2.492 20 5 CEBDLO Cc1cc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000044692858 394508255 /nfs/dbraw/zinc/50/82/55/394508255.db2.gz LTSIGPGCTOZQIO-UHFFFAOYSA-N 1 2 261.281 2.489 20 5 CEBDLO Cc1cc(CNC(=O)Cc2ccccc2[N+](=O)[O-])cc(C)[nH+]1 ZINC000421555319 394551985 /nfs/dbraw/zinc/55/19/85/394551985.db2.gz HYVNYDZBIGCQFP-UHFFFAOYSA-N 1 2 299.330 2.466 20 5 CEBDLO Cc1sc(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000356839129 394627832 /nfs/dbraw/zinc/62/78/32/394627832.db2.gz CWHVAMYEZRQFCQ-DTWKUNHWSA-N 1 2 297.380 2.129 20 5 CEBDLO Cc1sc(C(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000356839129 394627836 /nfs/dbraw/zinc/62/78/36/394627836.db2.gz CWHVAMYEZRQFCQ-DTWKUNHWSA-N 1 2 297.380 2.129 20 5 CEBDLO Cc1noc([C@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000356857115 394632447 /nfs/dbraw/zinc/63/24/47/394632447.db2.gz AKAAVIAVMAHTAM-VIFPVBQESA-N 1 2 276.296 2.445 20 5 CEBDLO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC(F)(F)CN ZINC000414936878 394812155 /nfs/dbraw/zinc/81/21/55/394812155.db2.gz WEOSYXULESIGIJ-SNVBAGLBSA-N 1 2 287.310 2.100 20 5 CEBDLO O=[N+]([O-])c1cc(F)ccc1NCC1([NH+]2CCOCC2)CC1 ZINC000433807397 395249968 /nfs/dbraw/zinc/24/99/68/395249968.db2.gz GOHAMGFDWNOLGV-UHFFFAOYSA-N 1 2 295.314 2.011 20 5 CEBDLO C[N@H+](Cc1cncnc1)Cc1ccccc1[N+](=O)[O-] ZINC000179314814 395190958 /nfs/dbraw/zinc/19/09/58/395190958.db2.gz BBUBLTRVBKBRBU-UHFFFAOYSA-N 1 2 258.281 2.017 20 5 CEBDLO C[N@@H+](Cc1cncnc1)Cc1ccccc1[N+](=O)[O-] ZINC000179314814 395190960 /nfs/dbraw/zinc/19/09/60/395190960.db2.gz BBUBLTRVBKBRBU-UHFFFAOYSA-N 1 2 258.281 2.017 20 5 CEBDLO Nc1cccc(C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000420366041 395354050 /nfs/dbraw/zinc/35/40/50/395354050.db2.gz FJYPXVSYCTZTQC-UHFFFAOYSA-N 1 2 284.319 2.130 20 5 CEBDLO Nc1cccc(C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000420366041 395354052 /nfs/dbraw/zinc/35/40/52/395354052.db2.gz FJYPXVSYCTZTQC-UHFFFAOYSA-N 1 2 284.319 2.130 20 5 CEBDLO CCC(=O)c1ccc(NCC[NH+]2CCC2)c([N+](=O)[O-])c1 ZINC000359548794 155053321 /nfs/dbraw/zinc/05/33/21/155053321.db2.gz BFKVKZOGMPRDOK-UHFFFAOYSA-N 1 2 277.324 2.305 20 5 CEBDLO CC1(C)CC[C@H](C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)O1 ZINC000408467463 276117252 /nfs/dbraw/zinc/11/72/52/276117252.db2.gz OAMLDTJYESCVHF-CYBMUJFWSA-N 1 2 291.351 2.306 20 5 CEBDLO CC1(C)CC[C@H](C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)O1 ZINC000408467463 276117253 /nfs/dbraw/zinc/11/72/53/276117253.db2.gz OAMLDTJYESCVHF-CYBMUJFWSA-N 1 2 291.351 2.306 20 5 CEBDLO CC(C)(CO)[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000339724635 277304452 /nfs/dbraw/zinc/30/44/52/277304452.db2.gz BGLPKERWIJMQKY-AWEZNQCLSA-N 1 2 294.351 2.187 20 5 CEBDLO C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000339086578 278266533 /nfs/dbraw/zinc/26/65/33/278266533.db2.gz RZVUUEZOBADYBV-QWRGUYRKSA-N 1 2 280.324 2.205 20 5 CEBDLO Cc1n[nH]c(C)c1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000124774437 279054684 /nfs/dbraw/zinc/05/46/84/279054684.db2.gz VCKKDWSHVPZVTR-UHFFFAOYSA-N 1 2 286.335 2.493 20 5 CEBDLO Cc1n[nH]c(C)c1C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000124774437 279054685 /nfs/dbraw/zinc/05/46/85/279054685.db2.gz VCKKDWSHVPZVTR-UHFFFAOYSA-N 1 2 286.335 2.493 20 5 CEBDLO CC[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000339507821 280190485 /nfs/dbraw/zinc/19/04/85/280190485.db2.gz FYFPRDLFSZPBLG-OCCSQVGLSA-N 1 2 280.324 2.348 20 5 CEBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000456362542 289597022 /nfs/dbraw/zinc/59/70/22/289597022.db2.gz WUIDAFZPWONHEN-MRVPVSSYSA-N 1 2 294.336 2.364 20 5 CEBDLO COC1C[NH+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000459580680 290185277 /nfs/dbraw/zinc/18/52/77/290185277.db2.gz LEAORMIMECNVFB-IZZDOVSWSA-N 1 2 262.309 2.329 20 5 CEBDLO Cc1sc(C(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000408071428 294072009 /nfs/dbraw/zinc/07/20/09/294072009.db2.gz PNBGDSGVOZMNLK-IUCAKERBSA-N 1 2 297.380 2.129 20 5 CEBDLO Cc1sc(C(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000408071428 294072013 /nfs/dbraw/zinc/07/20/13/294072013.db2.gz PNBGDSGVOZMNLK-IUCAKERBSA-N 1 2 297.380 2.129 20 5 CEBDLO O=[N+]([O-])c1cccc(N2CC[NH+](CC3(F)CC3)CC2)c1 ZINC000525977485 297692857 /nfs/dbraw/zinc/69/28/57/297692857.db2.gz IAUKALLIJWODTM-UHFFFAOYSA-N 1 2 279.315 2.219 20 5 CEBDLO Cc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c(C)c[nH+]1 ZINC000535749057 313396441 /nfs/dbraw/zinc/39/64/41/313396441.db2.gz CCVOMOOKBMZAIO-UHFFFAOYSA-N 1 2 285.303 2.210 20 5 CEBDLO CCc1[nH]nc(C(=O)Nc2ccc(C)[nH+]c2C)c1[N+](=O)[O-] ZINC000192713720 536007922 /nfs/dbraw/zinc/00/79/22/536007922.db2.gz HXJBXXPONKWWJI-UHFFFAOYSA-N 1 2 289.295 2.144 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000934566061 624591501 /nfs/dbraw/zinc/59/15/01/624591501.db2.gz DPCCXNXIJJDSNV-LEWSCRJBSA-N 1 2 282.315 2.369 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000934566061 624591507 /nfs/dbraw/zinc/59/15/07/624591507.db2.gz DPCCXNXIJJDSNV-LEWSCRJBSA-N 1 2 282.315 2.369 20 5 CEBDLO CCn1nc(C)c([N+](=O)[O-])c1NCc1cc[nH+]c(NC)c1 ZINC000895255983 630062918 /nfs/dbraw/zinc/06/29/18/630062918.db2.gz WBOZNCFEOXXMNJ-UHFFFAOYSA-N 1 2 290.327 2.168 20 5 CEBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@@H](O)C(F)(F)F ZINC000801526252 631283403 /nfs/dbraw/zinc/28/34/03/631283403.db2.gz GLKQEZZRXGXKAG-SNVBAGLBSA-N 1 2 296.220 2.089 20 5 CEBDLO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@@H](O)C(F)(F)F ZINC000801526252 631283416 /nfs/dbraw/zinc/28/34/16/631283416.db2.gz GLKQEZZRXGXKAG-SNVBAGLBSA-N 1 2 296.220 2.089 20 5 CEBDLO CCCOC(=O)[C@H](C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000801599829 631296851 /nfs/dbraw/zinc/29/68/51/631296851.db2.gz DWIBYMCVLRVOEZ-LBPRGKRZSA-N 1 2 294.351 2.411 20 5 CEBDLO CCCOC(=O)[C@H](C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000801599829 631296858 /nfs/dbraw/zinc/29/68/58/631296858.db2.gz DWIBYMCVLRVOEZ-LBPRGKRZSA-N 1 2 294.351 2.411 20 5 CEBDLO COc1cc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)on1 ZINC000925314508 631801444 /nfs/dbraw/zinc/80/14/44/631801444.db2.gz SVLGNDRGHWSOOM-SECBINFHSA-N 1 2 277.280 2.442 20 5 CEBDLO CCn1nc(C)c(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)n1 ZINC000818223321 633889380 /nfs/dbraw/zinc/88/93/80/633889380.db2.gz VXWXHLFIOICCED-UHFFFAOYSA-N 1 2 289.339 2.113 20 5 CEBDLO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCCC2(F)F)c1 ZINC000819314221 634136726 /nfs/dbraw/zinc/13/67/26/634136726.db2.gz UUHFAFODBJOSGJ-NWDGAFQWSA-N 1 2 286.278 2.406 20 5 CEBDLO CCCn1cc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)nn1 ZINC000902853947 634867714 /nfs/dbraw/zinc/86/77/14/634867714.db2.gz VVPGMTYQAJFWJM-NSHDSACASA-N 1 2 289.339 2.447 20 5 CEBDLO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CC(C(F)(F)F)C2)cc1 ZINC000828415125 636590298 /nfs/dbraw/zinc/59/02/98/636590298.db2.gz GCQKSXSIJBCIIT-LLVKDONJSA-N 1 2 290.241 2.122 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCN(C2CC2)CC1 ZINC000876566377 650334533 /nfs/dbraw/zinc/33/45/33/650334533.db2.gz IIWJDHFRMPPQLT-UHFFFAOYSA-N 1 2 289.379 2.492 20 5 CEBDLO C[C@H]1CSCC[N@@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000172516398 639771827 /nfs/dbraw/zinc/77/18/27/639771827.db2.gz KBRIEMVGFDIZCE-JTQLQIEISA-N 1 2 292.364 2.339 20 5 CEBDLO C[C@H]1CSCC[N@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000172516398 639771831 /nfs/dbraw/zinc/77/18/31/639771831.db2.gz KBRIEMVGFDIZCE-JTQLQIEISA-N 1 2 292.364 2.339 20 5 CEBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000852536720 643463662 /nfs/dbraw/zinc/46/36/62/643463662.db2.gz GTUFVGSFFCAUIE-GXFFZTMASA-N 1 2 282.727 2.205 20 5 CEBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000852536720 643463666 /nfs/dbraw/zinc/46/36/66/643463666.db2.gz GTUFVGSFFCAUIE-GXFFZTMASA-N 1 2 282.727 2.205 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000877742025 650885316 /nfs/dbraw/zinc/88/53/16/650885316.db2.gz XGSAPHVHHLREIX-JQWIXIFHSA-N 1 2 294.376 2.485 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000877742025 650885321 /nfs/dbraw/zinc/88/53/21/650885321.db2.gz XGSAPHVHHLREIX-JQWIXIFHSA-N 1 2 294.376 2.485 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000877742031 650885626 /nfs/dbraw/zinc/88/56/26/650885626.db2.gz XGSAPHVHHLREIX-ZYHUDNBSSA-N 1 2 294.376 2.485 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000877742031 650885632 /nfs/dbraw/zinc/88/56/32/650885632.db2.gz XGSAPHVHHLREIX-ZYHUDNBSSA-N 1 2 294.376 2.485 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1c(C)noc1C ZINC000112837518 644213716 /nfs/dbraw/zinc/21/37/16/644213716.db2.gz OAXDVGCLUTWIAB-UHFFFAOYSA-N 1 2 291.307 2.498 20 5 CEBDLO C[NH+](C)Cc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1Cl ZINC000839748412 644804415 /nfs/dbraw/zinc/80/44/15/644804415.db2.gz SAPBXINDLDJUCJ-ZYHUDNBSSA-N 1 2 297.742 2.005 20 5 CEBDLO C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CC2[N+](=O)[O-])cc1Cl ZINC000839748412 644804420 /nfs/dbraw/zinc/80/44/20/644804420.db2.gz SAPBXINDLDJUCJ-ZYHUDNBSSA-N 1 2 297.742 2.005 20 5 CEBDLO O=C(OCCn1cc[nH+]c1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000771993954 646581788 /nfs/dbraw/zinc/58/17/88/646581788.db2.gz MTBXNFIUKVWUKB-UHFFFAOYSA-N 1 2 295.682 2.302 20 5 CEBDLO Cc1cc(C(=O)OCc2cc[nH+]c(N)c2)cc([N+](=O)[O-])c1 ZINC000791775298 648564850 /nfs/dbraw/zinc/56/48/50/648564850.db2.gz BQXZFEYDKZLNEI-UHFFFAOYSA-N 1 2 287.275 2.237 20 5 CEBDLO Cc1n[nH]cc1C[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000879189092 651257409 /nfs/dbraw/zinc/25/74/09/651257409.db2.gz ZHUGYKXTYNIYOK-UHFFFAOYSA-N 1 2 278.287 2.397 20 5 CEBDLO Cc1n[nH]cc1C[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000879189092 651257411 /nfs/dbraw/zinc/25/74/11/651257411.db2.gz ZHUGYKXTYNIYOK-UHFFFAOYSA-N 1 2 278.287 2.397 20 5 CEBDLO Cc1cccc(N[C@@H]2CCC[N@@H+](C3COC3)C2)c1[N+](=O)[O-] ZINC001168370093 806923551 /nfs/dbraw/zinc/92/35/51/806923551.db2.gz VCTVUWCCMPLEAV-GFCCVEGCSA-N 1 2 291.351 2.178 20 5 CEBDLO Cc1cccc(N[C@@H]2CCC[N@H+](C3COC3)C2)c1[N+](=O)[O-] ZINC001168370093 806923556 /nfs/dbraw/zinc/92/35/56/806923556.db2.gz VCTVUWCCMPLEAV-GFCCVEGCSA-N 1 2 291.351 2.178 20 5 CEBDLO C[NH+](C)Cc1csc(CNc2ccc([N+](=O)[O-])cn2)n1 ZINC000722390021 804413870 /nfs/dbraw/zinc/41/38/70/804413870.db2.gz GIELEHXIFLSHRF-UHFFFAOYSA-N 1 2 293.352 2.120 20 5 CEBDLO COc1ccc(C[C@H](C)[N@H+]2C[C@H]3C[C@@H](C2)O3)c([N+](=O)[O-])c1 ZINC001170353422 812392334 /nfs/dbraw/zinc/39/23/34/812392334.db2.gz XZQRHFZVRWQXKW-LEWSCRJBSA-N 1 2 292.335 2.008 20 5 CEBDLO COc1ccc(C[C@H](C)[N@@H+]2C[C@H]3C[C@@H](C2)O3)c([N+](=O)[O-])c1 ZINC001170353422 812392344 /nfs/dbraw/zinc/39/23/44/812392344.db2.gz XZQRHFZVRWQXKW-LEWSCRJBSA-N 1 2 292.335 2.008 20 5 CEBDLO COC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000124765892 187152263 /nfs/dbraw/zinc/15/22/63/187152263.db2.gz OLVZHMCFJUYAAO-GFCCVEGCSA-N 1 2 278.308 2.041 20 5 CEBDLO COC(=O)[C@H]1CCC[N@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000124765892 187152264 /nfs/dbraw/zinc/15/22/64/187152264.db2.gz OLVZHMCFJUYAAO-GFCCVEGCSA-N 1 2 278.308 2.041 20 5 CEBDLO C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1nnc2n1CCC2 ZINC000037563114 361903227 /nfs/dbraw/zinc/90/32/27/361903227.db2.gz GZZQFJCIYSAYEU-QMMMGPOBSA-N 1 2 293.352 2.045 20 5 CEBDLO C[C@H]1COCC[N@@H+]1CCSc1cccc([N+](=O)[O-])c1 ZINC000337907839 214308567 /nfs/dbraw/zinc/30/85/67/214308567.db2.gz DWKIIUMIVHGHRR-NSHDSACASA-N 1 2 282.365 2.408 20 5 CEBDLO C[C@H]1COCC[N@H+]1CCSc1cccc([N+](=O)[O-])c1 ZINC000337907839 214308572 /nfs/dbraw/zinc/30/85/72/214308572.db2.gz DWKIIUMIVHGHRR-NSHDSACASA-N 1 2 282.365 2.408 20 5 CEBDLO CCc1c[nH+]ccc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000357580570 529503323 /nfs/dbraw/zinc/50/33/23/529503323.db2.gz IGCQLGGUYGOJND-UHFFFAOYSA-N 1 2 271.276 2.226 20 5 CEBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+](CCO)C2CC2)c1 ZINC000042479094 362098536 /nfs/dbraw/zinc/09/85/36/362098536.db2.gz PXKPNDJXUVFXQK-UHFFFAOYSA-N 1 2 270.716 2.205 20 5 CEBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+](CCO)C2CC2)c1 ZINC000042479094 362098539 /nfs/dbraw/zinc/09/85/39/362098539.db2.gz PXKPNDJXUVFXQK-UHFFFAOYSA-N 1 2 270.716 2.205 20 5 CEBDLO CO[C@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000449497097 282258654 /nfs/dbraw/zinc/25/86/54/282258654.db2.gz KEARXLUWKPBNHQ-HZMBPMFUSA-N 1 2 280.324 2.157 20 5 CEBDLO CO[C@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000449497097 282258657 /nfs/dbraw/zinc/25/86/57/282258657.db2.gz KEARXLUWKPBNHQ-HZMBPMFUSA-N 1 2 280.324 2.157 20 5 CEBDLO CC(C)[C@@H](CNc1ccsc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000067911511 343748493 /nfs/dbraw/zinc/74/84/93/343748493.db2.gz GSPIGIUTNSGCCW-GFCCVEGCSA-N 1 2 299.396 2.425 20 5 CEBDLO COC[C@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000093337359 344220393 /nfs/dbraw/zinc/22/03/93/344220393.db2.gz AMTWPVRGNNNKKA-NSHDSACASA-N 1 2 280.324 2.159 20 5 CEBDLO COC[C@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000093337359 344220395 /nfs/dbraw/zinc/22/03/95/344220395.db2.gz AMTWPVRGNNNKKA-NSHDSACASA-N 1 2 280.324 2.159 20 5 CEBDLO COc1ccc(C[N@@H+]2C[C@@H](C)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000051474737 362431289 /nfs/dbraw/zinc/43/12/89/362431289.db2.gz MCZAWCYZQVWXII-GHMZBOCLSA-N 1 2 280.324 2.213 20 5 CEBDLO COc1ccc(C[N@H+]2C[C@@H](C)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000051474737 362431293 /nfs/dbraw/zinc/43/12/93/362431293.db2.gz MCZAWCYZQVWXII-GHMZBOCLSA-N 1 2 280.324 2.213 20 5 CEBDLO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1cnccn1 ZINC000177120311 530023070 /nfs/dbraw/zinc/02/30/70/530023070.db2.gz PWNPLOZYYZTDSX-UHFFFAOYSA-N 1 2 299.290 2.158 20 5 CEBDLO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1cnccn1 ZINC000177120311 530023071 /nfs/dbraw/zinc/02/30/71/530023071.db2.gz PWNPLOZYYZTDSX-UHFFFAOYSA-N 1 2 299.290 2.158 20 5 CEBDLO O=C(Nc1ccc2[nH+]ccn2c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000586779824 345021290 /nfs/dbraw/zinc/02/12/90/345021290.db2.gz ZVTYMKKVBPFLKG-UHFFFAOYSA-N 1 2 298.258 2.200 20 5 CEBDLO C[C@@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)c2ncnn21 ZINC000594956144 345715753 /nfs/dbraw/zinc/71/57/53/345715753.db2.gz FXLKHLAUZUBBLC-APPZFPTMSA-N 1 2 279.325 2.043 20 5 CEBDLO C[C@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H]1CCO ZINC000595695388 345851171 /nfs/dbraw/zinc/85/11/71/345851171.db2.gz HFCHMWJTTLRRMD-FZMZJTMJSA-N 1 2 294.351 2.283 20 5 CEBDLO C[C@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H]1CCO ZINC000595695388 345851174 /nfs/dbraw/zinc/85/11/74/345851174.db2.gz HFCHMWJTTLRRMD-FZMZJTMJSA-N 1 2 294.351 2.283 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000598459963 346360399 /nfs/dbraw/zinc/36/03/99/346360399.db2.gz PNMZSLAOELOHKH-JTQLQIEISA-N 1 2 288.307 2.128 20 5 CEBDLO C[C@@H](C[S@](C)=O)Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599066653 346454679 /nfs/dbraw/zinc/45/46/79/346454679.db2.gz URVLHJMBTWXLHT-LXGOIASLSA-N 1 2 293.348 2.322 20 5 CEBDLO CC1(O)C[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000602689451 347148223 /nfs/dbraw/zinc/14/82/23/347148223.db2.gz UNQSMNRGFQOEPS-UHFFFAOYSA-N 1 2 288.303 2.421 20 5 CEBDLO C[C@H]1CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000603267842 347325639 /nfs/dbraw/zinc/32/56/39/347325639.db2.gz WCAPALLFASHLGG-JTQLQIEISA-N 1 2 286.291 2.015 20 5 CEBDLO CC(C)(CNc1ccc([N+](=O)[O-])s1)[NH+]1CCOCC1 ZINC000603937085 347399779 /nfs/dbraw/zinc/39/97/79/347399779.db2.gz GWLFSLJKRDYWAQ-UHFFFAOYSA-N 1 2 285.369 2.179 20 5 CEBDLO O=[N+]([O-])c1ccc(N2CCC[C@@H](n3cc[nH+]c3)C2)cn1 ZINC000609797245 347651074 /nfs/dbraw/zinc/65/10/74/347651074.db2.gz YAXCPSHNUZGLOB-GFCCVEGCSA-N 1 2 273.296 2.028 20 5 CEBDLO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000610276475 347668060 /nfs/dbraw/zinc/66/80/60/347668060.db2.gz ZAEQHJPLXFCYMJ-LBPRGKRZSA-N 1 2 287.323 2.336 20 5 CEBDLO O=[N+]([O-])c1ccccc1C=CC[N@@H+]1CCc2cn[nH]c2C1 ZINC000611273687 347761939 /nfs/dbraw/zinc/76/19/39/347761939.db2.gz QPHLCBSBYJWKJX-HYXAFXHYSA-N 1 2 284.319 2.389 20 5 CEBDLO O=[N+]([O-])c1ccccc1C=CC[N@H+]1CCc2cn[nH]c2C1 ZINC000611273687 347761940 /nfs/dbraw/zinc/76/19/40/347761940.db2.gz QPHLCBSBYJWKJX-HYXAFXHYSA-N 1 2 284.319 2.389 20 5 CEBDLO CN(Cc1[nH+]ccn1C)c1sccc1[N+](=O)[O-] ZINC000611411398 347775662 /nfs/dbraw/zinc/77/56/62/347775662.db2.gz RSBCNZQTKKUIFU-UHFFFAOYSA-N 1 2 252.299 2.026 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCOCC2(CC2)C1 ZINC000611813127 347818797 /nfs/dbraw/zinc/81/87/97/347818797.db2.gz GKZKBOFSJOAMFL-UHFFFAOYSA-N 1 2 292.335 2.216 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCOCC2(CC2)C1 ZINC000611813127 347818799 /nfs/dbraw/zinc/81/87/99/347818799.db2.gz GKZKBOFSJOAMFL-UHFFFAOYSA-N 1 2 292.335 2.216 20 5 CEBDLO COc1cc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000351983279 219274345 /nfs/dbraw/zinc/27/43/45/219274345.db2.gz HMKLPHGUMZDZFR-PHIMTYICSA-N 1 2 280.324 2.213 20 5 CEBDLO COc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000351983279 219274347 /nfs/dbraw/zinc/27/43/47/219274347.db2.gz HMKLPHGUMZDZFR-PHIMTYICSA-N 1 2 280.324 2.213 20 5 CEBDLO C[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H](C2CC2)O1 ZINC000619431546 349179577 /nfs/dbraw/zinc/17/95/77/349179577.db2.gz TYSNLOCFWWAWQV-MEBBXXQBSA-N 1 2 292.335 2.300 20 5 CEBDLO C[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H](C2CC2)O1 ZINC000619431546 349179580 /nfs/dbraw/zinc/17/95/80/349179580.db2.gz TYSNLOCFWWAWQV-MEBBXXQBSA-N 1 2 292.335 2.300 20 5 CEBDLO CC[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H](C)CO ZINC000292118419 198170110 /nfs/dbraw/zinc/17/01/10/198170110.db2.gz HUBIOYDRERQYKJ-MRVPVSSYSA-N 1 2 274.267 2.076 20 5 CEBDLO CC[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H](C)CO ZINC000292118419 198170111 /nfs/dbraw/zinc/17/01/11/198170111.db2.gz HUBIOYDRERQYKJ-MRVPVSSYSA-N 1 2 274.267 2.076 20 5 CEBDLO O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cc[nH+]cc1O ZINC000131989737 366107700 /nfs/dbraw/zinc/10/77/00/366107700.db2.gz VKNSAJYSWHJACR-UHFFFAOYSA-N 1 2 287.275 2.267 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@H](CF)C1 ZINC000414471620 236375586 /nfs/dbraw/zinc/37/55/86/236375586.db2.gz PTEBXPWWNZFAQE-CYBMUJFWSA-N 1 2 268.288 2.074 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@H](CF)C1 ZINC000414471620 236375590 /nfs/dbraw/zinc/37/55/90/236375590.db2.gz PTEBXPWWNZFAQE-CYBMUJFWSA-N 1 2 268.288 2.074 20 5 CEBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@](F)(CO)C1 ZINC000338590760 366430019 /nfs/dbraw/zinc/43/00/19/366430019.db2.gz UEJNSDVQZZDYGH-ZWNOBZJWSA-N 1 2 268.288 2.062 20 5 CEBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@](F)(CO)C1 ZINC000338590760 366430028 /nfs/dbraw/zinc/43/00/28/366430028.db2.gz UEJNSDVQZZDYGH-ZWNOBZJWSA-N 1 2 268.288 2.062 20 5 CEBDLO CCn1cc[nH+]c1CNc1ncc([N+](=O)[O-])cc1C ZINC000294948531 199265642 /nfs/dbraw/zinc/26/56/42/199265642.db2.gz IUZKYYZFZNGAEM-UHFFFAOYSA-N 1 2 261.285 2.127 20 5 CEBDLO C[C@H]1OCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000155973023 291206117 /nfs/dbraw/zinc/20/61/17/291206117.db2.gz WWXZFQDDFKHDRT-WDEREUQCSA-N 1 2 250.298 2.204 20 5 CEBDLO C[C@H]1OCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000155973023 291206118 /nfs/dbraw/zinc/20/61/18/291206118.db2.gz WWXZFQDDFKHDRT-WDEREUQCSA-N 1 2 250.298 2.204 20 5 CEBDLO C[C@H]1CC[C@@](CO)([N@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339100305 366654538 /nfs/dbraw/zinc/65/45/38/366654538.db2.gz KIEYBDWJPSZHPQ-XHDPSFHLSA-N 1 2 294.351 2.283 20 5 CEBDLO C[C@H]1CC[C@@](CO)([N@@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339100305 366654543 /nfs/dbraw/zinc/65/45/43/366654543.db2.gz KIEYBDWJPSZHPQ-XHDPSFHLSA-N 1 2 294.351 2.283 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H](CO)c1ccccc1 ZINC000339080494 366644437 /nfs/dbraw/zinc/64/44/37/366644437.db2.gz DJYDHYPNYRRTJA-AWEZNQCLSA-N 1 2 288.303 2.124 20 5 CEBDLO COc1ccc(C[N@H+](C)Cc2cnccn2)cc1[N+](=O)[O-] ZINC000177229397 189037952 /nfs/dbraw/zinc/03/79/52/189037952.db2.gz RFFGKOGGWMTECP-UHFFFAOYSA-N 1 2 288.307 2.025 20 5 CEBDLO COc1ccc(C[N@@H+](C)Cc2cnccn2)cc1[N+](=O)[O-] ZINC000177229397 189037953 /nfs/dbraw/zinc/03/79/53/189037953.db2.gz RFFGKOGGWMTECP-UHFFFAOYSA-N 1 2 288.307 2.025 20 5 CEBDLO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000084223660 363802939 /nfs/dbraw/zinc/80/29/39/363802939.db2.gz VZBOVVMFBSDYJM-NSHDSACASA-N 1 2 294.351 2.457 20 5 CEBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccno1 ZINC000582301601 366892252 /nfs/dbraw/zinc/89/22/52/366892252.db2.gz MJLLINJSGZACBG-UHFFFAOYSA-N 1 2 277.280 2.271 20 5 CEBDLO COC[C@H]1C[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000245537857 370834258 /nfs/dbraw/zinc/83/42/58/370834258.db2.gz YUOCLUJMTPWAQI-GXTWGEPZSA-N 1 2 294.351 2.311 20 5 CEBDLO COC[C@H]1C[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000245537857 370834262 /nfs/dbraw/zinc/83/42/62/370834262.db2.gz YUOCLUJMTPWAQI-GXTWGEPZSA-N 1 2 294.351 2.311 20 5 CEBDLO CO[C@@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000170818319 367422780 /nfs/dbraw/zinc/42/27/80/367422780.db2.gz LIYRSXAKQNHMCO-SNVBAGLBSA-N 1 2 256.327 2.267 20 5 CEBDLO CO[C@@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000170818319 367422783 /nfs/dbraw/zinc/42/27/83/367422783.db2.gz LIYRSXAKQNHMCO-SNVBAGLBSA-N 1 2 256.327 2.267 20 5 CEBDLO C[C@H]1CCN(c2ccc([N+](=O)[O-])nc2)C[C@@H]1n1cc[nH+]c1 ZINC000345312956 368231603 /nfs/dbraw/zinc/23/16/03/368231603.db2.gz STCNULHYXWGTRZ-AAEUAGOBSA-N 1 2 287.323 2.274 20 5 CEBDLO Cc1cnc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])nc1 ZINC000352571741 369790155 /nfs/dbraw/zinc/79/01/55/369790155.db2.gz YNWSSNDIEWJFSJ-UHFFFAOYSA-N 1 2 286.335 2.368 20 5 CEBDLO Cc1cnc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])nc1 ZINC000352571741 369790161 /nfs/dbraw/zinc/79/01/61/369790161.db2.gz YNWSSNDIEWJFSJ-UHFFFAOYSA-N 1 2 286.335 2.368 20 5 CEBDLO COc1cc(C[N@@H+]2CCOC[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000364052683 372656334 /nfs/dbraw/zinc/65/63/34/372656334.db2.gz AQSCIOPQHIDPEB-SNVBAGLBSA-N 1 2 298.314 2.211 20 5 CEBDLO COc1cc(C[N@H+]2CCOC[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000364052683 372656340 /nfs/dbraw/zinc/65/63/40/372656340.db2.gz AQSCIOPQHIDPEB-SNVBAGLBSA-N 1 2 298.314 2.211 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCOCC23CCC3)cc1F ZINC000373746600 374413213 /nfs/dbraw/zinc/41/32/13/374413213.db2.gz PDUAJMNJRUNQTR-UHFFFAOYSA-N 1 2 280.299 2.489 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCOCC23CCC3)cc1F ZINC000373746600 374413221 /nfs/dbraw/zinc/41/32/21/374413221.db2.gz PDUAJMNJRUNQTR-UHFFFAOYSA-N 1 2 280.299 2.489 20 5 CEBDLO Cc1ccc(C[N@H+]2CC[C@H](C)[S@](=O)CC2)cc1[N+](=O)[O-] ZINC000277443466 374522121 /nfs/dbraw/zinc/52/21/21/374522121.db2.gz JKZSVHRFANMFQZ-FKIZINRSSA-N 1 2 296.392 2.246 20 5 CEBDLO Cc1ccc(C[N@@H+]2CC[C@H](C)[S@](=O)CC2)cc1[N+](=O)[O-] ZINC000277443466 374522123 /nfs/dbraw/zinc/52/21/23/374522123.db2.gz JKZSVHRFANMFQZ-FKIZINRSSA-N 1 2 296.392 2.246 20 5 CEBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000280678096 375282191 /nfs/dbraw/zinc/28/21/91/375282191.db2.gz FRZHQLUPUCPYOG-OCCSQVGLSA-N 1 2 292.335 2.227 20 5 CEBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000280678096 375282200 /nfs/dbraw/zinc/28/22/00/375282200.db2.gz FRZHQLUPUCPYOG-OCCSQVGLSA-N 1 2 292.335 2.227 20 5 CEBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000249050071 296234427 /nfs/dbraw/zinc/23/44/27/296234427.db2.gz WPOPPTWWQIQRQV-WFASDCNBSA-N 1 2 292.335 2.147 20 5 CEBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000249050071 296234429 /nfs/dbraw/zinc/23/44/29/296234429.db2.gz WPOPPTWWQIQRQV-WFASDCNBSA-N 1 2 292.335 2.147 20 5 CEBDLO Cc1noc(C(C)(C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000283944997 375786605 /nfs/dbraw/zinc/78/66/05/375786605.db2.gz JXQBKSLAWRTCIH-UHFFFAOYSA-N 1 2 276.296 2.311 20 5 CEBDLO C[C@@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC[C@H]1O ZINC000413253135 375775776 /nfs/dbraw/zinc/77/57/76/375775776.db2.gz UFQLSUNRPRWNLQ-QMTHXVAHSA-N 1 2 287.319 2.350 20 5 CEBDLO CN(Cc1[nH+]ccn1C)c1c(F)cccc1[N+](=O)[O-] ZINC000286273854 375896026 /nfs/dbraw/zinc/89/60/26/375896026.db2.gz WSEZVWCDLAUMQP-UHFFFAOYSA-N 1 2 264.260 2.104 20 5 CEBDLO CC[C@@H](Nc1c([N+](=O)[O-])nc(C)n1CC)c1[nH]cc[nH+]1 ZINC000313734218 376750671 /nfs/dbraw/zinc/75/06/71/376750671.db2.gz YXSKFFLRKVYSDA-SECBINFHSA-N 1 2 278.316 2.406 20 5 CEBDLO CCn1ncnc1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292070752 377224629 /nfs/dbraw/zinc/22/46/29/377224629.db2.gz DMMDLAQNOKVYOG-UHFFFAOYSA-N 1 2 289.339 2.231 20 5 CEBDLO Cc1c(C[N@@H+]2C[C@@H](C)[S@](=O)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000331192348 377321326 /nfs/dbraw/zinc/32/13/26/377321326.db2.gz XLUCIHAKBREADP-CGEVSNMPSA-N 1 2 296.392 2.245 20 5 CEBDLO Cc1c(C[N@H+]2C[C@@H](C)[S@](=O)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000331192348 377321336 /nfs/dbraw/zinc/32/13/36/377321336.db2.gz XLUCIHAKBREADP-CGEVSNMPSA-N 1 2 296.392 2.245 20 5 CEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000293362359 377537547 /nfs/dbraw/zinc/53/75/47/377537547.db2.gz INEZMIKQTXNQTC-VWYCJHECSA-N 1 2 277.324 2.262 20 5 CEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)[C@@H]1C ZINC000293362359 377537549 /nfs/dbraw/zinc/53/75/49/377537549.db2.gz INEZMIKQTXNQTC-VWYCJHECSA-N 1 2 277.324 2.262 20 5 CEBDLO C[C@H]1CSCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000332333200 377570129 /nfs/dbraw/zinc/57/01/29/377570129.db2.gz PRDXVYUEJHBLMM-SNVBAGLBSA-N 1 2 282.365 2.485 20 5 CEBDLO C[C@H]1CSCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000332333200 377570134 /nfs/dbraw/zinc/57/01/34/377570134.db2.gz PRDXVYUEJHBLMM-SNVBAGLBSA-N 1 2 282.365 2.485 20 5 CEBDLO COc1cccc([N+](=O)[O-])c1N[C@H](C)Cn1cc[nH+]c1 ZINC000565222750 377615443 /nfs/dbraw/zinc/61/54/43/377615443.db2.gz QXYPENAMJNTKAT-SNVBAGLBSA-N 1 2 276.296 2.301 20 5 CEBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCn2cc[nH+]c2C1 ZINC000332654583 377653788 /nfs/dbraw/zinc/65/37/88/377653788.db2.gz VGUVQPZNYZYIGM-NSHDSACASA-N 1 2 272.308 2.368 20 5 CEBDLO CC(C)CC[C@@H](O)C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332726951 377684467 /nfs/dbraw/zinc/68/44/67/377684467.db2.gz UJNVPZUTJHHLJE-CQSZACIVSA-N 1 2 293.367 2.145 20 5 CEBDLO CC(C)CC[C@@H](O)C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332726951 377684475 /nfs/dbraw/zinc/68/44/75/377684475.db2.gz UJNVPZUTJHHLJE-CQSZACIVSA-N 1 2 293.367 2.145 20 5 CEBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C)CC1 ZINC000347340291 218195032 /nfs/dbraw/zinc/19/50/32/218195032.db2.gz NVDFGHDUFHHNND-RAXLEYEMSA-N 1 2 275.352 2.246 20 5 CEBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000347366084 218208412 /nfs/dbraw/zinc/20/84/12/218208412.db2.gz IKNABKQIXLJTKS-FZMZJTMJSA-N 1 2 282.315 2.452 20 5 CEBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@](F)(CO)C1 ZINC000347366084 218208414 /nfs/dbraw/zinc/20/84/14/218208414.db2.gz IKNABKQIXLJTKS-FZMZJTMJSA-N 1 2 282.315 2.452 20 5 CEBDLO C[C@H]([NH2+]Cc1nnc(C2CC2)[nH]1)c1ccccc1[N+](=O)[O-] ZINC000347649162 218307184 /nfs/dbraw/zinc/30/71/84/218307184.db2.gz IBDMYSJHBAYGTE-VIFPVBQESA-N 1 2 287.323 2.441 20 5 CEBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@H](O)C1 ZINC000050445148 285088825 /nfs/dbraw/zinc/08/88/25/285088825.db2.gz KQRXVTHWOUMDDG-NSHDSACASA-N 1 2 270.716 2.205 20 5 CEBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@H](O)C1 ZINC000050445148 285088827 /nfs/dbraw/zinc/08/88/27/285088827.db2.gz KQRXVTHWOUMDDG-NSHDSACASA-N 1 2 270.716 2.205 20 5 CEBDLO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCc3[nH]ncc32)cc1 ZINC000375803347 285115725 /nfs/dbraw/zinc/11/57/25/285115725.db2.gz ZXYCLRWTDCYRGC-ZDUSSCGKSA-N 1 2 272.308 2.485 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@H](CCO)CC1 ZINC000421024460 394469871 /nfs/dbraw/zinc/46/98/71/394469871.db2.gz XIYDQRTXNXEDAS-LBPRGKRZSA-N 1 2 294.351 2.285 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@H](CCO)CC1 ZINC000421024460 394469877 /nfs/dbraw/zinc/46/98/77/394469877.db2.gz XIYDQRTXNXEDAS-LBPRGKRZSA-N 1 2 294.351 2.285 20 5 CEBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@@]12CCOC2 ZINC000421028161 394472816 /nfs/dbraw/zinc/47/28/16/394472816.db2.gz WCEGTDRGIMAVDP-ZDUSSCGKSA-N 1 2 266.272 2.099 20 5 CEBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@@]12CCOC2 ZINC000421028161 394472820 /nfs/dbraw/zinc/47/28/20/394472820.db2.gz WCEGTDRGIMAVDP-ZDUSSCGKSA-N 1 2 266.272 2.099 20 5 CEBDLO CC[C@H](CO)Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413227120 394508356 /nfs/dbraw/zinc/50/83/56/394508356.db2.gz OWFYWKYATWCYIQ-SNVBAGLBSA-N 1 2 261.281 2.326 20 5 CEBDLO Cc1cc(N2CCC[C@@H]2c2[nH]cc[nH+]2)ncc1[N+](=O)[O-] ZINC000374780478 395087116 /nfs/dbraw/zinc/08/71/16/395087116.db2.gz NAAPNAYFTXZBMQ-SNVBAGLBSA-N 1 2 273.296 2.363 20 5 CEBDLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000348289407 395141468 /nfs/dbraw/zinc/14/14/68/395141468.db2.gz XFJIWBPUBFKTLD-SFYZADRCSA-N 1 2 292.261 2.101 20 5 CEBDLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000348289407 395141472 /nfs/dbraw/zinc/14/14/72/395141472.db2.gz XFJIWBPUBFKTLD-SFYZADRCSA-N 1 2 292.261 2.101 20 5 CEBDLO Cc1cccc(CCNc2ccc([N+](=O)[O-])nc2)[nH+]1 ZINC000359833665 155145596 /nfs/dbraw/zinc/14/55/96/155145596.db2.gz RNTAQBPOMOKYDY-UHFFFAOYSA-N 1 2 258.281 2.348 20 5 CEBDLO Cc1nc(N(C)Cc2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC000360535191 155323091 /nfs/dbraw/zinc/32/30/91/155323091.db2.gz NUITWNNIUFKDHH-UHFFFAOYSA-N 1 2 258.281 2.330 20 5 CEBDLO Cc1cc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc[nH+]1 ZINC000010163038 170399287 /nfs/dbraw/zinc/39/92/87/170399287.db2.gz SYDYWNKUCCHRHF-UHFFFAOYSA-N 1 2 272.264 2.133 20 5 CEBDLO COC[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CC(C)(C)O1 ZINC000284508571 196073615 /nfs/dbraw/zinc/07/36/15/196073615.db2.gz IUXUVADMOFWJTR-CQSZACIVSA-N 1 2 294.351 2.221 20 5 CEBDLO COC[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC(C)(C)O1 ZINC000284508571 196073617 /nfs/dbraw/zinc/07/36/17/196073617.db2.gz IUXUVADMOFWJTR-CQSZACIVSA-N 1 2 294.351 2.221 20 5 CEBDLO C[C@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H]1CO ZINC000285166893 196212106 /nfs/dbraw/zinc/21/21/06/196212106.db2.gz CGBLNJAYAWICGS-ISVAXAHUSA-N 1 2 286.278 2.076 20 5 CEBDLO C[C@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H]1CO ZINC000285166893 196212108 /nfs/dbraw/zinc/21/21/08/196212108.db2.gz CGBLNJAYAWICGS-ISVAXAHUSA-N 1 2 286.278 2.076 20 5 CEBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)cs1 ZINC000425357850 264131718 /nfs/dbraw/zinc/13/17/18/264131718.db2.gz YRAPWPIIWFFCTK-LLVKDONJSA-N 1 2 293.352 2.085 20 5 CEBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](n3ccnn3)C2)cs1 ZINC000425357850 264131720 /nfs/dbraw/zinc/13/17/20/264131720.db2.gz YRAPWPIIWFFCTK-LLVKDONJSA-N 1 2 293.352 2.085 20 5 CEBDLO CCN(CC)C(=O)[C@@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192643195 270278996 /nfs/dbraw/zinc/27/89/96/270278996.db2.gz AEQWEHVKCFSTCP-GFCCVEGCSA-N 1 2 293.367 2.284 20 5 CEBDLO CCN(CC)C(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192643195 270278997 /nfs/dbraw/zinc/27/89/97/270278997.db2.gz AEQWEHVKCFSTCP-GFCCVEGCSA-N 1 2 293.367 2.284 20 5 CEBDLO C[C@]1(F)CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339059954 280162511 /nfs/dbraw/zinc/16/25/11/280162511.db2.gz CYUOXJYQRQKHTL-LBPRGKRZSA-N 1 2 254.261 2.234 20 5 CEBDLO C[C@]1(F)CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339059954 280162516 /nfs/dbraw/zinc/16/25/16/280162516.db2.gz CYUOXJYQRQKHTL-LBPRGKRZSA-N 1 2 254.261 2.234 20 5 CEBDLO O=[N+]([O-])c1cnc(N2CCC[C@@H]2c2[nH]cc[nH+]2)s1 ZINC000375595001 280379334 /nfs/dbraw/zinc/37/93/34/280379334.db2.gz CVTSQHOMBCKAML-SSDOTTSWSA-N 1 2 265.298 2.116 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1ccn(C)n1 ZINC000459781018 290237967 /nfs/dbraw/zinc/23/79/67/290237967.db2.gz GQQBPOAYRHUFFY-SNVBAGLBSA-N 1 2 290.323 2.188 20 5 CEBDLO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000566193628 298954740 /nfs/dbraw/zinc/95/47/40/298954740.db2.gz NRDTZEUBXWPWEK-MWLCHTKSSA-N 1 2 293.323 2.147 20 5 CEBDLO C[C@@H](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)n1cc[nH+]c1 ZINC000514675267 313052812 /nfs/dbraw/zinc/05/28/12/313052812.db2.gz DVIARRWHIXZXBC-NSHDSACASA-N 1 2 288.307 2.405 20 5 CEBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CC1(F)CC1)CC2 ZINC000525978386 313153511 /nfs/dbraw/zinc/15/35/11/313153511.db2.gz VFYQQGLGJTUXEI-UHFFFAOYSA-N 1 2 250.273 2.455 20 5 CEBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CC1(F)CC1)CC2 ZINC000525978386 313153512 /nfs/dbraw/zinc/15/35/12/313153512.db2.gz VFYQQGLGJTUXEI-UHFFFAOYSA-N 1 2 250.273 2.455 20 5 CEBDLO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000572975491 314134550 /nfs/dbraw/zinc/13/45/50/314134550.db2.gz WOWJCOSMMKOHFQ-LBPRGKRZSA-N 1 2 299.334 2.367 20 5 CEBDLO C[C@@H](C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[NH+]1CC(C)C1 ZINC000577506999 314384661 /nfs/dbraw/zinc/38/46/61/314384661.db2.gz MXPGBQNTKWPKOX-VIFPVBQESA-N 1 2 281.287 2.013 20 5 CEBDLO CCOC(=O)C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000049574194 520764951 /nfs/dbraw/zinc/76/49/51/520764951.db2.gz ZBQNINFOBJZILY-UHFFFAOYSA-N 1 2 292.335 2.165 20 5 CEBDLO CCOC(=O)C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000049574194 520764956 /nfs/dbraw/zinc/76/49/56/520764956.db2.gz ZBQNINFOBJZILY-UHFFFAOYSA-N 1 2 292.335 2.165 20 5 CEBDLO COC[C@@H]1C[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000182808870 522510351 /nfs/dbraw/zinc/51/03/51/522510351.db2.gz YUOCLUJMTPWAQI-OCCSQVGLSA-N 1 2 294.351 2.311 20 5 CEBDLO COC[C@@H]1C[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000182808870 522510360 /nfs/dbraw/zinc/51/03/60/522510360.db2.gz YUOCLUJMTPWAQI-OCCSQVGLSA-N 1 2 294.351 2.311 20 5 CEBDLO O=[N+]([O-])c1cccc(-c2csc([C@H]3COCC[NH2+]3)n2)c1 ZINC000226469489 527382885 /nfs/dbraw/zinc/38/28/85/527382885.db2.gz VZCXHQCCMOFNAV-LLVKDONJSA-N 1 2 291.332 2.379 20 5 CEBDLO O=[N+]([O-])c1cccc(-c2csc([C@@H]3COCC[NH2+]3)n2)c1 ZINC000226469486 527383771 /nfs/dbraw/zinc/38/37/71/527383771.db2.gz VZCXHQCCMOFNAV-NSHDSACASA-N 1 2 291.332 2.379 20 5 CEBDLO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000743483273 575105091 /nfs/dbraw/zinc/10/50/91/575105091.db2.gz ZGQOFUPMUXHIDH-NSHDSACASA-N 1 2 294.351 2.457 20 5 CEBDLO Cc1c(OC(=O)CCCn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000748623664 575191428 /nfs/dbraw/zinc/19/14/28/575191428.db2.gz MQPASDXJPGFBKI-UHFFFAOYSA-N 1 2 289.291 2.486 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCn2cccc2C1 ZINC000932526634 622942214 /nfs/dbraw/zinc/94/22/14/622942214.db2.gz NZLRXUJNFOVDJR-UHFFFAOYSA-N 1 2 287.319 2.421 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCn2cccc2C1 ZINC000932526634 622942217 /nfs/dbraw/zinc/94/22/17/622942217.db2.gz NZLRXUJNFOVDJR-UHFFFAOYSA-N 1 2 287.319 2.421 20 5 CEBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@@H](F)C2)c1 ZINC000902994831 634922827 /nfs/dbraw/zinc/92/28/27/634922827.db2.gz JCPXCTBHMCKDQE-YPMHNXCESA-N 1 2 268.288 2.062 20 5 CEBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@@H](F)C2)c1 ZINC000902994831 634922830 /nfs/dbraw/zinc/92/28/30/634922830.db2.gz JCPXCTBHMCKDQE-YPMHNXCESA-N 1 2 268.288 2.062 20 5 CEBDLO CC(C)(CCC(=O)Nc1ccc2[nH+]ccn2c1)[N+](=O)[O-] ZINC000823277687 635122006 /nfs/dbraw/zinc/12/20/06/635122006.db2.gz XRTLHRDBOXNBSN-UHFFFAOYSA-N 1 2 276.296 2.108 20 5 CEBDLO CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)Cn1nccc1[N+](=O)[O-] ZINC000165044551 639414051 /nfs/dbraw/zinc/41/40/51/639414051.db2.gz PDWQFGBDFKLSCC-VXGBXAGGSA-N 1 2 296.371 2.274 20 5 CEBDLO CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)Cn1nccc1[N+](=O)[O-] ZINC000165044551 639414056 /nfs/dbraw/zinc/41/40/56/639414056.db2.gz PDWQFGBDFKLSCC-VXGBXAGGSA-N 1 2 296.371 2.274 20 5 CEBDLO C[C@H](CC(=O)OCc1cccc([N+](=O)[O-])c1)n1cc[nH+]c1 ZINC000844358538 640691390 /nfs/dbraw/zinc/69/13/90/640691390.db2.gz JHUNHQXEGNVAII-LLVKDONJSA-N 1 2 289.291 2.486 20 5 CEBDLO C[C@@H]1CCOCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000851905352 643218044 /nfs/dbraw/zinc/21/80/44/643218044.db2.gz BXILQYHCSNPJQI-SNVBAGLBSA-N 1 2 268.288 2.345 20 5 CEBDLO C[C@@H]1CCOCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000851905352 643218046 /nfs/dbraw/zinc/21/80/46/643218046.db2.gz BXILQYHCSNPJQI-SNVBAGLBSA-N 1 2 268.288 2.345 20 5 CEBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1cccc(F)c1[N+](=O)[O-] ZINC000853798365 643903861 /nfs/dbraw/zinc/90/38/61/643903861.db2.gz DNWJBFKHSOHQIQ-MNOVXSKESA-N 1 2 297.330 2.255 20 5 CEBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1cccc(F)c1[N+](=O)[O-] ZINC000853798365 643903864 /nfs/dbraw/zinc/90/38/64/643903864.db2.gz DNWJBFKHSOHQIQ-MNOVXSKESA-N 1 2 297.330 2.255 20 5 CEBDLO CCn1ncc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000839119247 644162294 /nfs/dbraw/zinc/16/22/94/644162294.db2.gz LKDBWHJTWZDXAI-JTQLQIEISA-N 1 2 275.312 2.057 20 5 CEBDLO COC(=O)/C(C)=C/C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000757167702 644738688 /nfs/dbraw/zinc/73/86/88/644738688.db2.gz JRVZDAWSSUNUBX-IZZDOVSWSA-N 1 2 290.319 2.072 20 5 CEBDLO COC(=O)/C(C)=C/C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000757167702 644738697 /nfs/dbraw/zinc/73/86/97/644738697.db2.gz JRVZDAWSSUNUBX-IZZDOVSWSA-N 1 2 290.319 2.072 20 5 CEBDLO O=C(Cn1cc[nH+]c1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000788632340 648210034 /nfs/dbraw/zinc/21/00/34/648210034.db2.gz QMSQODMQERISIK-UHFFFAOYSA-N 1 2 280.671 2.083 20 5 CEBDLO CC(C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872078703 649266180 /nfs/dbraw/zinc/26/61/80/649266180.db2.gz DMFNKZVNLBYQNM-NXEZZACHSA-N 1 2 297.330 2.298 20 5 CEBDLO C[C@@H](OCC[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC001210225675 802658259 /nfs/dbraw/zinc/65/82/59/802658259.db2.gz YTLFZVWKBGASQP-GFCCVEGCSA-N 1 2 280.324 2.005 20 5 CEBDLO Cc1cc([N+](=O)[O-])c(O[C@H]2CC[NH2+]CC2(F)F)cc1F ZINC001218011965 803533390 /nfs/dbraw/zinc/53/33/90/803533390.db2.gz YDOJUHNCDMSHCK-NSHDSACASA-N 1 2 290.241 2.418 20 5 CEBDLO CCOC(=O)C[N@H+](C)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173222057 815625918 /nfs/dbraw/zinc/62/59/18/815625918.db2.gz OVULSCMVARJIBB-LLVKDONJSA-N 1 2 280.324 2.021 20 5 CEBDLO CCOC(=O)C[N@@H+](C)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173222057 815625919 /nfs/dbraw/zinc/62/59/19/815625919.db2.gz OVULSCMVARJIBB-LLVKDONJSA-N 1 2 280.324 2.021 20 5 CEBDLO CCn1cc[nH+]c1CNc1ccc([N+](=O)[O-])c(N)c1F ZINC000295072509 199330593 /nfs/dbraw/zinc/33/05/93/199330593.db2.gz WQQWVCIGPSNMDF-UHFFFAOYSA-N 1 2 279.275 2.145 20 5 CEBDLO CN(Cc1ccc(N)[nH+]c1)c1sccc1[N+](=O)[O-] ZINC000127124474 187284390 /nfs/dbraw/zinc/28/43/90/187284390.db2.gz QDZUSVUNCWJUMO-UHFFFAOYSA-N 1 2 264.310 2.270 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000140764057 344399094 /nfs/dbraw/zinc/39/90/94/344399094.db2.gz ZBMPUHSQLYZSNP-SECBINFHSA-N 1 2 274.280 2.117 20 5 CEBDLO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000050064957 362396222 /nfs/dbraw/zinc/39/62/22/362396222.db2.gz PDVUCSZHZSKMNQ-CQSZACIVSA-N 1 2 292.335 2.431 20 5 CEBDLO CCOC(=O)[C@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000050064957 362396230 /nfs/dbraw/zinc/39/62/30/362396230.db2.gz PDVUCSZHZSKMNQ-CQSZACIVSA-N 1 2 292.335 2.431 20 5 CEBDLO CC[C@@H]1C[NH+](Cc2onc(C)c2[N+](=O)[O-])C[C@@H](CC)O1 ZINC000595549909 345810365 /nfs/dbraw/zinc/81/03/65/345810365.db2.gz FTZOWQMTOQDRJO-GHMZBOCLSA-N 1 2 283.328 2.281 20 5 CEBDLO Cc1noc(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)c1[N+](=O)[O-] ZINC000595444576 345783723 /nfs/dbraw/zinc/78/37/23/345783723.db2.gz BLTBZAQPQZCVJU-GFCCVEGCSA-N 1 2 295.339 2.282 20 5 CEBDLO Cc1noc(C[N@H+]2CCC[C@@H](OCC3CC3)C2)c1[N+](=O)[O-] ZINC000595444576 345783726 /nfs/dbraw/zinc/78/37/26/345783726.db2.gz BLTBZAQPQZCVJU-GFCCVEGCSA-N 1 2 295.339 2.282 20 5 CEBDLO C[C@@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H]1CCO ZINC000595695385 345851553 /nfs/dbraw/zinc/85/15/53/345851553.db2.gz HFCHMWJTTLRRMD-BXUZGUMPSA-N 1 2 294.351 2.283 20 5 CEBDLO C[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H]1CCO ZINC000595695385 345851555 /nfs/dbraw/zinc/85/15/55/345851555.db2.gz HFCHMWJTTLRRMD-BXUZGUMPSA-N 1 2 294.351 2.283 20 5 CEBDLO Nc1[nH+]cccc1CNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000596252549 345980964 /nfs/dbraw/zinc/98/09/64/345980964.db2.gz HRJCALNZTJFBHC-UHFFFAOYSA-N 1 2 299.334 2.458 20 5 CEBDLO CCn1cc[nH+]c1[C@@H](C)Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596258139 345982871 /nfs/dbraw/zinc/98/28/71/345982871.db2.gz VBWAVKVMSXFMIS-MRVPVSSYSA-N 1 2 277.284 2.085 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000598460613 346360507 /nfs/dbraw/zinc/36/05/07/346360507.db2.gz SWGXUUMJPWYWMV-JTQLQIEISA-N 1 2 288.307 2.128 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000598460111 346360549 /nfs/dbraw/zinc/36/05/49/346360549.db2.gz PNMZSLAOELOHKH-SNVBAGLBSA-N 1 2 288.307 2.128 20 5 CEBDLO CCCNC(=O)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599013966 346446388 /nfs/dbraw/zinc/44/63/88/346446388.db2.gz CRDSGYJXBMMUPI-UHFFFAOYSA-N 1 2 288.307 2.081 20 5 CEBDLO C[C@@H](O)CCN(C)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599047761 346451864 /nfs/dbraw/zinc/45/18/64/346451864.db2.gz AQDAQZXVRAIVEP-SNVBAGLBSA-N 1 2 275.308 2.350 20 5 CEBDLO CC[C@@H](CO)Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599073734 346456655 /nfs/dbraw/zinc/45/66/55/346456655.db2.gz QDSPOVUACAISJD-JTQLQIEISA-N 1 2 261.281 2.326 20 5 CEBDLO CCOC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)CCO1 ZINC000600201707 346621325 /nfs/dbraw/zinc/62/13/25/346621325.db2.gz VAWWNBXWIRAGFD-OAHLLOKOSA-N 1 2 294.351 2.141 20 5 CEBDLO CCOC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)CCO1 ZINC000600201707 346621328 /nfs/dbraw/zinc/62/13/28/346621328.db2.gz VAWWNBXWIRAGFD-OAHLLOKOSA-N 1 2 294.351 2.141 20 5 CEBDLO O=[N+]([O-])c1cc(F)cnc1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000601115044 346757102 /nfs/dbraw/zinc/75/71/02/346757102.db2.gz YFXAJWZUKMFVLW-NSHDSACASA-N 1 2 291.286 2.167 20 5 CEBDLO C[C@](CO)([NH2+]Cc1cscn1)c1cccc([N+](=O)[O-])c1 ZINC000601148635 346769774 /nfs/dbraw/zinc/76/97/74/346769774.db2.gz FZQFHGXRGXYQBZ-CYBMUJFWSA-N 1 2 293.348 2.049 20 5 CEBDLO COCCC1C[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602708581 347163244 /nfs/dbraw/zinc/16/32/44/347163244.db2.gz QFGUWJIHFIYSGJ-UHFFFAOYSA-N 1 2 291.307 2.204 20 5 CEBDLO CCc1nc([C@@H](C)[NH2+]Cc2cn(C)nc2[N+](=O)[O-])cs1 ZINC000602808129 347208401 /nfs/dbraw/zinc/20/84/01/347208401.db2.gz CJDMQQDFHXDMFX-MRVPVSSYSA-N 1 2 295.368 2.198 20 5 CEBDLO Cc1noc(C[NH+]2CCC(C)(F)CC2)c1[N+](=O)[O-] ZINC000602992756 347269124 /nfs/dbraw/zinc/26/91/24/347269124.db2.gz FLPWFTDRCCNUQT-UHFFFAOYSA-N 1 2 257.265 2.215 20 5 CEBDLO CCc1[nH+]c(C)ccc1OCc1cn(C)nc1[N+](=O)[O-] ZINC000603422429 347366582 /nfs/dbraw/zinc/36/65/82/347366582.db2.gz JSDBOUQVOFJSJX-UHFFFAOYSA-N 1 2 276.296 2.173 20 5 CEBDLO C[C@H]1CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000604438377 347415786 /nfs/dbraw/zinc/41/57/86/347415786.db2.gz GZSOPLXXPJIETE-JTQLQIEISA-N 1 2 286.291 2.015 20 5 CEBDLO CNc1ccc(Nc2sccc2[N+](=O)[O-])c[nH+]1 ZINC000611411716 347775529 /nfs/dbraw/zinc/77/55/29/347775529.db2.gz VFNXDRSQLXQMOQ-UHFFFAOYSA-N 1 2 250.283 2.259 20 5 CEBDLO Cc1c[nH+]ccc1CCNc1cccnc1[N+](=O)[O-] ZINC000611104172 347739616 /nfs/dbraw/zinc/73/96/16/347739616.db2.gz DYJXYFVSQAXFEG-UHFFFAOYSA-N 1 2 258.281 2.348 20 5 CEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC=CCC1 ZINC000611517523 347789298 /nfs/dbraw/zinc/78/92/98/347789298.db2.gz LEPJQQHWNLYLLJ-NSHDSACASA-N 1 2 275.308 2.184 20 5 CEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC=CCC1 ZINC000611517523 347789300 /nfs/dbraw/zinc/78/93/00/347789300.db2.gz LEPJQQHWNLYLLJ-NSHDSACASA-N 1 2 275.308 2.184 20 5 CEBDLO COc1cc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000351978572 219272147 /nfs/dbraw/zinc/27/21/47/219272147.db2.gz WDIRBDYUVCDLIC-WDEREUQCSA-N 1 2 280.324 2.213 20 5 CEBDLO COc1cc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000351978572 219272149 /nfs/dbraw/zinc/27/21/49/219272149.db2.gz WDIRBDYUVCDLIC-WDEREUQCSA-N 1 2 280.324 2.213 20 5 CEBDLO CC(C)NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130667775 365978259 /nfs/dbraw/zinc/97/82/59/365978259.db2.gz GVLGJMDKKCUICR-UHFFFAOYSA-N 1 2 291.351 2.084 20 5 CEBDLO CC(C)NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130667775 365978261 /nfs/dbraw/zinc/97/82/61/365978261.db2.gz GVLGJMDKKCUICR-UHFFFAOYSA-N 1 2 291.351 2.084 20 5 CEBDLO Cc1nonc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000271706066 191283933 /nfs/dbraw/zinc/28/39/33/191283933.db2.gz UXDSTHUQNNAQAT-QMMMGPOBSA-N 1 2 262.269 2.137 20 5 CEBDLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000073843097 363257313 /nfs/dbraw/zinc/25/73/13/363257313.db2.gz RSNLUKIHUHNXDW-UHFFFAOYSA-N 1 2 297.274 2.361 20 5 CEBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC2(CC2)C1 ZINC000452279376 283240496 /nfs/dbraw/zinc/24/04/96/283240496.db2.gz ZVNBFKHJCJXMLT-UHFFFAOYSA-N 1 2 298.302 2.017 20 5 CEBDLO CN(Cc1ccc(N)[nH+]c1)c1ccc([N+](=O)[O-])cc1F ZINC000135985046 366487332 /nfs/dbraw/zinc/48/73/32/366487332.db2.gz YRAQDCIGOHEZDP-UHFFFAOYSA-N 1 2 276.271 2.348 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC2(C1)CCOCC2 ZINC000339009522 366612081 /nfs/dbraw/zinc/61/20/81/366612081.db2.gz KWQAVWAWVFYNNJ-UHFFFAOYSA-N 1 2 292.335 2.303 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC2(C1)CCOCC2 ZINC000339009522 366612083 /nfs/dbraw/zinc/61/20/83/366612083.db2.gz KWQAVWAWVFYNNJ-UHFFFAOYSA-N 1 2 292.335 2.303 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(NC[C@H](C)[NH+]2CCOCC2)c1 ZINC000301564501 201070849 /nfs/dbraw/zinc/07/08/49/201070849.db2.gz LRNZJQIPVHSMQZ-LBPRGKRZSA-N 1 2 279.340 2.036 20 5 CEBDLO CCOC(=O)C(C)(C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000112655602 364824572 /nfs/dbraw/zinc/82/45/72/364824572.db2.gz PJQXYOXTMJRXOA-UHFFFAOYSA-N 1 2 280.324 2.069 20 5 CEBDLO C[C@@H](Nc1ccsc1[N+](=O)[O-])[C@@H](C)[NH+]1CCOCC1 ZINC000609192800 367222779 /nfs/dbraw/zinc/22/27/79/367222779.db2.gz LJDJHCJIZAKAAQ-NXEZZACHSA-N 1 2 285.369 2.177 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1NCC[N@@H+]1CCOCC1(C)C ZINC000170869438 367436807 /nfs/dbraw/zinc/43/68/07/367436807.db2.gz BEGSAXGDGBVLOS-UHFFFAOYSA-N 1 2 293.367 2.426 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1NCC[N@H+]1CCOCC1(C)C ZINC000170869438 367436812 /nfs/dbraw/zinc/43/68/12/367436812.db2.gz BEGSAXGDGBVLOS-UHFFFAOYSA-N 1 2 293.367 2.426 20 5 CEBDLO COC[C@@H]1C[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000172884096 367835028 /nfs/dbraw/zinc/83/50/28/367835028.db2.gz WOLAZEPYNQPPRL-RISCZKNCSA-N 1 2 280.324 2.003 20 5 CEBDLO COC[C@@H]1C[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000172884096 367835031 /nfs/dbraw/zinc/83/50/31/367835031.db2.gz WOLAZEPYNQPPRL-RISCZKNCSA-N 1 2 280.324 2.003 20 5 CEBDLO Cc1nc(NCCc2ccc(Cl)cc2[N+](=O)[O-])cc[nH+]1 ZINC000349903736 369444598 /nfs/dbraw/zinc/44/45/98/369444598.db2.gz ONVKVORALMTPKL-UHFFFAOYSA-N 1 2 292.726 2.423 20 5 CEBDLO O=C(Nc1cc[nH+]cc1O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000358334090 371018818 /nfs/dbraw/zinc/01/88/18/371018818.db2.gz GVXYVLSZEQXXOR-UHFFFAOYSA-N 1 2 299.242 2.116 20 5 CEBDLO C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000247980784 371151383 /nfs/dbraw/zinc/15/13/83/371151383.db2.gz WWOGTUIPPALIQD-WDEREUQCSA-N 1 2 250.298 2.204 20 5 CEBDLO C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000247980784 371151391 /nfs/dbraw/zinc/15/13/91/371151391.db2.gz WWOGTUIPPALIQD-WDEREUQCSA-N 1 2 250.298 2.204 20 5 CEBDLO Cc1ccc(Cn2cc(Cl)cc([N+](=O)[O-])c2=O)c(C)[nH+]1 ZINC000358792254 371223092 /nfs/dbraw/zinc/22/30/92/371223092.db2.gz UOUNARAZLDNKFM-UHFFFAOYSA-N 1 2 293.710 2.470 20 5 CEBDLO Cc1nc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc[nH+]1 ZINC000266145885 372037028 /nfs/dbraw/zinc/03/70/28/372037028.db2.gz IUSKSEFMSZKYQX-UHFFFAOYSA-N 1 2 299.334 2.020 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000377217526 374816426 /nfs/dbraw/zinc/81/64/26/374816426.db2.gz ZORXPLDLZFVAGV-OAHLLOKOSA-N 1 2 292.335 2.214 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000377217526 374816430 /nfs/dbraw/zinc/81/64/30/374816430.db2.gz ZORXPLDLZFVAGV-OAHLLOKOSA-N 1 2 292.335 2.214 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000282238240 375435459 /nfs/dbraw/zinc/43/54/59/375435459.db2.gz PTRLWNAOCLWSPL-NWDGAFQWSA-N 1 2 291.351 2.127 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000282238240 375435465 /nfs/dbraw/zinc/43/54/65/375435465.db2.gz PTRLWNAOCLWSPL-NWDGAFQWSA-N 1 2 291.351 2.127 20 5 CEBDLO COc1ccc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000282641116 375537315 /nfs/dbraw/zinc/53/73/15/375537315.db2.gz BQOMBMCRSPZIKX-JTQLQIEISA-N 1 2 288.307 2.244 20 5 CEBDLO CC(C)(C)n1ncnc1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000282656562 375541204 /nfs/dbraw/zinc/54/12/04/375541204.db2.gz LNTFTWKDZBSRLD-UHFFFAOYSA-N 1 2 295.368 2.293 20 5 CEBDLO COc1ccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])nn1 ZINC000283424657 375703810 /nfs/dbraw/zinc/70/38/10/375703810.db2.gz FZPRTKOTEZLBDP-UHFFFAOYSA-N 1 2 288.307 2.025 20 5 CEBDLO COc1ccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])nn1 ZINC000283424657 375703817 /nfs/dbraw/zinc/70/38/17/375703817.db2.gz FZPRTKOTEZLBDP-UHFFFAOYSA-N 1 2 288.307 2.025 20 5 CEBDLO COc1ccc(C[NH2+][C@H](C)c2ncc[nH]2)cc1[N+](=O)[O-] ZINC000286310283 375908342 /nfs/dbraw/zinc/90/83/42/375908342.db2.gz XCTBTRXSBFRQQP-SECBINFHSA-N 1 2 276.296 2.177 20 5 CEBDLO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CCC[C@H]1O ZINC000286589750 376004720 /nfs/dbraw/zinc/00/47/20/376004720.db2.gz QOVZQRNBSHCKSJ-CHWSQXEVSA-N 1 2 286.278 2.218 20 5 CEBDLO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CCC[C@H]1O ZINC000286589750 376004725 /nfs/dbraw/zinc/00/47/25/376004725.db2.gz QOVZQRNBSHCKSJ-CHWSQXEVSA-N 1 2 286.278 2.218 20 5 CEBDLO CC[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000330430090 377128000 /nfs/dbraw/zinc/12/80/00/377128000.db2.gz MHLDDGSTMPQVPX-ZWNOBZJWSA-N 1 2 280.324 2.300 20 5 CEBDLO CC[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000330430090 377128010 /nfs/dbraw/zinc/12/80/10/377128010.db2.gz MHLDDGSTMPQVPX-ZWNOBZJWSA-N 1 2 280.324 2.300 20 5 CEBDLO C[C@@]1(CCCO)CCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330460446 377144839 /nfs/dbraw/zinc/14/48/39/377144839.db2.gz VPKVEFVSCSRKQL-HNNXBMFYSA-N 1 2 294.351 2.427 20 5 CEBDLO C[C@@]1(CCCO)CCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330460446 377144847 /nfs/dbraw/zinc/14/48/47/377144847.db2.gz VPKVEFVSCSRKQL-HNNXBMFYSA-N 1 2 294.351 2.427 20 5 CEBDLO COCC[C@H]1COCC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000291272492 377150982 /nfs/dbraw/zinc/15/09/82/377150982.db2.gz NYJWQGMCDQMSIU-AWEZNQCLSA-N 1 2 294.351 2.141 20 5 CEBDLO COCC[C@H]1COCC[N@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000291272492 377150992 /nfs/dbraw/zinc/15/09/92/377150992.db2.gz NYJWQGMCDQMSIU-AWEZNQCLSA-N 1 2 294.351 2.141 20 5 CEBDLO CC(C)Oc1nc(N(C)Cc2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000563420634 377219182 /nfs/dbraw/zinc/21/91/82/377219182.db2.gz JVGNSFPLFINOOD-UHFFFAOYSA-N 1 2 291.311 2.137 20 5 CEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000331052403 377259016 /nfs/dbraw/zinc/25/90/16/377259016.db2.gz IXVABHPQBKJOGE-MRVPVSSYSA-N 1 2 292.261 2.103 20 5 CEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000331052403 377259019 /nfs/dbraw/zinc/25/90/19/377259019.db2.gz IXVABHPQBKJOGE-MRVPVSSYSA-N 1 2 292.261 2.103 20 5 CEBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C)CC1 ZINC000347340288 218194825 /nfs/dbraw/zinc/19/48/25/218194825.db2.gz NVDFGHDUFHHNND-JLHYYAGUSA-N 1 2 275.352 2.246 20 5 CEBDLO Nc1ccc(CNc2ncc([N+](=O)[O-])cc2Cl)c[nH+]1 ZINC000302770452 379447018 /nfs/dbraw/zinc/44/70/18/379447018.db2.gz MUXWIRBOCDHEQM-UHFFFAOYSA-N 1 2 279.687 2.233 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1[C@H](C)C[C@H]1C ZINC000548753731 380556230 /nfs/dbraw/zinc/55/62/30/380556230.db2.gz BGGOJTKIERJGPD-NXEZZACHSA-N 1 2 293.323 2.025 20 5 CEBDLO C[N@H+]1CCO[C@@H](CSc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000580711412 322337882 /nfs/dbraw/zinc/33/78/82/322337882.db2.gz CWPHKHAXEAKYHW-SNVBAGLBSA-N 1 2 286.328 2.157 20 5 CEBDLO O=[N+]([O-])c1cc2ccccc2nc1N1CCn2c[nH+]cc2C1 ZINC000377981012 285101905 /nfs/dbraw/zinc/10/19/05/285101905.db2.gz CVLWQKKQVQAZEG-UHFFFAOYSA-N 1 2 295.302 2.360 20 5 CEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N[C@@H]3CC[S@](=O)C3)c2c1 ZINC000413158851 285147795 /nfs/dbraw/zinc/14/77/95/285147795.db2.gz AKCTTYNOPKUERO-SBKAZYGRSA-N 1 2 291.332 2.076 20 5 CEBDLO CN(CC1(O)CCC1)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413221911 394507294 /nfs/dbraw/zinc/50/72/94/394507294.db2.gz AQGGKJGRHPTBCE-UHFFFAOYSA-N 1 2 287.319 2.494 20 5 CEBDLO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](C2CC2)CC1 ZINC000061569888 394568192 /nfs/dbraw/zinc/56/81/92/394568192.db2.gz XWEPZBKVLQNRQK-UHFFFAOYSA-N 1 2 289.335 2.082 20 5 CEBDLO Cc1[nH+]c[nH]c1CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421780560 394592197 /nfs/dbraw/zinc/59/21/97/394592197.db2.gz UDGHJWVLDOIEEZ-UHFFFAOYSA-N 1 2 288.307 2.173 20 5 CEBDLO C[C@H](Cn1cc[nH+]c1)Nc1c(F)cccc1[N+](=O)[O-] ZINC000285994137 394997456 /nfs/dbraw/zinc/99/74/56/394997456.db2.gz CVQKFOAAFFIYSM-SECBINFHSA-N 1 2 264.260 2.431 20 5 CEBDLO Cc1ccc(N2CCn3c[nH+]cc3C2)c([N+](=O)[O-])c1 ZINC000290711679 292139647 /nfs/dbraw/zinc/13/96/47/292139647.db2.gz OJUVFOLJJUFIGI-UHFFFAOYSA-N 1 2 258.281 2.120 20 5 CEBDLO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000361072277 155451454 /nfs/dbraw/zinc/45/14/54/155451454.db2.gz CPUKLWBJFSXBKF-SNVBAGLBSA-N 1 2 290.327 2.184 20 5 CEBDLO Cc1[nH+]c[nH]c1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000359518792 155037138 /nfs/dbraw/zinc/03/71/38/155037138.db2.gz SGKGKOPMZGOAPB-UHFFFAOYSA-N 1 2 294.698 2.210 20 5 CEBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCOCC1 ZINC000363585811 156034908 /nfs/dbraw/zinc/03/49/08/156034908.db2.gz DWQPQPANNNOEEN-UHFFFAOYSA-N 1 2 280.324 2.216 20 5 CEBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCOCC1 ZINC000363585811 156034911 /nfs/dbraw/zinc/03/49/11/156034911.db2.gz DWQPQPANNNOEEN-UHFFFAOYSA-N 1 2 280.324 2.216 20 5 CEBDLO CCOC(=O)[C@H](CC)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285240754 196229981 /nfs/dbraw/zinc/22/99/81/196229981.db2.gz GMVLZDQIZOSJNY-ZDUSSCGKSA-N 1 2 294.351 2.411 20 5 CEBDLO CCOC(=O)[C@H](CC)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285240754 196229982 /nfs/dbraw/zinc/22/99/82/196229982.db2.gz GMVLZDQIZOSJNY-ZDUSSCGKSA-N 1 2 294.351 2.411 20 5 CEBDLO CC(C)COC(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285418983 196278413 /nfs/dbraw/zinc/27/84/13/196278413.db2.gz VNFXWHXCCTVOOM-UHFFFAOYSA-N 1 2 294.351 2.268 20 5 CEBDLO CC(C)COC(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285418983 196278415 /nfs/dbraw/zinc/27/84/15/196278415.db2.gz VNFXWHXCCTVOOM-UHFFFAOYSA-N 1 2 294.351 2.268 20 5 CEBDLO Cn1ccnc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000071273589 176105828 /nfs/dbraw/zinc/10/58/28/176105828.db2.gz NFRYRVAJPIFIHV-UHFFFAOYSA-N 1 2 280.715 2.272 20 5 CEBDLO Cn1cc[nH+]c1CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000071273589 176105829 /nfs/dbraw/zinc/10/58/29/176105829.db2.gz NFRYRVAJPIFIHV-UHFFFAOYSA-N 1 2 280.715 2.272 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000366579321 277389672 /nfs/dbraw/zinc/38/96/72/277389672.db2.gz KEAKISSOZOVFDV-UONOGXRCSA-N 1 2 292.335 2.357 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000366579321 277389674 /nfs/dbraw/zinc/38/96/74/277389674.db2.gz KEAKISSOZOVFDV-UONOGXRCSA-N 1 2 292.335 2.357 20 5 CEBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)CO1 ZINC000247939345 288214535 /nfs/dbraw/zinc/21/45/35/288214535.db2.gz FWEFSZRNSQVMRV-WDEREUQCSA-N 1 2 250.298 2.204 20 5 CEBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)CO1 ZINC000247939345 288214538 /nfs/dbraw/zinc/21/45/38/288214538.db2.gz FWEFSZRNSQVMRV-WDEREUQCSA-N 1 2 250.298 2.204 20 5 CEBDLO C[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccn(C)n1 ZINC000459796324 290243794 /nfs/dbraw/zinc/24/37/94/290243794.db2.gz RFUYPTVLWXROCQ-VIFPVBQESA-N 1 2 278.287 2.318 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)c1ncnn1C ZINC000530440100 298071565 /nfs/dbraw/zinc/07/15/65/298071565.db2.gz FLWCNCCDVUTULB-QWRGUYRKSA-N 1 2 289.339 2.444 20 5 CEBDLO C[C@@H](Cc1nc(-c2ccc([N+](=O)[O-])o2)no1)n1cc[nH+]c1 ZINC000351443430 313016815 /nfs/dbraw/zinc/01/68/15/313016815.db2.gz FHXHXKFFCZTDOH-QMMMGPOBSA-N 1 2 289.251 2.238 20 5 CEBDLO O=[N+]([O-])c1c2cccnc2ccc1N1CC(n2cc[nH+]c2)C1 ZINC000532089510 313339047 /nfs/dbraw/zinc/33/90/47/313339047.db2.gz GILVZIVJCBHCGR-UHFFFAOYSA-N 1 2 295.302 2.401 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000575134534 314208230 /nfs/dbraw/zinc/20/82/30/314208230.db2.gz AUGYMACKWMJADS-UHFFFAOYSA-N 1 2 277.324 2.184 20 5 CEBDLO C[N@@H+]1CCO[C@@H](CSc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000580711412 322337879 /nfs/dbraw/zinc/33/78/79/322337879.db2.gz CWPHKHAXEAKYHW-SNVBAGLBSA-N 1 2 286.328 2.157 20 5 CEBDLO C[C@H]([NH2+][C@@H](C(N)=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000056196742 525519700 /nfs/dbraw/zinc/51/97/00/525519700.db2.gz CVECQGWNEQLTKW-XHDPSFHLSA-N 1 2 299.330 2.472 20 5 CEBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC2(C1)OCCO2 ZINC000255224693 623418354 /nfs/dbraw/zinc/41/83/54/623418354.db2.gz IYCLDZHYVLOWQD-HYXAFXHYSA-N 1 2 290.319 2.057 20 5 CEBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC2(C1)OCCO2 ZINC000255224693 623418357 /nfs/dbraw/zinc/41/83/57/623418357.db2.gz IYCLDZHYVLOWQD-HYXAFXHYSA-N 1 2 290.319 2.057 20 5 CEBDLO CNc1cc(N(C)CCc2ccccc2[N+](=O)[O-])nc[nH+]1 ZINC000893817809 629005788 /nfs/dbraw/zinc/00/57/88/629005788.db2.gz UHKXEGDULHDNMO-UHFFFAOYSA-N 1 2 287.323 2.105 20 5 CEBDLO CNc1cc(N(C)CCc2ccccc2[N+](=O)[O-])[nH+]cn1 ZINC000893817809 629005791 /nfs/dbraw/zinc/00/57/91/629005791.db2.gz UHKXEGDULHDNMO-UHFFFAOYSA-N 1 2 287.323 2.105 20 5 CEBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CC(COC)C1 ZINC000895972206 630423942 /nfs/dbraw/zinc/42/39/42/630423942.db2.gz SVEKFCZNQXITPJ-UHFFFAOYSA-N 1 2 280.324 2.072 20 5 CEBDLO CC(=O)c1cc([N+](=O)[O-])ccc1NCCn1cc[nH+]c1 ZINC000804327991 631664262 /nfs/dbraw/zinc/66/42/62/631664262.db2.gz ZWOPXJRTDLRNNJ-UHFFFAOYSA-N 1 2 274.280 2.106 20 5 CEBDLO CC(C)(C)OC(=O)c1ccccc1C[NH2+]CC[N+](=O)[O-] ZINC000905405250 636259730 /nfs/dbraw/zinc/25/97/30/636259730.db2.gz RKIOXFOXSNLHHP-UHFFFAOYSA-N 1 2 280.324 2.008 20 5 CEBDLO [NH3+]CCCCCCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000831803277 637439913 /nfs/dbraw/zinc/43/99/13/637439913.db2.gz LWXQYPQDUSMIDY-UHFFFAOYSA-N 1 2 281.312 2.148 20 5 CEBDLO O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1CC(CCO)C1 ZINC000839141054 644171796 /nfs/dbraw/zinc/17/17/96/644171796.db2.gz SXDNNFUJRWZGTB-UHFFFAOYSA-N 1 2 270.716 2.062 20 5 CEBDLO CCn1ncc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000858444274 645161962 /nfs/dbraw/zinc/16/19/62/645161962.db2.gz TWCCCPPKNJMATA-NSHDSACASA-N 1 2 289.339 2.365 20 5 CEBDLO Cc1nn(C[N@H+](C)CCOC(C)(C)C)c(C)c1[N+](=O)[O-] ZINC000767773421 646039942 /nfs/dbraw/zinc/03/99/42/646039942.db2.gz WIAMSWJPGNTGNI-UHFFFAOYSA-N 1 2 284.360 2.113 20 5 CEBDLO Cc1nn(C[N@@H+](C)CCOC(C)(C)C)c(C)c1[N+](=O)[O-] ZINC000767773421 646039945 /nfs/dbraw/zinc/03/99/45/646039945.db2.gz WIAMSWJPGNTGNI-UHFFFAOYSA-N 1 2 284.360 2.113 20 5 CEBDLO O=C(OCCn1cc[nH+]c1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000771966847 646578641 /nfs/dbraw/zinc/57/86/41/646578641.db2.gz CILQLTWZRGLQOA-UHFFFAOYSA-N 1 2 295.682 2.302 20 5 CEBDLO COc1cc(F)c([N+](=O)[O-])c(N[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000774516564 646856933 /nfs/dbraw/zinc/85/69/33/646856933.db2.gz UAWPKEWGDSKEKY-VIFPVBQESA-N 1 2 294.286 2.440 20 5 CEBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782614841 647644625 /nfs/dbraw/zinc/64/46/25/647644625.db2.gz GMMICETULWGTRG-MFKMUULPSA-N 1 2 282.727 2.062 20 5 CEBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782614841 647644626 /nfs/dbraw/zinc/64/46/26/647644626.db2.gz GMMICETULWGTRG-MFKMUULPSA-N 1 2 282.727 2.062 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)OCCc1c[nH+]cn1C ZINC000793252855 648731154 /nfs/dbraw/zinc/73/11/54/648731154.db2.gz ULSBPRCWQHEOOB-UHFFFAOYSA-N 1 2 289.291 2.036 20 5 CEBDLO CCN(C)C(=O)[C@H](C)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872066813 649260478 /nfs/dbraw/zinc/26/04/78/649260478.db2.gz QUYCQSFCFZMLCH-ZJUUUORDSA-N 1 2 297.330 2.251 20 5 CEBDLO O=C(C[N@@H+]1CCC[C@H](CF)C1)Nc1ccccc1[N+](=O)[O-] ZINC000880233210 651404950 /nfs/dbraw/zinc/40/49/50/651404950.db2.gz JGRUZRSEBHFIFO-LLVKDONJSA-N 1 2 295.314 2.215 20 5 CEBDLO O=C(C[N@H+]1CCC[C@H](CF)C1)Nc1ccccc1[N+](=O)[O-] ZINC000880233210 651404951 /nfs/dbraw/zinc/40/49/51/651404951.db2.gz JGRUZRSEBHFIFO-LLVKDONJSA-N 1 2 295.314 2.215 20 5 CEBDLO O=[N+]([O-])c1cccc(N2CCC(n3cc[nH+]c3)CC2)n1 ZINC001167124074 802511893 /nfs/dbraw/zinc/51/18/93/802511893.db2.gz SVKAIIFGSJXPKH-UHFFFAOYSA-N 1 2 273.296 2.028 20 5 CEBDLO C[NH+](C)Cc1csc(CNc2cccnc2[N+](=O)[O-])n1 ZINC000722390339 804416711 /nfs/dbraw/zinc/41/67/11/804416711.db2.gz LNKVZRVARDXETA-UHFFFAOYSA-N 1 2 293.352 2.120 20 5 CEBDLO CC[NH+]1CCC(Oc2cccc(O)c2[N+](=O)[O-])CC1 ZINC001225624517 805039882 /nfs/dbraw/zinc/03/98/82/805039882.db2.gz YPYNVBWFYWQNLX-UHFFFAOYSA-N 1 2 266.297 2.164 20 5 CEBDLO Cc1[nH+]c[nH]c1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC001135505156 813447961 /nfs/dbraw/zinc/44/79/61/813447961.db2.gz YPQFGQNPQTVUBR-UHFFFAOYSA-N 1 2 274.280 2.116 20 5 CEBDLO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(=O)CC1 ZINC001173229203 815630708 /nfs/dbraw/zinc/63/07/08/815630708.db2.gz RMGJOZUJWAZQNE-NSHDSACASA-N 1 2 262.309 2.191 20 5 CEBDLO O=[N+]([O-])c1ccc(NCCn2cc[nH+]c2)c(F)c1 ZINC000041065282 362016587 /nfs/dbraw/zinc/01/65/87/362016587.db2.gz BGGUWCAXWJSFGD-UHFFFAOYSA-N 1 2 250.233 2.043 20 5 CEBDLO Cn1cnc([N+](=O)[O-])c1Sc1[nH+]cc2ccccn21 ZINC000045513520 343485160 /nfs/dbraw/zinc/48/51/60/343485160.db2.gz ACONSOJGFJMVNG-UHFFFAOYSA-N 1 2 275.293 2.127 20 5 CEBDLO O=[N+]([O-])c1ccc(CNc2cccc(CO)[nH+]2)cc1 ZINC000351332514 219090661 /nfs/dbraw/zinc/09/06/61/219090661.db2.gz SQWATHYQTPHBAZ-UHFFFAOYSA-N 1 2 259.265 2.094 20 5 CEBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000092427304 344188552 /nfs/dbraw/zinc/18/85/52/344188552.db2.gz HFMPLDRPGJELHF-CYBMUJFWSA-N 1 2 280.324 2.301 20 5 CEBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000092427304 344188554 /nfs/dbraw/zinc/18/85/54/344188554.db2.gz HFMPLDRPGJELHF-CYBMUJFWSA-N 1 2 280.324 2.301 20 5 CEBDLO O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000220532534 344538661 /nfs/dbraw/zinc/53/86/61/344538661.db2.gz CTXAZABAAJPQKX-VIFPVBQESA-N 1 2 286.291 2.062 20 5 CEBDLO O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000220532534 344538664 /nfs/dbraw/zinc/53/86/64/344538664.db2.gz CTXAZABAAJPQKX-VIFPVBQESA-N 1 2 286.291 2.062 20 5 CEBDLO CC(=O)c1cc(N2CC[NH+](C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000228258550 344559272 /nfs/dbraw/zinc/55/92/72/344559272.db2.gz CFBOUJDEKUTDNM-UHFFFAOYSA-N 1 2 289.335 2.082 20 5 CEBDLO C[C@H](Cn1cc[nH+]c1)Nc1c(Cl)cncc1[N+](=O)[O-] ZINC000311501514 344734276 /nfs/dbraw/zinc/73/42/76/344734276.db2.gz YLBDPSUYQMTAOO-MRVPVSSYSA-N 1 2 281.703 2.340 20 5 CEBDLO O=[N+]([O-])c1cncc(Cl)c1NCCCn1cc[nH+]c1 ZINC000311536540 344734822 /nfs/dbraw/zinc/73/48/22/344734822.db2.gz HSYFWEXHOFTWAN-UHFFFAOYSA-N 1 2 281.703 2.342 20 5 CEBDLO CCc1noc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000586773510 345020040 /nfs/dbraw/zinc/02/00/40/345020040.db2.gz UTHNKWDHGXCNPA-UHFFFAOYSA-N 1 2 290.323 2.215 20 5 CEBDLO CCc1noc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000586773510 345020044 /nfs/dbraw/zinc/02/00/44/345020044.db2.gz UTHNKWDHGXCNPA-UHFFFAOYSA-N 1 2 290.323 2.215 20 5 CEBDLO CCn1cc[nH+]c1CNc1ccc([N+](=O)[O-])s1 ZINC000590712841 345166527 /nfs/dbraw/zinc/16/65/27/345166527.db2.gz UGFUYWYKWHFVAQ-UHFFFAOYSA-N 1 2 252.299 2.485 20 5 CEBDLO COc1cc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)c([N+](=O)[O-])cc1F ZINC000590972665 345208409 /nfs/dbraw/zinc/20/84/09/345208409.db2.gz UNKVIQCMERPLCQ-UWVGGRQHSA-N 1 2 298.339 2.432 20 5 CEBDLO COc1cc(C[N@H+]2C[C@@H]3C[C@H]2CS3)c([N+](=O)[O-])cc1F ZINC000590972665 345208412 /nfs/dbraw/zinc/20/84/12/345208412.db2.gz UNKVIQCMERPLCQ-UWVGGRQHSA-N 1 2 298.339 2.432 20 5 CEBDLO Cc1c[nH+]c(CCNc2ncc([N+](=O)[O-])cc2C)c(C)c1 ZINC000594594959 345654977 /nfs/dbraw/zinc/65/49/77/345654977.db2.gz DEUFKTQOVOVLOV-UHFFFAOYSA-N 1 2 286.335 2.387 20 5 CEBDLO CCCCC[N@H+](CC(N)=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595431882 345781389 /nfs/dbraw/zinc/78/13/89/345781389.db2.gz SLWCKEUDQZCIBX-UHFFFAOYSA-N 1 2 297.330 2.211 20 5 CEBDLO CCCCC[N@@H+](CC(N)=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595431882 345781393 /nfs/dbraw/zinc/78/13/93/345781393.db2.gz SLWCKEUDQZCIBX-UHFFFAOYSA-N 1 2 297.330 2.211 20 5 CEBDLO C[C@@]12COC[C@]1(C)C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C2 ZINC000595687554 345849036 /nfs/dbraw/zinc/84/90/36/345849036.db2.gz CPNMHSNDPCDALZ-GASCZTMLSA-N 1 2 292.335 2.159 20 5 CEBDLO C[C@@]12COC[C@]1(C)C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C2 ZINC000595687554 345849039 /nfs/dbraw/zinc/84/90/39/345849039.db2.gz CPNMHSNDPCDALZ-GASCZTMLSA-N 1 2 292.335 2.159 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)Cc1cn(C)nn1 ZINC000595757673 345868554 /nfs/dbraw/zinc/86/85/54/345868554.db2.gz GSJILYXIVIRKBP-LLVKDONJSA-N 1 2 289.339 2.225 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)Cc1cn(C)nn1 ZINC000595757673 345868555 /nfs/dbraw/zinc/86/85/55/345868555.db2.gz GSJILYXIVIRKBP-LLVKDONJSA-N 1 2 289.339 2.225 20 5 CEBDLO CC(C)[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000339207242 215015479 /nfs/dbraw/zinc/01/54/79/215015479.db2.gz JTVQKJFQKKVOHO-GFCCVEGCSA-N 1 2 280.324 2.300 20 5 CEBDLO CC(C)[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000339207242 215015480 /nfs/dbraw/zinc/01/54/80/215015480.db2.gz JTVQKJFQKKVOHO-GFCCVEGCSA-N 1 2 280.324 2.300 20 5 CEBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC(O)CC1 ZINC000599012552 346446187 /nfs/dbraw/zinc/44/61/87/346446187.db2.gz GAKFXVLAJHAXQZ-UHFFFAOYSA-N 1 2 273.292 2.104 20 5 CEBDLO O=C1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599019606 346447498 /nfs/dbraw/zinc/44/74/98/346447498.db2.gz SBTYQRVJYGXWJY-UHFFFAOYSA-N 1 2 271.276 2.312 20 5 CEBDLO CN(C[C@@H](O)C1CC1)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599059487 346453831 /nfs/dbraw/zinc/45/38/31/346453831.db2.gz AWJQNZMVSADXNR-CQSZACIVSA-N 1 2 287.319 2.350 20 5 CEBDLO CN(CC1(O)CCC1)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599064442 346454066 /nfs/dbraw/zinc/45/40/66/346454066.db2.gz CUIJLTMDNQEUAP-UHFFFAOYSA-N 1 2 287.319 2.494 20 5 CEBDLO COC[C@]1(C)C[N@H+](Cc2cccc([N+](=O)[O-])c2C)CCO1 ZINC000599693971 346569479 /nfs/dbraw/zinc/56/94/79/346569479.db2.gz QIHFYVSPQMEVQG-HNNXBMFYSA-N 1 2 294.351 2.141 20 5 CEBDLO COC[C@]1(C)C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)CCO1 ZINC000599693971 346569482 /nfs/dbraw/zinc/56/94/82/346569482.db2.gz QIHFYVSPQMEVQG-HNNXBMFYSA-N 1 2 294.351 2.141 20 5 CEBDLO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CC2(C1)CCCO2 ZINC000600189866 346619225 /nfs/dbraw/zinc/61/92/25/346619225.db2.gz MBBVHUSFWPONDU-ZZXKWVIFSA-N 1 2 274.320 2.473 20 5 CEBDLO O=[N+]([O-])c1cc(F)cnc1N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000601125304 346760890 /nfs/dbraw/zinc/76/08/90/346760890.db2.gz DZDZNZIMCKAEMQ-UHFFFAOYSA-N 1 2 291.286 2.236 20 5 CEBDLO O=[N+]([O-])c1cc(F)cnc1N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000601125304 346760895 /nfs/dbraw/zinc/76/08/95/346760895.db2.gz DZDZNZIMCKAEMQ-UHFFFAOYSA-N 1 2 291.286 2.236 20 5 CEBDLO Cc1cn2cc(NC(=O)c3ccc([N+](=O)[O-])o3)ccc2[nH+]1 ZINC000339276166 215058626 /nfs/dbraw/zinc/05/86/26/215058626.db2.gz QUEQQXZUYIZZFA-UHFFFAOYSA-N 1 2 286.247 2.396 20 5 CEBDLO CC1(C)C[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccco1 ZINC000602928030 347249795 /nfs/dbraw/zinc/24/97/95/347249795.db2.gz VWONZDUPGVQWIZ-CYBMUJFWSA-N 1 2 290.323 2.467 20 5 CEBDLO CC1(C)C[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccco1 ZINC000602928030 347249796 /nfs/dbraw/zinc/24/97/96/347249796.db2.gz VWONZDUPGVQWIZ-CYBMUJFWSA-N 1 2 290.323 2.467 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(N2CCn3cc[nH+]c3C2)c1 ZINC000610677494 347700678 /nfs/dbraw/zinc/70/06/78/347700678.db2.gz PPMDBVJGRLKKIO-UHFFFAOYSA-N 1 2 258.281 2.120 20 5 CEBDLO C[C@H]1COCCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000610990830 347727935 /nfs/dbraw/zinc/72/79/35/347727935.db2.gz PMJUVGUYIUYDBC-VIFPVBQESA-N 1 2 256.327 2.267 20 5 CEBDLO C[C@H]1COCCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000610990830 347727937 /nfs/dbraw/zinc/72/79/37/347727937.db2.gz PMJUVGUYIUYDBC-VIFPVBQESA-N 1 2 256.327 2.267 20 5 CEBDLO Cc1c(CN(C)Cc2[nH]cc[nH+]2)cccc1[N+](=O)[O-] ZINC000611191108 347750216 /nfs/dbraw/zinc/75/02/16/347750216.db2.gz LOUBNNDXBWOWAP-UHFFFAOYSA-N 1 2 260.297 2.258 20 5 CEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC=CCC1 ZINC000611517145 347789061 /nfs/dbraw/zinc/78/90/61/347789061.db2.gz BSAPSYQNHKJIHX-NSHDSACASA-N 1 2 275.308 2.184 20 5 CEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC=CCC1 ZINC000611517145 347789063 /nfs/dbraw/zinc/78/90/63/347789063.db2.gz BSAPSYQNHKJIHX-NSHDSACASA-N 1 2 275.308 2.184 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(CC(F)F)CC1 ZINC000273383366 192133828 /nfs/dbraw/zinc/13/38/28/192133828.db2.gz CJPYPHURBSYZGD-UHFFFAOYSA-N 1 2 299.321 2.286 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000104659692 186010680 /nfs/dbraw/zinc/01/06/80/186010680.db2.gz TXEDNUKKERKFOG-STQMWFEESA-N 1 2 293.367 2.424 20 5 CEBDLO COc1cc(NCCCn2cc[nH+]c2)c(F)cc1[N+](=O)[O-] ZINC000091424840 180152061 /nfs/dbraw/zinc/15/20/61/180152061.db2.gz FURFTLJUXBDGJU-UHFFFAOYSA-N 1 2 294.286 2.441 20 5 CEBDLO O=C(Nc1c[nH+]c2n1CCCC2)c1ccccc1[N+](=O)[O-] ZINC000452339608 283260311 /nfs/dbraw/zinc/26/03/11/283260311.db2.gz GBUSXSZZKHYZPI-UHFFFAOYSA-N 1 2 286.291 2.380 20 5 CEBDLO Cc1cn2cc(NC(=O)CCC(C)(C)[N+](=O)[O-])ccc2[nH+]1 ZINC000294360279 199011422 /nfs/dbraw/zinc/01/14/22/199011422.db2.gz ATNLSAPVOBPPAM-UHFFFAOYSA-N 1 2 290.323 2.417 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000294792265 199184997 /nfs/dbraw/zinc/18/49/97/199184997.db2.gz MAOUXYNTWMVOAK-UHFFFAOYSA-N 1 2 287.323 2.189 20 5 CEBDLO CC(C)(C)[C@@H](CCO)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339074760 366642025 /nfs/dbraw/zinc/64/20/25/366642025.db2.gz HMRRNTMVDKZXLH-CYBMUJFWSA-N 1 2 282.340 2.187 20 5 CEBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000090007878 364032865 /nfs/dbraw/zinc/03/28/65/364032865.db2.gz REOPYEMASSLNTM-AWEZNQCLSA-N 1 2 262.309 2.206 20 5 CEBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCOC[C@H]1C1CC1 ZINC000090007878 364032873 /nfs/dbraw/zinc/03/28/73/364032873.db2.gz REOPYEMASSLNTM-AWEZNQCLSA-N 1 2 262.309 2.206 20 5 CEBDLO Cc1c(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)cccc1[N+](=O)[O-] ZINC000582070884 366859904 /nfs/dbraw/zinc/85/99/04/366859904.db2.gz ANLXVPBNHUNYMU-SECBINFHSA-N 1 2 288.307 2.444 20 5 CEBDLO Cc1c(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cccc1[N+](=O)[O-] ZINC000582070884 366859906 /nfs/dbraw/zinc/85/99/06/366859906.db2.gz ANLXVPBNHUNYMU-SECBINFHSA-N 1 2 288.307 2.444 20 5 CEBDLO CC[C@@H]1COCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000115574357 365016647 /nfs/dbraw/zinc/01/66/47/365016647.db2.gz KIHILQLQLXCKKV-GFCCVEGCSA-N 1 2 250.298 2.206 20 5 CEBDLO CC[C@@H]1COCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000115574357 365016652 /nfs/dbraw/zinc/01/66/52/365016652.db2.gz KIHILQLQLXCKKV-GFCCVEGCSA-N 1 2 250.298 2.206 20 5 CEBDLO COCC1([N@H+](C)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000586768413 367188235 /nfs/dbraw/zinc/18/82/35/367188235.db2.gz OFDYHNOUPKYHKO-UHFFFAOYSA-N 1 2 286.278 2.484 20 5 CEBDLO COCC1([N@@H+](C)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000586768413 367188240 /nfs/dbraw/zinc/18/82/40/367188240.db2.gz OFDYHNOUPKYHKO-UHFFFAOYSA-N 1 2 286.278 2.484 20 5 CEBDLO C[C@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)CCCO1 ZINC000170765912 367409411 /nfs/dbraw/zinc/40/94/11/367409411.db2.gz NGGCOGNHFWSDLS-VIFPVBQESA-N 1 2 256.327 2.267 20 5 CEBDLO C[C@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)CCCO1 ZINC000170765912 367409418 /nfs/dbraw/zinc/40/94/18/367409418.db2.gz NGGCOGNHFWSDLS-VIFPVBQESA-N 1 2 256.327 2.267 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1CNc1cc[nH+]c(C)n1 ZINC000174694797 368056724 /nfs/dbraw/zinc/05/67/24/368056724.db2.gz GGIMYERAFPOBEU-UHFFFAOYSA-N 1 2 274.280 2.314 20 5 CEBDLO Cc1ncc([N+](=O)[O-])n1CCc1[nH+]c2ccccc2n1C ZINC000346611048 368734448 /nfs/dbraw/zinc/73/44/48/368734448.db2.gz RSUAFHOZQCLRCV-UHFFFAOYSA-N 1 2 285.307 2.229 20 5 CEBDLO COC(=O)[C@]1(C)CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000186362002 368962945 /nfs/dbraw/zinc/96/29/45/368962945.db2.gz TXPIRXKPECRTEP-HNNXBMFYSA-N 1 2 292.335 2.431 20 5 CEBDLO COC(=O)[C@]1(C)CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000186362002 368962951 /nfs/dbraw/zinc/96/29/51/368962951.db2.gz TXPIRXKPECRTEP-HNNXBMFYSA-N 1 2 292.335 2.431 20 5 CEBDLO C[C@H]1c2nncn2CC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000361656545 372008021 /nfs/dbraw/zinc/00/80/21/372008021.db2.gz SVLNEVVWMVOZPC-RNZFLTOJSA-N 1 2 299.334 2.276 20 5 CEBDLO C[C@H]1c2nncn2CC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000361656545 372008028 /nfs/dbraw/zinc/00/80/28/372008028.db2.gz SVLNEVVWMVOZPC-RNZFLTOJSA-N 1 2 299.334 2.276 20 5 CEBDLO Cc1c([C@@H](C)[NH2+][C@H](C)c2nncn2C)cccc1[N+](=O)[O-] ZINC000268830503 372245094 /nfs/dbraw/zinc/24/50/94/372245094.db2.gz BZXWKGXYBWNQJT-GHMZBOCLSA-N 1 2 289.339 2.444 20 5 CEBDLO Cc1cc(C[N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)no1 ZINC000269682150 372531500 /nfs/dbraw/zinc/53/15/00/372531500.db2.gz YPOINHCWCBBGEH-AWEZNQCLSA-N 1 2 291.307 2.057 20 5 CEBDLO Cc1cc(C[N@@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)no1 ZINC000269682150 372531509 /nfs/dbraw/zinc/53/15/09/372531509.db2.gz YPOINHCWCBBGEH-AWEZNQCLSA-N 1 2 291.307 2.057 20 5 CEBDLO O=[N+]([O-])c1cccnc1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000269846103 372577628 /nfs/dbraw/zinc/57/76/28/372577628.db2.gz DJRBSXUYVKOACK-LLVKDONJSA-N 1 2 285.307 2.076 20 5 CEBDLO CCNC(=O)C[N@H+](CC)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000270741416 372931417 /nfs/dbraw/zinc/93/14/17/372931417.db2.gz XPNQJEGLHLTWJZ-LLVKDONJSA-N 1 2 279.340 2.114 20 5 CEBDLO CCNC(=O)C[N@@H+](CC)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000270741416 372931419 /nfs/dbraw/zinc/93/14/19/372931419.db2.gz XPNQJEGLHLTWJZ-LLVKDONJSA-N 1 2 279.340 2.114 20 5 CEBDLO Cc1sc(C(=O)N2CC[N@@H+](C)CC2(C)C)cc1[N+](=O)[O-] ZINC000270946322 373026867 /nfs/dbraw/zinc/02/68/67/373026867.db2.gz UKOVNJYBPYCOMR-UHFFFAOYSA-N 1 2 297.380 2.131 20 5 CEBDLO Cc1sc(C(=O)N2CC[N@H+](C)CC2(C)C)cc1[N+](=O)[O-] ZINC000270946322 373026872 /nfs/dbraw/zinc/02/68/72/373026872.db2.gz UKOVNJYBPYCOMR-UHFFFAOYSA-N 1 2 297.380 2.131 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1NCC1([NH+]2CCOCC2)CC1 ZINC000277415310 374509946 /nfs/dbraw/zinc/50/99/46/374509946.db2.gz LEYHPHPQZFWCPM-UHFFFAOYSA-N 1 2 291.351 2.180 20 5 CEBDLO Cc1nc(N2CCC(c3c[nH]c[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000378130264 375025417 /nfs/dbraw/zinc/02/54/17/375025417.db2.gz BYHDNOCEVUNYEI-UHFFFAOYSA-N 1 2 287.323 2.405 20 5 CEBDLO Cc1nc(N2CCC(c3c[nH+]c[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000378130264 375025423 /nfs/dbraw/zinc/02/54/23/375025423.db2.gz BYHDNOCEVUNYEI-UHFFFAOYSA-N 1 2 287.323 2.405 20 5 CEBDLO CCC(=O)c1ccc(NCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000280100824 375092121 /nfs/dbraw/zinc/09/21/21/375092121.db2.gz UNHUSGKBQGUCDQ-UHFFFAOYSA-N 1 2 288.307 2.496 20 5 CEBDLO C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2F)c2[nH+]ccn21 ZINC000413316749 375777716 /nfs/dbraw/zinc/77/77/16/375777716.db2.gz MGWXVTLFVFXEGK-OIBJUYFYSA-N 1 2 277.259 2.443 20 5 CEBDLO CO[C@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000286553409 375990438 /nfs/dbraw/zinc/99/04/38/375990438.db2.gz UYUYKIFYPKBURI-VIFPVBQESA-N 1 2 272.251 2.094 20 5 CEBDLO CO[C@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000286553409 375990443 /nfs/dbraw/zinc/99/04/43/375990443.db2.gz UYUYKIFYPKBURI-VIFPVBQESA-N 1 2 272.251 2.094 20 5 CEBDLO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCn2c[nH+]cc2C1 ZINC000290588607 376844017 /nfs/dbraw/zinc/84/40/17/376844017.db2.gz CSHUAWDANSSDAQ-UHFFFAOYSA-N 1 2 286.291 2.014 20 5 CEBDLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330417252 377123284 /nfs/dbraw/zinc/12/32/84/377123284.db2.gz DPUOXBGNJHPXTA-JQWIXIFHSA-N 1 2 280.324 2.300 20 5 CEBDLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330417252 377123289 /nfs/dbraw/zinc/12/32/89/377123289.db2.gz DPUOXBGNJHPXTA-JQWIXIFHSA-N 1 2 280.324 2.300 20 5 CEBDLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330417253 377123349 /nfs/dbraw/zinc/12/33/49/377123349.db2.gz DPUOXBGNJHPXTA-PWSUYJOCSA-N 1 2 280.324 2.300 20 5 CEBDLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330417253 377123359 /nfs/dbraw/zinc/12/33/59/377123359.db2.gz DPUOXBGNJHPXTA-PWSUYJOCSA-N 1 2 280.324 2.300 20 5 CEBDLO CC[C@@]1(CO)CCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330457984 377141653 /nfs/dbraw/zinc/14/16/53/377141653.db2.gz RBVLDJWALUOMAW-AWEZNQCLSA-N 1 2 280.324 2.037 20 5 CEBDLO CC[C@@]1(CO)CCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330457984 377141662 /nfs/dbraw/zinc/14/16/62/377141662.db2.gz RBVLDJWALUOMAW-AWEZNQCLSA-N 1 2 280.324 2.037 20 5 CEBDLO O=[N+]([O-])c1cc(C[NH+]2CCC(O)(C(F)F)CC2)cs1 ZINC000331134369 377295655 /nfs/dbraw/zinc/29/56/55/377295655.db2.gz HWTPEQWXUPDGCW-UHFFFAOYSA-N 1 2 292.307 2.248 20 5 CEBDLO COc1cc(NCCc2cn(C)c[nH+]2)c(F)cc1[N+](=O)[O-] ZINC000313484556 249396960 /nfs/dbraw/zinc/39/69/60/249396960.db2.gz MVBBUCOAETWUBP-UHFFFAOYSA-N 1 2 294.286 2.131 20 5 CEBDLO Cc1cccc(CCCNc2ncc([N+](=O)[O-])c(C)n2)[nH+]1 ZINC000295638982 378247021 /nfs/dbraw/zinc/24/70/21/378247021.db2.gz DKVYGFMJLVFNJH-UHFFFAOYSA-N 1 2 287.323 2.441 20 5 CEBDLO Cc1ccc([C@@H](C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)o1 ZINC000348256173 220260700 /nfs/dbraw/zinc/26/07/00/220260700.db2.gz UUZXIPQZZQDNFX-SECBINFHSA-N 1 2 264.285 2.081 20 5 CEBDLO CC[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1nccs1 ZINC000347912082 218396052 /nfs/dbraw/zinc/39/60/52/218396052.db2.gz DDRBGRQZWOZBMH-MRVPVSSYSA-N 1 2 281.341 2.026 20 5 CEBDLO Cc1c(CC(=O)N[C@H](C)c2[nH]cc[nH+]2)cccc1[N+](=O)[O-] ZINC000552227747 380695554 /nfs/dbraw/zinc/69/55/54/380695554.db2.gz PIXATAZPOMTMIV-SNVBAGLBSA-N 1 2 288.307 2.046 20 5 CEBDLO CCn1ncnc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000355581718 394466756 /nfs/dbraw/zinc/46/67/56/394466756.db2.gz KFBXZWAFFFCEJL-UHFFFAOYSA-N 1 2 295.730 2.149 20 5 CEBDLO CCCNC(=O)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413030821 394468608 /nfs/dbraw/zinc/46/86/08/394468608.db2.gz WFVSDBNWYYGPOE-UHFFFAOYSA-N 1 2 288.307 2.081 20 5 CEBDLO CC(C)O[C@H]1C[C@@H]([NH+]=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)C1 ZINC000413385109 394540742 /nfs/dbraw/zinc/54/07/42/394540742.db2.gz QXKNJUGSLCUVNB-JGZJWPJOSA-N 1 2 290.323 2.261 20 5 CEBDLO Cc1ccnc(N2CCC(n3cc[nH+]c3)CC2)c1[N+](=O)[O-] ZINC000265231561 394647436 /nfs/dbraw/zinc/64/74/36/394647436.db2.gz NAIJSYUQHHFMAA-UHFFFAOYSA-N 1 2 287.323 2.336 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[S@](=O)CC[C@H]1C ZINC000373036014 395052890 /nfs/dbraw/zinc/05/28/90/395052890.db2.gz KPNWDIJTZOSGQR-MPBGBICISA-N 1 2 296.392 2.246 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[S@](=O)CC[C@H]1C ZINC000373036014 395052891 /nfs/dbraw/zinc/05/28/91/395052891.db2.gz KPNWDIJTZOSGQR-MPBGBICISA-N 1 2 296.392 2.246 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](F)C1 ZINC000451187057 395590448 /nfs/dbraw/zinc/59/04/48/395590448.db2.gz CHYIMGFXSVFHGQ-SNVBAGLBSA-N 1 2 254.261 2.147 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](F)C1 ZINC000451187057 395590449 /nfs/dbraw/zinc/59/04/49/395590449.db2.gz CHYIMGFXSVFHGQ-SNVBAGLBSA-N 1 2 254.261 2.147 20 5 CEBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000575056857 395645296 /nfs/dbraw/zinc/64/52/96/395645296.db2.gz XGWBMQRFDGTJAP-AWEZNQCLSA-N 1 2 294.376 2.303 20 5 CEBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000575056857 395645297 /nfs/dbraw/zinc/64/52/97/395645297.db2.gz XGWBMQRFDGTJAP-AWEZNQCLSA-N 1 2 294.376 2.303 20 5 CEBDLO Cc1ncc([N+](=O)[O-])n1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000358540374 154671021 /nfs/dbraw/zinc/67/10/21/154671021.db2.gz KFIGWNCAALRHRF-UHFFFAOYSA-N 1 2 283.291 2.334 20 5 CEBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2C[C@@H](O)C3(CC3)C2)c1 ZINC000375315570 157076917 /nfs/dbraw/zinc/07/69/17/157076917.db2.gz SYNZFGRHXHHZRN-GFCCVEGCSA-N 1 2 282.727 2.205 20 5 CEBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2C[C@@H](O)C3(CC3)C2)c1 ZINC000375315570 157076919 /nfs/dbraw/zinc/07/69/19/157076919.db2.gz SYNZFGRHXHHZRN-GFCCVEGCSA-N 1 2 282.727 2.205 20 5 CEBDLO COC[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000284672347 196108235 /nfs/dbraw/zinc/10/82/35/196108235.db2.gz YSSYGIAUTWDJHC-CYBMUJFWSA-N 1 2 294.351 2.221 20 5 CEBDLO COC[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000284672347 196108237 /nfs/dbraw/zinc/10/82/37/196108237.db2.gz YSSYGIAUTWDJHC-CYBMUJFWSA-N 1 2 294.351 2.221 20 5 CEBDLO CO[C@@H](C)C[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285520270 196313451 /nfs/dbraw/zinc/31/34/51/196313451.db2.gz DVXWVTHCLONLSO-QMMMGPOBSA-N 1 2 274.267 2.340 20 5 CEBDLO CO[C@@H](C)C[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285520270 196313452 /nfs/dbraw/zinc/31/34/52/196313452.db2.gz DVXWVTHCLONLSO-QMMMGPOBSA-N 1 2 274.267 2.340 20 5 CEBDLO COc1ccc(C[N@H+]2[C@H](C)COC[C@@H]2C)cc1[N+](=O)[O-] ZINC000077367944 177258352 /nfs/dbraw/zinc/25/83/52/177258352.db2.gz BXVXTCZCDQHBMG-PHIMTYICSA-N 1 2 280.324 2.213 20 5 CEBDLO COc1ccc(C[N@@H+]2[C@H](C)COC[C@@H]2C)cc1[N+](=O)[O-] ZINC000077367944 177258353 /nfs/dbraw/zinc/25/83/53/177258353.db2.gz BXVXTCZCDQHBMG-PHIMTYICSA-N 1 2 280.324 2.213 20 5 CEBDLO C[C@@H]1C[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC[C@@H]1O ZINC000351825279 288208519 /nfs/dbraw/zinc/20/85/19/288208519.db2.gz WZOSCQUOUWUFFL-OQPBUACISA-N 1 2 286.278 2.076 20 5 CEBDLO C[C@@H]1C[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC[C@@H]1O ZINC000351825279 288208521 /nfs/dbraw/zinc/20/85/21/288208521.db2.gz WZOSCQUOUWUFFL-OQPBUACISA-N 1 2 286.278 2.076 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000339050185 280369192 /nfs/dbraw/zinc/36/91/92/280369192.db2.gz FVTBMLXENPDABB-NEPJUHHUSA-N 1 2 292.335 2.159 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000339050185 280369193 /nfs/dbraw/zinc/36/91/93/280369193.db2.gz FVTBMLXENPDABB-NEPJUHHUSA-N 1 2 292.335 2.159 20 5 CEBDLO Cc1cccc2c1C[N@H+](Cc1c([N+](=O)[O-])ncn1C)CC2 ZINC000429563134 281244466 /nfs/dbraw/zinc/24/44/66/281244466.db2.gz BIHIJMKOMHNEMQ-UHFFFAOYSA-N 1 2 286.335 2.195 20 5 CEBDLO Cc1cccc2c1C[N@@H+](Cc1c([N+](=O)[O-])ncn1C)CC2 ZINC000429563134 281244469 /nfs/dbraw/zinc/24/44/69/281244469.db2.gz BIHIJMKOMHNEMQ-UHFFFAOYSA-N 1 2 286.335 2.195 20 5 CEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@](C)(F)C1 ZINC000347346812 289381363 /nfs/dbraw/zinc/38/13/63/289381363.db2.gz IYNAHZOTGQUYOW-QMTHXVAHSA-N 1 2 295.314 2.356 20 5 CEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@](C)(F)C1 ZINC000347346812 289381364 /nfs/dbraw/zinc/38/13/64/289381364.db2.gz IYNAHZOTGQUYOW-QMTHXVAHSA-N 1 2 295.314 2.356 20 5 CEBDLO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000261609031 295298148 /nfs/dbraw/zinc/29/81/48/295298148.db2.gz DNNRQIHPFCOXGQ-MWLCHTKSSA-N 1 2 293.323 2.147 20 5 CEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000531439157 298107605 /nfs/dbraw/zinc/10/76/05/298107605.db2.gz MNYOFKUXDGNNIR-LBPRGKRZSA-N 1 2 287.323 2.060 20 5 CEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000531439157 298107608 /nfs/dbraw/zinc/10/76/08/298107608.db2.gz MNYOFKUXDGNNIR-LBPRGKRZSA-N 1 2 287.323 2.060 20 5 CEBDLO C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ncn(C)n1 ZINC000563418402 298775363 /nfs/dbraw/zinc/77/53/63/298775363.db2.gz OZFULJFZMCDWEY-CABZTGNLSA-N 1 2 287.323 2.061 20 5 CEBDLO Cc1nccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000507243478 313045808 /nfs/dbraw/zinc/04/58/08/313045808.db2.gz MBTZYPRZZDZKQE-UHFFFAOYSA-N 1 2 272.308 2.325 20 5 CEBDLO Cc1nccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000507243478 313045811 /nfs/dbraw/zinc/04/58/11/313045811.db2.gz MBTZYPRZZDZKQE-UHFFFAOYSA-N 1 2 272.308 2.325 20 5 CEBDLO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])s2)c(C)c[nH+]1 ZINC000534300292 313380169 /nfs/dbraw/zinc/38/01/69/313380169.db2.gz XPYDGJWCEAOBMD-UHFFFAOYSA-N 1 2 277.305 2.342 20 5 CEBDLO C[C@@]1(O)CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000571174061 314076678 /nfs/dbraw/zinc/07/66/78/314076678.db2.gz MQMLRQQZWJSQHJ-OAHLLOKOSA-N 1 2 287.319 2.494 20 5 CEBDLO C[C@H](CC(=O)N(C)c1cccc([N+](=O)[O-])c1)n1cc[nH+]c1 ZINC000582609429 322488086 /nfs/dbraw/zinc/48/80/86/322488086.db2.gz PJMAVKYKCAEIIR-LLVKDONJSA-N 1 2 288.307 2.405 20 5 CEBDLO Cc1cc([N+](=O)[O-])cnc1NCCCCn1cc[nH+]c1 ZINC000052812841 525576738 /nfs/dbraw/zinc/57/67/38/525576738.db2.gz LGGMGLVJJUOHKE-UHFFFAOYSA-N 1 2 275.312 2.387 20 5 CEBDLO CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C(C)(C)C(=O)OC ZINC000933190089 623532908 /nfs/dbraw/zinc/53/29/08/623532908.db2.gz HETOTVBPEPZDLD-UHFFFAOYSA-N 1 2 280.324 2.368 20 5 CEBDLO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C(C)(C)C(=O)OC ZINC000933190089 623532914 /nfs/dbraw/zinc/53/29/14/623532914.db2.gz HETOTVBPEPZDLD-UHFFFAOYSA-N 1 2 280.324 2.368 20 5 CEBDLO Cn1cnc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000898045079 632010835 /nfs/dbraw/zinc/01/08/35/632010835.db2.gz HOECQOKIMSINST-UHFFFAOYSA-N 1 2 280.715 2.272 20 5 CEBDLO COc1ccc(OCC[N@@H+]2CCC[C@@H](F)C2)c([N+](=O)[O-])c1 ZINC000902999251 634931076 /nfs/dbraw/zinc/93/10/76/634931076.db2.gz WIMLYYJRGIKHOO-LLVKDONJSA-N 1 2 298.314 2.416 20 5 CEBDLO COc1ccc(OCC[N@H+]2CCC[C@@H](F)C2)c([N+](=O)[O-])c1 ZINC000902999251 634931078 /nfs/dbraw/zinc/93/10/78/634931078.db2.gz WIMLYYJRGIKHOO-LLVKDONJSA-N 1 2 298.314 2.416 20 5 CEBDLO COc1cc([C@@H](C)[NH2+]Cc2nccn2C)cc([N+](=O)[O-])c1 ZINC000903089821 634964002 /nfs/dbraw/zinc/96/40/02/634964002.db2.gz STWODWNBDNCPHU-SNVBAGLBSA-N 1 2 290.323 2.188 20 5 CEBDLO CC[N@H+](C)[C@H](C(=O)OCC(C)(C)[N+](=O)[O-])c1ccccc1 ZINC000851127518 642928644 /nfs/dbraw/zinc/92/86/44/642928644.db2.gz OIPXPOQREZUCST-ZDUSSCGKSA-N 1 2 294.351 2.278 20 5 CEBDLO CC[N@@H+](C)[C@H](C(=O)OCC(C)(C)[N+](=O)[O-])c1ccccc1 ZINC000851127518 642928647 /nfs/dbraw/zinc/92/86/47/642928647.db2.gz OIPXPOQREZUCST-ZDUSSCGKSA-N 1 2 294.351 2.278 20 5 CEBDLO CCOC1C[NH+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877580056 650799078 /nfs/dbraw/zinc/79/90/78/650799078.db2.gz KIUHAABPMYVRAM-UHFFFAOYSA-N 1 2 264.325 2.432 20 5 CEBDLO C[C@@H]1C[N@H+](CCNc2cccc(F)c2[N+](=O)[O-])[C@@H](C)CO1 ZINC000853798370 643904957 /nfs/dbraw/zinc/90/49/57/643904957.db2.gz DNWJBFKHSOHQIQ-WDEREUQCSA-N 1 2 297.330 2.255 20 5 CEBDLO C[C@@H]1C[N@@H+](CCNc2cccc(F)c2[N+](=O)[O-])[C@@H](C)CO1 ZINC000853798370 643904961 /nfs/dbraw/zinc/90/49/61/643904961.db2.gz DNWJBFKHSOHQIQ-WDEREUQCSA-N 1 2 297.330 2.255 20 5 CEBDLO O=C(C[N@@H+]1CC[C@@H]2C[C@@H]21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000761086029 645235685 /nfs/dbraw/zinc/23/56/85/645235685.db2.gz BLWOUPYPMBKVQV-KCJUWKMLSA-N 1 2 295.726 2.281 20 5 CEBDLO O=C(C[N@H+]1CC[C@@H]2C[C@@H]21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000761086029 645235688 /nfs/dbraw/zinc/23/56/88/645235688.db2.gz BLWOUPYPMBKVQV-KCJUWKMLSA-N 1 2 295.726 2.281 20 5 CEBDLO O=C(OCCCn1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000763289574 645529729 /nfs/dbraw/zinc/52/97/29/645529729.db2.gz UCXMXLNJUBWBDK-UHFFFAOYSA-N 1 2 275.264 2.038 20 5 CEBDLO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)ccc1Cl ZINC000782620423 647644939 /nfs/dbraw/zinc/64/49/39/647644939.db2.gz UZARDGPSBJEJOO-GXFFZTMASA-N 1 2 282.727 2.062 20 5 CEBDLO O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)ccc1Cl ZINC000782620423 647644942 /nfs/dbraw/zinc/64/49/42/647644942.db2.gz UZARDGPSBJEJOO-GXFFZTMASA-N 1 2 282.727 2.062 20 5 CEBDLO C[N@@H+]1CCCC[C@H]1C(=O)OCc1ccc([N+](=O)[O-])c(F)c1 ZINC000783775644 647760951 /nfs/dbraw/zinc/76/09/51/647760951.db2.gz HNFJLLDPALNVGY-ZDUSSCGKSA-N 1 2 296.298 2.261 20 5 CEBDLO C[N@H+]1CCCC[C@H]1C(=O)OCc1ccc([N+](=O)[O-])c(F)c1 ZINC000783775644 647760953 /nfs/dbraw/zinc/76/09/53/647760953.db2.gz HNFJLLDPALNVGY-ZDUSSCGKSA-N 1 2 296.298 2.261 20 5 CEBDLO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1ncnn1C ZINC000789595584 648321910 /nfs/dbraw/zinc/32/19/10/648321910.db2.gz WCANLIZIDNHXGA-QMMMGPOBSA-N 1 2 295.730 2.228 20 5 CEBDLO C[C@@H]1CCC[N@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794615624 648893801 /nfs/dbraw/zinc/89/38/01/648893801.db2.gz ALXSBRMNXPNPGE-SNVBAGLBSA-N 1 2 291.307 2.192 20 5 CEBDLO C[C@@H]1CCC[N@@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794615624 648893806 /nfs/dbraw/zinc/89/38/06/648893806.db2.gz ALXSBRMNXPNPGE-SNVBAGLBSA-N 1 2 291.307 2.192 20 5 CEBDLO CC[NH+]1CC(Oc2c(C)cc([N+](=O)[O-])cc2C)C1 ZINC001228570541 806300016 /nfs/dbraw/zinc/30/00/16/806300016.db2.gz DWWOYJXANVRPOQ-UHFFFAOYSA-N 1 2 250.298 2.295 20 5 CEBDLO C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1nnc2n1CCC2 ZINC000037563115 361903718 /nfs/dbraw/zinc/90/37/18/361903718.db2.gz GZZQFJCIYSAYEU-MRVPVSSYSA-N 1 2 293.352 2.045 20 5 CEBDLO Cc1cnc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)n1C ZINC000449349577 282196166 /nfs/dbraw/zinc/19/61/66/282196166.db2.gz RERNUUDXCNUVPN-NSHDSACASA-N 1 2 274.324 2.488 20 5 CEBDLO Cc1c[nH+]c(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)n1C ZINC000449349577 282196167 /nfs/dbraw/zinc/19/61/67/282196167.db2.gz RERNUUDXCNUVPN-NSHDSACASA-N 1 2 274.324 2.488 20 5 CEBDLO COC(=O)[C@H](CC(C)C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000043435177 343463738 /nfs/dbraw/zinc/46/37/38/343463738.db2.gz FOLRRAZUAJVJNX-AWEZNQCLSA-N 1 2 294.351 2.315 20 5 CEBDLO CC(C)[C@H](CNc1ccsc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000063257621 343675320 /nfs/dbraw/zinc/67/53/20/343675320.db2.gz GSPIGIUTNSGCCW-LBPRGKRZSA-N 1 2 299.396 2.425 20 5 CEBDLO O=[N+]([O-])c1cnccc1NCc1cn2ccccc2[nH+]1 ZINC000066796598 343721973 /nfs/dbraw/zinc/72/19/73/343721973.db2.gz XJBSQZILCPFBSG-UHFFFAOYSA-N 1 2 269.264 2.250 20 5 CEBDLO O=[N+]([O-])c1cccc(C[NH+]2CCC(c3nc[nH]n3)CC2)c1 ZINC000083444669 344077153 /nfs/dbraw/zinc/07/71/53/344077153.db2.gz QYFIGIUUNAFMHQ-UHFFFAOYSA-N 1 2 287.323 2.093 20 5 CEBDLO CC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000092406771 344187631 /nfs/dbraw/zinc/18/76/31/344187631.db2.gz VOQFZCRHUFUVNB-CYBMUJFWSA-N 1 2 280.324 2.301 20 5 CEBDLO CC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000092406771 344187634 /nfs/dbraw/zinc/18/76/34/344187634.db2.gz VOQFZCRHUFUVNB-CYBMUJFWSA-N 1 2 280.324 2.301 20 5 CEBDLO COC(=O)[C@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000050050732 362392758 /nfs/dbraw/zinc/39/27/58/362392758.db2.gz ZTDLIOFFERFMDF-CYBMUJFWSA-N 1 2 278.308 2.041 20 5 CEBDLO COC(=O)[C@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000050050732 362392762 /nfs/dbraw/zinc/39/27/62/362392762.db2.gz ZTDLIOFFERFMDF-CYBMUJFWSA-N 1 2 278.308 2.041 20 5 CEBDLO Cc1cc(C[N@H+](C)CCOc2ccccc2[N+](=O)[O-])no1 ZINC000051739566 362435276 /nfs/dbraw/zinc/43/52/76/362435276.db2.gz NDASYEPAZVSENK-UHFFFAOYSA-N 1 2 291.307 2.402 20 5 CEBDLO Cc1cc(C[N@@H+](C)CCOc2ccccc2[N+](=O)[O-])no1 ZINC000051739566 362435279 /nfs/dbraw/zinc/43/52/79/362435279.db2.gz NDASYEPAZVSENK-UHFFFAOYSA-N 1 2 291.307 2.402 20 5 CEBDLO CCn1cc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)nn1 ZINC000404469913 344880816 /nfs/dbraw/zinc/88/08/16/344880816.db2.gz PYPWKNDQAYRBFD-SNVBAGLBSA-N 1 2 275.312 2.057 20 5 CEBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3C[C@@H]4CCC[C@@H]43)nc2c1 ZINC000584759422 344983458 /nfs/dbraw/zinc/98/34/58/344983458.db2.gz QZZHUDQGPSGOND-ZANVPECISA-N 1 2 272.308 2.455 20 5 CEBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3C[C@@H]4CCC[C@@H]43)nc2c1 ZINC000584759422 344983460 /nfs/dbraw/zinc/98/34/60/344983460.db2.gz QZZHUDQGPSGOND-ZANVPECISA-N 1 2 272.308 2.455 20 5 CEBDLO C[N@@H+]1CCO[C@@H](CSc2sccc2[N+](=O)[O-])C1 ZINC000591953630 345305339 /nfs/dbraw/zinc/30/53/39/345305339.db2.gz LUEGQHALWBGUOI-MRVPVSSYSA-N 1 2 274.367 2.079 20 5 CEBDLO C[N@H+]1CCO[C@@H](CSc2sccc2[N+](=O)[O-])C1 ZINC000591953630 345305343 /nfs/dbraw/zinc/30/53/43/345305343.db2.gz LUEGQHALWBGUOI-MRVPVSSYSA-N 1 2 274.367 2.079 20 5 CEBDLO O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc2[nH+]ccn2c1 ZINC000057778244 362596482 /nfs/dbraw/zinc/59/64/82/362596482.db2.gz OGAKAHLFWFRIEZ-UHFFFAOYSA-N 1 2 282.259 2.495 20 5 CEBDLO Cc1noc(C[N@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])n1 ZINC000594616147 345663008 /nfs/dbraw/zinc/66/30/08/345663008.db2.gz SPMOAWNOUJJBFM-ALCCZGGFSA-N 1 2 288.307 2.431 20 5 CEBDLO Cc1noc(C[N@@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])n1 ZINC000594616147 345663009 /nfs/dbraw/zinc/66/30/09/345663009.db2.gz SPMOAWNOUJJBFM-ALCCZGGFSA-N 1 2 288.307 2.431 20 5 CEBDLO COc1cc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])on1 ZINC000595423325 345778247 /nfs/dbraw/zinc/77/82/47/345778247.db2.gz NMCMEVWPPZLSMZ-VIFPVBQESA-N 1 2 277.280 2.442 20 5 CEBDLO CC(C)C[C@H](C[NH3+])CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000595932182 345915004 /nfs/dbraw/zinc/91/50/04/345915004.db2.gz MLIIBXIGFKHNIG-JTQLQIEISA-N 1 2 295.339 2.250 20 5 CEBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCCc3n[nH]cc3C2)cs1 ZINC000596597834 346062573 /nfs/dbraw/zinc/06/25/73/346062573.db2.gz YSSKPEDMXXZMHD-UHFFFAOYSA-N 1 2 278.337 2.328 20 5 CEBDLO O=[N+]([O-])c1cc(C[N@H+]2CCCc3n[nH]cc3C2)cs1 ZINC000596597834 346062576 /nfs/dbraw/zinc/06/25/76/346062576.db2.gz YSSKPEDMXXZMHD-UHFFFAOYSA-N 1 2 278.337 2.328 20 5 CEBDLO CN(C[C@H]1C[C@@H](O)C1)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000599177194 346473712 /nfs/dbraw/zinc/47/37/12/346473712.db2.gz QGWAREOIGNXRGO-GSJFWJNXSA-N 1 2 287.319 2.350 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CC2(C1)CCCO2 ZINC000600188985 346618303 /nfs/dbraw/zinc/61/83/03/346618303.db2.gz FKLKVBROTZPODU-UHFFFAOYSA-N 1 2 262.309 2.268 20 5 CEBDLO COCC1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000601186129 346780616 /nfs/dbraw/zinc/78/06/16/346780616.db2.gz IBQFYRLOMDOBRC-UHFFFAOYSA-N 1 2 273.292 2.226 20 5 CEBDLO C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2[N+](=O)[O-])[C@@H](C)C(=O)N1C ZINC000602848406 347223659 /nfs/dbraw/zinc/22/36/59/347223659.db2.gz NFFHYVLFTNCTGN-WOPDTQHZSA-N 1 2 291.351 2.034 20 5 CEBDLO C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@@H](C)C(=O)N1C ZINC000602848406 347223662 /nfs/dbraw/zinc/22/36/62/347223662.db2.gz NFFHYVLFTNCTGN-WOPDTQHZSA-N 1 2 291.351 2.034 20 5 CEBDLO CCOc1ccc([N+](=O)[O-])cc1CNCc1[nH]cc[nH+]1 ZINC000610150871 347661870 /nfs/dbraw/zinc/66/18/70/347661870.db2.gz CQYJZESYPAIIQN-UHFFFAOYSA-N 1 2 276.296 2.006 20 5 CEBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ncc[nH]1 ZINC000610150871 347661872 /nfs/dbraw/zinc/66/18/72/347661872.db2.gz CQYJZESYPAIIQN-UHFFFAOYSA-N 1 2 276.296 2.006 20 5 CEBDLO O=[N+]([O-])c1c2cccnc2ccc1-n1c[nH+]c(CCCO)c1 ZINC000609560847 347643511 /nfs/dbraw/zinc/64/35/11/347643511.db2.gz JIJXYQQJXCISJA-UHFFFAOYSA-N 1 2 298.302 2.254 20 5 CEBDLO CN(Cc1[nH+]ccn1C)c1ccc([N+](=O)[O-])s1 ZINC000611239181 347756674 /nfs/dbraw/zinc/75/66/74/347756674.db2.gz REBMZEMSKHVDPQ-UHFFFAOYSA-N 1 2 252.299 2.026 20 5 CEBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+](CCO)C1CC1 ZINC000107904834 186197812 /nfs/dbraw/zinc/19/78/12/186197812.db2.gz TZKYMPXJVOSBOQ-UHFFFAOYSA-N 1 2 270.716 2.205 20 5 CEBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+](CCO)C1CC1 ZINC000107904834 186197813 /nfs/dbraw/zinc/19/78/13/186197813.db2.gz TZKYMPXJVOSBOQ-UHFFFAOYSA-N 1 2 270.716 2.205 20 5 CEBDLO Cc1ccc(Cc2nc(CCC(C)(C)[N+](=O)[O-])no2)c[nH+]1 ZINC000291107300 197919547 /nfs/dbraw/zinc/91/95/47/197919547.db2.gz SFMKJLGKARHDEV-UHFFFAOYSA-N 1 2 290.323 2.352 20 5 CEBDLO CCCc1[nH]nc(C(=O)Nc2cc[nH+]c(C)c2)c1[N+](=O)[O-] ZINC000109363879 186250841 /nfs/dbraw/zinc/25/08/41/186250841.db2.gz GKYOOMHICZRUGT-UHFFFAOYSA-N 1 2 289.295 2.226 20 5 CEBDLO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1nccn1C ZINC000070445442 363083024 /nfs/dbraw/zinc/08/30/24/363083024.db2.gz TTZAZCQEJCQTCR-JTQLQIEISA-N 1 2 260.297 2.179 20 5 CEBDLO C[C@H]1C[C@H](Nc2ncccc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000450835343 282793765 /nfs/dbraw/zinc/79/37/65/282793765.db2.gz WXHCEWGCQSYUFP-IUCAKERBSA-N 1 2 259.269 2.304 20 5 CEBDLO CC(C)NC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153318681 188076379 /nfs/dbraw/zinc/07/63/79/188076379.db2.gz WOYPSOPZTXELMW-UHFFFAOYSA-N 1 2 291.351 2.084 20 5 CEBDLO CC(C)NC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153318681 188076381 /nfs/dbraw/zinc/07/63/81/188076381.db2.gz WOYPSOPZTXELMW-UHFFFAOYSA-N 1 2 291.351 2.084 20 5 CEBDLO Cc1cc(C)c([N+](=O)[O-])c(SC[C@H]2C[N@H+](C)CCO2)n1 ZINC000575395527 366275797 /nfs/dbraw/zinc/27/57/97/366275797.db2.gz DDCLYMOVMQXTMK-LLVKDONJSA-N 1 2 297.380 2.029 20 5 CEBDLO Cc1cc(C)c([N+](=O)[O-])c(SC[C@H]2C[N@@H+](C)CCO2)n1 ZINC000575395527 366275801 /nfs/dbraw/zinc/27/58/01/366275801.db2.gz DDCLYMOVMQXTMK-LLVKDONJSA-N 1 2 297.380 2.029 20 5 CEBDLO CCOC1C[NH+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000297532680 200220822 /nfs/dbraw/zinc/22/08/22/200220822.db2.gz XWCRVZCGUKGRCD-FNORWQNLSA-N 1 2 262.309 2.329 20 5 CEBDLO Cc1c[nH+]ccc1CCNc1ncc([N+](=O)[O-])c(C)n1 ZINC000297602387 200239202 /nfs/dbraw/zinc/23/92/02/200239202.db2.gz VCECLIHZNLXYDG-UHFFFAOYSA-N 1 2 273.296 2.051 20 5 CEBDLO CC[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1[nH]cc[nH+]1 ZINC000140477173 366559770 /nfs/dbraw/zinc/55/97/70/366559770.db2.gz OOZTWGBUMGHIQG-GFCCVEGCSA-N 1 2 288.307 2.128 20 5 CEBDLO CC[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000140668893 366562319 /nfs/dbraw/zinc/56/23/19/366562319.db2.gz JCASWOCEKHMQGK-NSHDSACASA-N 1 2 292.270 2.338 20 5 CEBDLO C[C@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000179860506 189224604 /nfs/dbraw/zinc/22/46/04/189224604.db2.gz STTHPQWVCREPQY-FUEXJSSKSA-N 1 2 262.309 2.329 20 5 CEBDLO C[C@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000179860506 189224605 /nfs/dbraw/zinc/22/46/05/189224605.db2.gz STTHPQWVCREPQY-FUEXJSSKSA-N 1 2 262.309 2.329 20 5 CEBDLO C[C@@]([NH2+]Cc1cccc([N+](=O)[O-])c1)(C(N)=O)c1ccccc1 ZINC000101548614 364560256 /nfs/dbraw/zinc/56/02/56/364560256.db2.gz LXLXDCAZRAIGFO-INIZCTEOSA-N 1 2 299.330 2.085 20 5 CEBDLO CC[C@@H]1COCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000115573859 365015086 /nfs/dbraw/zinc/01/50/86/365015086.db2.gz NBNGRSJKWUXFQV-GFCCVEGCSA-N 1 2 250.298 2.206 20 5 CEBDLO CC[C@@H]1COCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000115573859 365015092 /nfs/dbraw/zinc/01/50/92/365015092.db2.gz NBNGRSJKWUXFQV-GFCCVEGCSA-N 1 2 250.298 2.206 20 5 CEBDLO O=[N+]([O-])c1cc(CNc2ccc(CO)c[nH+]2)cs1 ZINC000340584796 366945728 /nfs/dbraw/zinc/94/57/28/366945728.db2.gz XBJUSWSGKRYBHZ-UHFFFAOYSA-N 1 2 265.294 2.156 20 5 CEBDLO COc1cc(C[N@H+]2CCC[C@@H](OC)C2)c([N+](=O)[O-])cc1F ZINC000184198679 368679951 /nfs/dbraw/zinc/67/99/51/368679951.db2.gz YGYJURPJYFRVAQ-LLVKDONJSA-N 1 2 298.314 2.353 20 5 CEBDLO COc1cc(C[N@@H+]2CCC[C@@H](OC)C2)c([N+](=O)[O-])cc1F ZINC000184198679 368679955 /nfs/dbraw/zinc/67/99/55/368679955.db2.gz YGYJURPJYFRVAQ-LLVKDONJSA-N 1 2 298.314 2.353 20 5 CEBDLO Cc1ncc([N+](=O)[O-])n1Cc1[nH+]ccn1Cc1ccccc1 ZINC000346612343 368734863 /nfs/dbraw/zinc/73/48/63/368734863.db2.gz VVDMKDRJRBIGCP-UHFFFAOYSA-N 1 2 297.318 2.393 20 5 CEBDLO Cc1noc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)n1 ZINC000348095606 368895554 /nfs/dbraw/zinc/89/55/54/368895554.db2.gz JLZAPDWGPQBKPH-VIFPVBQESA-N 1 2 276.296 2.445 20 5 CEBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ncccn1 ZINC000352571471 369790542 /nfs/dbraw/zinc/79/05/42/369790542.db2.gz VEMNGWXQZNCTQR-UHFFFAOYSA-N 1 2 272.308 2.059 20 5 CEBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ncccn1 ZINC000352571471 369790545 /nfs/dbraw/zinc/79/05/45/369790545.db2.gz VEMNGWXQZNCTQR-UHFFFAOYSA-N 1 2 272.308 2.059 20 5 CEBDLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000353161857 370047339 /nfs/dbraw/zinc/04/73/39/370047339.db2.gz NGALELRSDRKAGJ-UHFFFAOYSA-N 1 2 294.698 2.210 20 5 CEBDLO O=[N+]([O-])c1cc(F)c(NCCn2cc[nH+]c2)c(F)c1 ZINC000227887588 370388062 /nfs/dbraw/zinc/38/80/62/370388062.db2.gz RZJKIDOQBBHRHN-UHFFFAOYSA-N 1 2 268.223 2.182 20 5 CEBDLO C[C@@H]1CCN(c2ncc([N+](=O)[O-])s2)C[C@H]1n1cc[nH+]c1 ZINC000249301609 371312682 /nfs/dbraw/zinc/31/26/82/371312682.db2.gz SDYUVIKYPSVPCD-NXEZZACHSA-N 1 2 293.352 2.335 20 5 CEBDLO CC(=O)c1ccc([N+](=O)[O-])cc1N(C)Cc1[nH]cc[nH+]1 ZINC000360909102 371540502 /nfs/dbraw/zinc/54/05/02/371540502.db2.gz CHUKOYXGUWGWBI-UHFFFAOYSA-N 1 2 274.280 2.157 20 5 CEBDLO CC(C)NC(=O)C[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000254975095 371544064 /nfs/dbraw/zinc/54/40/64/371544064.db2.gz NXZDUTOTSZKBGA-VURMDHGXSA-N 1 2 291.351 2.064 20 5 CEBDLO CC(C)NC(=O)C[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000254975095 371544071 /nfs/dbraw/zinc/54/40/71/371544071.db2.gz NXZDUTOTSZKBGA-VURMDHGXSA-N 1 2 291.351 2.064 20 5 CEBDLO COC(=O)C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C(C)C ZINC000254974316 371545223 /nfs/dbraw/zinc/54/52/23/371545223.db2.gz HSLHOCZNPXASKZ-VURMDHGXSA-N 1 2 292.335 2.491 20 5 CEBDLO COC(=O)C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C(C)C ZINC000254974316 371545227 /nfs/dbraw/zinc/54/52/27/371545227.db2.gz HSLHOCZNPXASKZ-VURMDHGXSA-N 1 2 292.335 2.491 20 5 CEBDLO CC[C@@H]1C[N@H+](CCNc2cc(C)ccc2[N+](=O)[O-])CCO1 ZINC000362662494 372476911 /nfs/dbraw/zinc/47/69/11/372476911.db2.gz JBAHWAUZYAUEIA-CYBMUJFWSA-N 1 2 293.367 2.426 20 5 CEBDLO CC[C@@H]1C[N@@H+](CCNc2cc(C)ccc2[N+](=O)[O-])CCO1 ZINC000362662494 372476917 /nfs/dbraw/zinc/47/69/17/372476917.db2.gz JBAHWAUZYAUEIA-CYBMUJFWSA-N 1 2 293.367 2.426 20 5 CEBDLO CC[C@H]1C[N@H+](CCNc2ccc(C)cc2[N+](=O)[O-])CCO1 ZINC000362670384 372480422 /nfs/dbraw/zinc/48/04/22/372480422.db2.gz JYDFZTKVRSKIEE-ZDUSSCGKSA-N 1 2 293.367 2.426 20 5 CEBDLO CC[C@H]1C[N@@H+](CCNc2ccc(C)cc2[N+](=O)[O-])CCO1 ZINC000362670384 372480427 /nfs/dbraw/zinc/48/04/27/372480427.db2.gz JYDFZTKVRSKIEE-ZDUSSCGKSA-N 1 2 293.367 2.426 20 5 CEBDLO Cc1ccc(C[N@@H+]2CC[S@](=O)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000277386668 374499619 /nfs/dbraw/zinc/49/96/19/374499619.db2.gz GPFDVKAHHAWFQX-YBTHPKLGSA-N 1 2 296.392 2.104 20 5 CEBDLO Cc1ccc(C[N@H+]2CC[S@](=O)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000277386668 374499625 /nfs/dbraw/zinc/49/96/25/374499625.db2.gz GPFDVKAHHAWFQX-YBTHPKLGSA-N 1 2 296.392 2.104 20 5 CEBDLO Cc1nc(N(C)CCc2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC000286700218 376040674 /nfs/dbraw/zinc/04/06/74/376040674.db2.gz YKBQMIUDGDHXBM-UHFFFAOYSA-N 1 2 272.308 2.372 20 5 CEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)C1CC(OC(C)(C)C)C1 ZINC000421009075 376784794 /nfs/dbraw/zinc/78/47/94/376784794.db2.gz MROWXRHTBXBVCQ-UHFFFAOYSA-N 1 2 296.371 2.106 20 5 CEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)C1CC(OC(C)(C)C)C1 ZINC000421009075 376784800 /nfs/dbraw/zinc/78/48/00/376784800.db2.gz MROWXRHTBXBVCQ-UHFFFAOYSA-N 1 2 296.371 2.106 20 5 CEBDLO CO[C@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC[C@H]1C ZINC000330458985 377144630 /nfs/dbraw/zinc/14/46/30/377144630.db2.gz SMFYAQQJFFBKKA-YGRLFVJLSA-N 1 2 280.324 2.157 20 5 CEBDLO CO[C@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC[C@H]1C ZINC000330458985 377144633 /nfs/dbraw/zinc/14/46/33/377144633.db2.gz SMFYAQQJFFBKKA-YGRLFVJLSA-N 1 2 280.324 2.157 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H](C)[C@@H]1C ZINC000293172056 377457093 /nfs/dbraw/zinc/45/70/93/377457093.db2.gz WEPKVQXTWMYUHW-MNOVXSKESA-N 1 2 277.324 2.182 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000293172056 377457099 /nfs/dbraw/zinc/45/70/99/377457099.db2.gz WEPKVQXTWMYUHW-MNOVXSKESA-N 1 2 277.324 2.182 20 5 CEBDLO COC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000332202837 377541729 /nfs/dbraw/zinc/54/17/29/377541729.db2.gz DOXWXWLUIRVDJI-UHFFFAOYSA-N 1 2 290.323 2.082 20 5 CEBDLO COc1nccnc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000295338880 378112341 /nfs/dbraw/zinc/11/23/41/378112341.db2.gz BDSIJATXPJIHGY-SNVBAGLBSA-N 1 2 288.307 2.244 20 5 CEBDLO CO[C@H]1CCC[C@@H]1C[NH+]=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000447692607 378131278 /nfs/dbraw/zinc/13/12/78/378131278.db2.gz GPVAQLBDRBDROS-RNCFNFMXSA-N 1 2 290.323 2.120 20 5 CEBDLO CCn1cc[nH+]c1CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000295774652 378299630 /nfs/dbraw/zinc/29/96/30/378299630.db2.gz PMJZHLMVIVMSAV-UHFFFAOYSA-N 1 2 288.307 2.050 20 5 CEBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000347329420 218191442 /nfs/dbraw/zinc/19/14/42/218191442.db2.gz BDPPKKFZWYRBND-XFXZXTDPSA-N 1 2 262.309 2.330 20 5 CEBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCn2ncnc2C1 ZINC000347383367 218214298 /nfs/dbraw/zinc/21/42/98/218214298.db2.gz WNUXZQUZMCEUAH-KPKJPENVSA-N 1 2 299.334 2.105 20 5 CEBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCn2ncnc2C1 ZINC000347383367 218214300 /nfs/dbraw/zinc/21/43/00/218214300.db2.gz WNUXZQUZMCEUAH-KPKJPENVSA-N 1 2 299.334 2.105 20 5 CEBDLO COC[C@H]1C[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000266558623 190266883 /nfs/dbraw/zinc/26/68/83/190266883.db2.gz WVJYKOWRLXVHAP-NWDGAFQWSA-N 1 2 280.324 2.003 20 5 CEBDLO COC[C@H]1C[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000266558623 190266884 /nfs/dbraw/zinc/26/68/84/190266884.db2.gz WVJYKOWRLXVHAP-NWDGAFQWSA-N 1 2 280.324 2.003 20 5 CEBDLO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)c2[nH+]ccn21 ZINC000456407562 379429901 /nfs/dbraw/zinc/42/99/01/379429901.db2.gz YSHZMRDRYZLTJV-YUMQZZPRSA-N 1 2 292.320 2.289 20 5 CEBDLO C[C@@H]1C[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000456397463 379425652 /nfs/dbraw/zinc/42/56/52/379425652.db2.gz TWDWNSXVRRKDIC-VXNVDRBHSA-N 1 2 292.320 2.289 20 5 CEBDLO C[N@H+]1CCO[C@H](CSc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000580711411 322337811 /nfs/dbraw/zinc/33/78/11/322337811.db2.gz CWPHKHAXEAKYHW-JTQLQIEISA-N 1 2 286.328 2.157 20 5 CEBDLO COc1cc[nH+]cc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000353837303 220357999 /nfs/dbraw/zinc/35/79/99/220357999.db2.gz BSATZURWRDUHNU-UHFFFAOYSA-N 1 2 273.248 2.251 20 5 CEBDLO CCOc1ccc([N+](=O)[O-])cc1NCc1[nH+]ccn1C ZINC000281384862 195219552 /nfs/dbraw/zinc/21/95/52/195219552.db2.gz ZDCWQHWFRNWEKX-UHFFFAOYSA-N 1 2 276.296 2.339 20 5 CEBDLO COC[C@H](CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21)OC ZINC000413250312 394512579 /nfs/dbraw/zinc/51/25/79/394512579.db2.gz UVOJGBDNYGFDOO-LBPRGKRZSA-N 1 2 291.307 2.216 20 5 CEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC[C@](O)(C4CC4)C3)c2c1 ZINC000413276846 394517694 /nfs/dbraw/zinc/51/76/94/394517694.db2.gz ZENUXLHABDDKGK-MRXNPFEDSA-N 1 2 299.330 2.494 20 5 CEBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCO[C@@H](CF)C1 ZINC000414466346 394743590 /nfs/dbraw/zinc/74/35/90/394743590.db2.gz BHRRPJPJGXPENI-DXTPNHAXSA-N 1 2 280.299 2.278 20 5 CEBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCO[C@@H](CF)C1 ZINC000414466346 394743593 /nfs/dbraw/zinc/74/35/93/394743593.db2.gz BHRRPJPJGXPENI-DXTPNHAXSA-N 1 2 280.299 2.278 20 5 CEBDLO CO[C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1C ZINC000449497099 395551267 /nfs/dbraw/zinc/55/12/67/395551267.db2.gz KEARXLUWKPBNHQ-QMTHXVAHSA-N 1 2 280.324 2.157 20 5 CEBDLO CO[C@@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1C ZINC000449497099 395551269 /nfs/dbraw/zinc/55/12/69/395551269.db2.gz KEARXLUWKPBNHQ-QMTHXVAHSA-N 1 2 280.324 2.157 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(NCCNc2cccc[nH+]2)n1 ZINC000360668317 155347561 /nfs/dbraw/zinc/34/75/61/155347561.db2.gz GFCBELATJPZXRI-UHFFFAOYSA-N 1 2 273.296 2.217 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@]12CCOC2=O ZINC000190030095 153116423 /nfs/dbraw/zinc/11/64/23/153116423.db2.gz CWOSABLGLPMYLB-HNNXBMFYSA-N 1 2 290.319 2.185 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@]12CCOC2=O ZINC000190030095 153116424 /nfs/dbraw/zinc/11/64/24/153116424.db2.gz CWOSABLGLPMYLB-HNNXBMFYSA-N 1 2 290.319 2.185 20 5 CEBDLO Cc1cc(-n2cc[nH+]c2)ccc1Cn1nccc1[N+](=O)[O-] ZINC000194532285 153256936 /nfs/dbraw/zinc/25/69/36/153256936.db2.gz HFODJAZWGOVNFN-UHFFFAOYSA-N 1 2 283.291 2.334 20 5 CEBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H]2c2ccccc2F)n1 ZINC000363596636 156031609 /nfs/dbraw/zinc/03/16/09/156031609.db2.gz FTPHMBVRRNOJHW-ZDUSSCGKSA-N 1 2 290.298 2.377 20 5 CEBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H]2c2ccccc2F)n1 ZINC000363596636 156031615 /nfs/dbraw/zinc/03/16/15/156031615.db2.gz FTPHMBVRRNOJHW-ZDUSSCGKSA-N 1 2 290.298 2.377 20 5 CEBDLO O=[N+]([O-])c1ccccc1C[NH+]1CC(O)(c2ccccc2)C1 ZINC000375898799 157160051 /nfs/dbraw/zinc/16/00/51/157160051.db2.gz XQYFFDNGXJUEPI-UHFFFAOYSA-N 1 2 284.315 2.298 20 5 CEBDLO C[C@@H](O)[C@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285288587 196241142 /nfs/dbraw/zinc/24/11/42/196241142.db2.gz BARHLBRRMQCYPC-BDAKNGLRSA-N 1 2 286.278 2.076 20 5 CEBDLO C[C@@H](O)[C@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285288587 196241144 /nfs/dbraw/zinc/24/11/44/196241144.db2.gz BARHLBRRMQCYPC-BDAKNGLRSA-N 1 2 286.278 2.076 20 5 CEBDLO O=[N+]([O-])c1ccc(C[NH+]2CC(O)(c3ccccc3)C2)cc1 ZINC000285485863 196300658 /nfs/dbraw/zinc/30/06/58/196300658.db2.gz BZWXRYIIOAGENW-UHFFFAOYSA-N 1 2 284.315 2.298 20 5 CEBDLO COC(=O)C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000078818962 177393180 /nfs/dbraw/zinc/39/31/80/177393180.db2.gz HNRXTWCQXLBZEL-UHFFFAOYSA-N 1 2 284.337 2.041 20 5 CEBDLO Cc1nnc([C@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])[nH]1 ZINC000392378303 270340125 /nfs/dbraw/zinc/34/01/25/270340125.db2.gz QDOLVGFPVGMTBU-BDAKNGLRSA-N 1 2 275.312 2.433 20 5 CEBDLO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])[nH]1 ZINC000392378308 270340266 /nfs/dbraw/zinc/34/02/66/270340266.db2.gz QDOLVGFPVGMTBU-RKDXNWHRSA-N 1 2 275.312 2.433 20 5 CEBDLO CC(C)(C[NH+]1CCOCC1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000308662552 277299495 /nfs/dbraw/zinc/29/94/95/277299495.db2.gz HHXRXMOWYZRVJL-UHFFFAOYSA-N 1 2 297.330 2.257 20 5 CEBDLO CCN1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)(C)C1=O ZINC000186517016 279363379 /nfs/dbraw/zinc/36/33/79/279363379.db2.gz LAWCODSSNNNAMM-UHFFFAOYSA-N 1 2 291.351 2.038 20 5 CEBDLO CCN1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)(C)C1=O ZINC000186517016 279363381 /nfs/dbraw/zinc/36/33/81/279363381.db2.gz LAWCODSSNNNAMM-UHFFFAOYSA-N 1 2 291.351 2.038 20 5 CEBDLO CCn1cc[nH+]c1CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153059067 289104650 /nfs/dbraw/zinc/10/46/50/289104650.db2.gz RWKGUYHLLNWVLJ-UHFFFAOYSA-N 1 2 286.335 2.370 20 5 CEBDLO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)c2[nH+]ccn21 ZINC000456407554 289607716 /nfs/dbraw/zinc/60/77/16/289607716.db2.gz YSHZMRDRYZLTJV-HTQZYQBOSA-N 1 2 292.320 2.289 20 5 CEBDLO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC(F)F ZINC000459551380 290176272 /nfs/dbraw/zinc/17/62/72/290176272.db2.gz VSLIXGFFBRGJKG-QMMMGPOBSA-N 1 2 287.266 2.167 20 5 CEBDLO CCOC1C[NH+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000459615479 290195614 /nfs/dbraw/zinc/19/56/14/290195614.db2.gz XWCRVZCGUKGRCD-ALCCZGGFSA-N 1 2 262.309 2.329 20 5 CEBDLO CCC[C@H](C)[C@H](CO)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000570336074 314034031 /nfs/dbraw/zinc/03/40/31/314034031.db2.gz SFDWCIZYCMGHNW-GWCFXTLKSA-N 1 2 282.340 2.187 20 5 CEBDLO C[N@@H+]1CCO[C@H](CSc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000580711411 322337810 /nfs/dbraw/zinc/33/78/10/322337810.db2.gz CWPHKHAXEAKYHW-JTQLQIEISA-N 1 2 286.328 2.157 20 5 CEBDLO COC(=O)[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000183250590 523955602 /nfs/dbraw/zinc/95/56/02/523955602.db2.gz KICZVBXXCNQNQM-CYBMUJFWSA-N 1 2 278.308 2.041 20 5 CEBDLO COC(=O)[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000183250590 523955605 /nfs/dbraw/zinc/95/56/05/523955605.db2.gz KICZVBXXCNQNQM-CYBMUJFWSA-N 1 2 278.308 2.041 20 5 CEBDLO C/C(=C/C(=O)NCc1[nH]cc[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC000752280855 574476972 /nfs/dbraw/zinc/47/69/72/574476972.db2.gz DPQRLUBIYQPOLB-NTMALXAHSA-N 1 2 286.291 2.038 20 5 CEBDLO Cc1nnc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)[nH]1 ZINC000894779161 629634211 /nfs/dbraw/zinc/63/42/11/629634211.db2.gz VTJWLBNAXJTFKE-SECBINFHSA-N 1 2 275.312 2.181 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(C(=O)O[C@@H]2CC[N@H+](CCF)C2)c1 ZINC000802235562 631409863 /nfs/dbraw/zinc/40/98/63/631409863.db2.gz PBVZKFDLMWHXNA-LLVKDONJSA-N 1 2 296.298 2.104 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(C(=O)O[C@@H]2CC[N@@H+](CCF)C2)c1 ZINC000802235562 631409868 /nfs/dbraw/zinc/40/98/68/631409868.db2.gz PBVZKFDLMWHXNA-LLVKDONJSA-N 1 2 296.298 2.104 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)CC(=O)NC(C)C ZINC000876549377 650319866 /nfs/dbraw/zinc/31/98/66/650319866.db2.gz NOPKBJTXHVJECP-UHFFFAOYSA-N 1 2 293.367 2.168 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)CC(=O)NC(C)C ZINC000876549377 650319868 /nfs/dbraw/zinc/31/98/68/650319868.db2.gz NOPKBJTXHVJECP-UHFFFAOYSA-N 1 2 293.367 2.168 20 5 CEBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000908281335 637283815 /nfs/dbraw/zinc/28/38/15/637283815.db2.gz RPDBXNVYRAQBHC-GFCCVEGCSA-N 1 2 293.323 2.026 20 5 CEBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCC[N@H+]1C ZINC000908281335 637283817 /nfs/dbraw/zinc/28/38/17/637283817.db2.gz RPDBXNVYRAQBHC-GFCCVEGCSA-N 1 2 293.323 2.026 20 5 CEBDLO O=C(OC1CCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835191144 638102050 /nfs/dbraw/zinc/10/20/50/638102050.db2.gz DDQRYHDQAPSCSM-UHFFFAOYSA-N 1 2 287.275 2.490 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000923029455 643523789 /nfs/dbraw/zinc/52/37/89/643523789.db2.gz GYFVNUSABCYYOQ-AWEZNQCLSA-N 1 2 292.335 2.492 20 5 CEBDLO O=C(OCC1CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000103331725 644188360 /nfs/dbraw/zinc/18/83/60/644188360.db2.gz FJQYJLJCJGXTSE-UHFFFAOYSA-N 1 2 287.275 2.347 20 5 CEBDLO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000839201279 644192475 /nfs/dbraw/zinc/19/24/75/644192475.db2.gz IKHKXGBZDCOSEW-QWRGUYRKSA-N 1 2 268.313 2.424 20 5 CEBDLO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000839201279 644192479 /nfs/dbraw/zinc/19/24/79/644192479.db2.gz IKHKXGBZDCOSEW-QWRGUYRKSA-N 1 2 268.313 2.424 20 5 CEBDLO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000857856596 644983517 /nfs/dbraw/zinc/98/35/17/644983517.db2.gz AWYAWIXMPNFGNS-LBPRGKRZSA-N 1 2 272.308 2.485 20 5 CEBDLO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000857856596 644983519 /nfs/dbraw/zinc/98/35/19/644983519.db2.gz AWYAWIXMPNFGNS-LBPRGKRZSA-N 1 2 272.308 2.485 20 5 CEBDLO CN(C)c1cc(COc2cccnc2[N+](=O)[O-])cc[nH+]1 ZINC000762467040 645414800 /nfs/dbraw/zinc/41/48/00/645414800.db2.gz AZPZFMJQIBRIHF-UHFFFAOYSA-N 1 2 274.280 2.030 20 5 CEBDLO CC[C@@](C)(CC(=O)OC)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000763442998 645546883 /nfs/dbraw/zinc/54/68/83/645546883.db2.gz COFAZXGIUYYZCX-AWEZNQCLSA-N 1 2 296.323 2.122 20 5 CEBDLO C[C@@H](C[NH+]1CCOCC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000122595574 648459113 /nfs/dbraw/zinc/45/91/13/648459113.db2.gz GVDVHZBASHCBBJ-JTQLQIEISA-N 1 2 299.758 2.381 20 5 CEBDLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC[N+](=O)[O-])s1 ZINC000791052404 648476319 /nfs/dbraw/zinc/47/63/19/648476319.db2.gz NAAMOWSQWYGUBQ-SECBINFHSA-N 1 2 257.359 2.283 20 5 CEBDLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC[N+](=O)[O-])s1 ZINC000791052404 648476317 /nfs/dbraw/zinc/47/63/17/648476317.db2.gz NAAMOWSQWYGUBQ-SECBINFHSA-N 1 2 257.359 2.283 20 5 CEBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC=C(Cl)C2)c1 ZINC000878792029 651186496 /nfs/dbraw/zinc/18/64/96/651186496.db2.gz MIKYSBAXUYMJAJ-ZDUSSCGKSA-N 1 2 282.727 2.457 20 5 CEBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC=C(Cl)C2)c1 ZINC000878792029 651186498 /nfs/dbraw/zinc/18/64/98/651186498.db2.gz MIKYSBAXUYMJAJ-ZDUSSCGKSA-N 1 2 282.727 2.457 20 5 CEBDLO C[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccnn1C ZINC000879684681 651339072 /nfs/dbraw/zinc/33/90/72/651339072.db2.gz MKRJSTNJFCSACO-SECBINFHSA-N 1 2 278.287 2.318 20 5 CEBDLO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC(F)(F)C(F)(F)F)C1 ZINC001168966143 811319086 /nfs/dbraw/zinc/31/90/86/811319086.db2.gz GNJLQPGSRQMVOR-RNFRBKRXSA-N 1 2 276.205 2.219 20 5 CEBDLO COc1ccc(C[C@H](C)[N@@H+]2CCO[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001170336339 812390414 /nfs/dbraw/zinc/39/04/14/812390414.db2.gz WQWDJQAGOVMUOU-NWDGAFQWSA-N 1 2 294.351 2.255 20 5 CEBDLO COc1ccc(C[C@H](C)[N@H+]2CCO[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001170336339 812390422 /nfs/dbraw/zinc/39/04/22/812390422.db2.gz WQWDJQAGOVMUOU-NWDGAFQWSA-N 1 2 294.351 2.255 20 5 CEBDLO CCOC(=O)[C@H](CC)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173218750 815624718 /nfs/dbraw/zinc/62/47/18/815624718.db2.gz LNHKBRMUPPGKNR-RISCZKNCSA-N 1 2 294.351 2.457 20 5 CEBDLO CCN(CC)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032481569 361738776 /nfs/dbraw/zinc/73/87/76/361738776.db2.gz RGJZFAHCYDOMIW-UHFFFAOYSA-N 1 2 288.307 2.263 20 5 CEBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCOC1 ZINC000096687097 185109788 /nfs/dbraw/zinc/10/97/88/185109788.db2.gz DKTNFOLCMGLVQF-NSHDSACASA-N 1 2 270.716 2.469 20 5 CEBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCOC1 ZINC000096687097 185109789 /nfs/dbraw/zinc/10/97/89/185109789.db2.gz DKTNFOLCMGLVQF-NSHDSACASA-N 1 2 270.716 2.469 20 5 CEBDLO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1nncn1C ZINC000037016376 361882560 /nfs/dbraw/zinc/88/25/60/361882560.db2.gz MALJEDDVWJFQDR-VHSXEESVSA-N 1 2 275.312 2.135 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1CNc1ccc(N(C)C)c[nH+]1 ZINC000350824157 219063864 /nfs/dbraw/zinc/06/38/64/219063864.db2.gz BGGBICZYONWDHH-UHFFFAOYSA-N 1 2 286.335 2.398 20 5 CEBDLO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1C)C1COC1 ZINC000449421467 282229152 /nfs/dbraw/zinc/22/91/52/282229152.db2.gz AIVJPMMYZFBWLZ-UHFFFAOYSA-N 1 2 250.298 2.124 20 5 CEBDLO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)C1COC1 ZINC000449421467 282229156 /nfs/dbraw/zinc/22/91/56/282229156.db2.gz AIVJPMMYZFBWLZ-UHFFFAOYSA-N 1 2 250.298 2.124 20 5 CEBDLO CC(C)(CNc1ccc([N+](=O)[O-])cc1F)[NH+]1CCOCC1 ZINC000042096682 343447660 /nfs/dbraw/zinc/44/76/60/343447660.db2.gz ZWIQIDSOXCJZQO-UHFFFAOYSA-N 1 2 297.330 2.257 20 5 CEBDLO O=[N+]([O-])c1cc(C[NH+]2CCSCC2)c2c(c1)COCO2 ZINC000047993854 343524132 /nfs/dbraw/zinc/52/41/32/343524132.db2.gz JBILKUUISUKIIA-UHFFFAOYSA-N 1 2 296.348 2.010 20 5 CEBDLO CCn1cc[nH+]c1CNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000295035790 199312902 /nfs/dbraw/zinc/31/29/02/199312902.db2.gz SGRFVENEZLXDBS-UHFFFAOYSA-N 1 2 287.323 2.391 20 5 CEBDLO CN(C)c1ccc(Nc2ccncc2[N+](=O)[O-])c[nH+]1 ZINC000066797645 343722341 /nfs/dbraw/zinc/72/23/41/343722341.db2.gz IEEDHTXAONCWLZ-UHFFFAOYSA-N 1 2 259.269 2.194 20 5 CEBDLO COc1ccc(C[N@@H+]2CCOCC23CCC3)cc1[N+](=O)[O-] ZINC000135516186 344382199 /nfs/dbraw/zinc/38/21/99/344382199.db2.gz ZOUCHANEDGBYOG-UHFFFAOYSA-N 1 2 292.335 2.358 20 5 CEBDLO COc1ccc(C[N@H+]2CCOCC23CCC3)cc1[N+](=O)[O-] ZINC000135516186 344382201 /nfs/dbraw/zinc/38/22/01/344382201.db2.gz ZOUCHANEDGBYOG-UHFFFAOYSA-N 1 2 292.335 2.358 20 5 CEBDLO O=[N+]([O-])c1ccc(C[NH+]2CC(C(F)F)C2)c(F)c1 ZINC000590968864 345206949 /nfs/dbraw/zinc/20/69/49/345206949.db2.gz FVDKXDGBUNMGSG-UHFFFAOYSA-N 1 2 260.215 2.431 20 5 CEBDLO C[C@H](CO)C1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000593084051 345435257 /nfs/dbraw/zinc/43/52/57/345435257.db2.gz PKPDSVAZXVNURN-LLVKDONJSA-N 1 2 294.351 2.141 20 5 CEBDLO C[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)c2ncnn21 ZINC000594957446 345716419 /nfs/dbraw/zinc/71/64/19/345716419.db2.gz PCMICIJDIHSCIK-UFBFGSQYSA-N 1 2 291.286 2.121 20 5 CEBDLO COc1cc(CN(C)Cc2[nH]cc[nH+]2)c([N+](=O)[O-])cc1F ZINC000595399509 345774760 /nfs/dbraw/zinc/77/47/60/345774760.db2.gz LWKPJZSVGGTQQS-UHFFFAOYSA-N 1 2 294.286 2.098 20 5 CEBDLO Cc1noc(C[NH2+][C@H](CO)c2ccccc2C)c1[N+](=O)[O-] ZINC000595429708 345780864 /nfs/dbraw/zinc/78/08/64/345780864.db2.gz IYDWWIZSNDDQSA-GFCCVEGCSA-N 1 2 291.307 2.023 20 5 CEBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1F ZINC000596428826 346021495 /nfs/dbraw/zinc/02/14/95/346021495.db2.gz IKPOHLNATXYGCX-MNOVXSKESA-N 1 2 297.330 2.255 20 5 CEBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1ccc([N+](=O)[O-])cc1F ZINC000596428826 346021498 /nfs/dbraw/zinc/02/14/98/346021498.db2.gz IKPOHLNATXYGCX-MNOVXSKESA-N 1 2 297.330 2.255 20 5 CEBDLO CCC[C@@]1([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])CCOC1 ZINC000339193824 215004161 /nfs/dbraw/zinc/00/41/61/215004161.db2.gz MUIVSONPKQEQEY-CQSZACIVSA-N 1 2 280.324 2.349 20 5 CEBDLO Cc1ccc(C[N@@H+]2CCc3nccnc3C2)cc1[N+](=O)[O-] ZINC000597234844 346157543 /nfs/dbraw/zinc/15/75/43/346157543.db2.gz BXMFVBCKKUPCLE-UHFFFAOYSA-N 1 2 284.319 2.252 20 5 CEBDLO Cc1ccc(C[N@H+]2CCc3nccnc3C2)cc1[N+](=O)[O-] ZINC000597234844 346157546 /nfs/dbraw/zinc/15/75/46/346157546.db2.gz BXMFVBCKKUPCLE-UHFFFAOYSA-N 1 2 284.319 2.252 20 5 CEBDLO CC[C@@]1(O)CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599071059 346456101 /nfs/dbraw/zinc/45/61/01/346456101.db2.gz OQBIWEXEMZIZJN-OAHLLOKOSA-N 1 2 287.319 2.494 20 5 CEBDLO CC1(C)CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@H]1O ZINC000599079812 346456505 /nfs/dbraw/zinc/45/65/05/346456505.db2.gz PKODJBKCVIKJHI-CYBMUJFWSA-N 1 2 287.319 2.350 20 5 CEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCC3COC3)c2c1 ZINC000599178747 346474381 /nfs/dbraw/zinc/47/43/81/346474381.db2.gz OKAWHKYFMAWQEA-UHFFFAOYSA-N 1 2 259.265 2.201 20 5 CEBDLO COC[C@]1(C)C[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000599694430 346569850 /nfs/dbraw/zinc/56/98/50/346569850.db2.gz UAFRTVUFPLFGPZ-DOMZBBRYSA-N 1 2 294.351 2.393 20 5 CEBDLO COC[C@]1(C)C[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000599694430 346569853 /nfs/dbraw/zinc/56/98/53/346569853.db2.gz UAFRTVUFPLFGPZ-DOMZBBRYSA-N 1 2 294.351 2.393 20 5 CEBDLO CCc1nocc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000339236497 215032446 /nfs/dbraw/zinc/03/24/46/215032446.db2.gz IJBSNXRPIOWSEI-UHFFFAOYSA-N 1 2 291.307 2.444 20 5 CEBDLO O=[N+]([O-])c1sc(C[NH2+]CCF)cc1Br ZINC000602646609 347122200 /nfs/dbraw/zinc/12/22/00/347122200.db2.gz QAENMKCRQDTTKR-UHFFFAOYSA-N 1 2 283.122 2.478 20 5 CEBDLO CC[C@]1(O)CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000602740965 347180755 /nfs/dbraw/zinc/18/07/55/347180755.db2.gz SOEQTBSGEUZESR-AWEZNQCLSA-N 1 2 280.324 2.037 20 5 CEBDLO CC[C@]1(O)CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000602740965 347180758 /nfs/dbraw/zinc/18/07/58/347180758.db2.gz SOEQTBSGEUZESR-AWEZNQCLSA-N 1 2 280.324 2.037 20 5 CEBDLO C[C@@H]1[C@@H](C)[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C(=O)N1C ZINC000602845830 347222493 /nfs/dbraw/zinc/22/24/93/347222493.db2.gz CFOYAYMMXIOOLX-UTUOFQBUSA-N 1 2 291.351 2.034 20 5 CEBDLO C[C@@H]1[C@@H](C)[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C(=O)N1C ZINC000602845830 347222496 /nfs/dbraw/zinc/22/24/96/347222496.db2.gz CFOYAYMMXIOOLX-UTUOFQBUSA-N 1 2 291.351 2.034 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@H]2CCC[C@H]21 ZINC000610762782 347713039 /nfs/dbraw/zinc/71/30/39/347713039.db2.gz UZHQNUFCVIMSIE-VXGBXAGGSA-N 1 2 289.335 2.326 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@H]2CCC[C@H]21 ZINC000610762782 347713040 /nfs/dbraw/zinc/71/30/40/347713040.db2.gz UZHQNUFCVIMSIE-VXGBXAGGSA-N 1 2 289.335 2.326 20 5 CEBDLO COc1ccc(NCc2ccc([N+](=O)[O-])cc2F)[nH+]c1 ZINC000611491575 347784838 /nfs/dbraw/zinc/78/48/38/347784838.db2.gz SAZXBWAHKCHMAA-UHFFFAOYSA-N 1 2 277.255 2.172 20 5 CEBDLO C[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H](C2CC2)O1 ZINC000619431544 349179299 /nfs/dbraw/zinc/17/92/99/349179299.db2.gz TYSNLOCFWWAWQV-BMIGLBTASA-N 1 2 292.335 2.300 20 5 CEBDLO C[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H](C2CC2)O1 ZINC000619431544 349179301 /nfs/dbraw/zinc/17/93/01/349179301.db2.gz TYSNLOCFWWAWQV-BMIGLBTASA-N 1 2 292.335 2.300 20 5 CEBDLO O=[N+]([O-])c1cccc2c1cc[nH+]c2N1CCCCN1 ZINC000450523594 282647573 /nfs/dbraw/zinc/64/75/73/282647573.db2.gz IIIKHCXNEQUUKG-UHFFFAOYSA-N 1 2 258.281 2.248 20 5 CEBDLO Nc1cccc([N+](=O)[O-])c1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000619578494 349202422 /nfs/dbraw/zinc/20/24/22/349202422.db2.gz MKBSHYPPPXZOIN-UHFFFAOYSA-N 1 2 297.274 2.077 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCCO[C@@H](CF)C2)c(F)c1 ZINC000411862962 233292028 /nfs/dbraw/zinc/29/20/28/233292028.db2.gz SLDBVTUEJJFSPI-LBPRGKRZSA-N 1 2 286.278 2.294 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCCO[C@@H](CF)C2)c(F)c1 ZINC000411862962 233292029 /nfs/dbraw/zinc/29/20/29/233292029.db2.gz SLDBVTUEJJFSPI-LBPRGKRZSA-N 1 2 286.278 2.294 20 5 CEBDLO Cc1nnc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])n1C ZINC000292259113 198220628 /nfs/dbraw/zinc/22/06/28/198220628.db2.gz YLPWKHUJUODYJD-UHFFFAOYSA-N 1 2 289.339 2.057 20 5 CEBDLO Cc1cc(NCCNc2cccc[nH+]2)ncc1[N+](=O)[O-] ZINC000074726596 363376843 /nfs/dbraw/zinc/37/68/43/363376843.db2.gz AUWAYZRGNMXJHU-UHFFFAOYSA-N 1 2 273.296 2.217 20 5 CEBDLO CN(Cc1ccc(N)[nH+]c1)c1ccccc1[N+](=O)[O-] ZINC000135985714 366488058 /nfs/dbraw/zinc/48/80/58/366488058.db2.gz BPCXMYDIJWWFJY-UHFFFAOYSA-N 1 2 258.281 2.208 20 5 CEBDLO CC(C)[N@H+](Cc1cn(C)nn1)Cc1ccc([N+](=O)[O-])cc1 ZINC000341589527 216025095 /nfs/dbraw/zinc/02/50/95/216025095.db2.gz URNOJEWAIHWWST-UHFFFAOYSA-N 1 2 289.339 2.134 20 5 CEBDLO CC(C)[N@@H+](Cc1cn(C)nn1)Cc1ccc([N+](=O)[O-])cc1 ZINC000341589527 216025098 /nfs/dbraw/zinc/02/50/98/216025098.db2.gz URNOJEWAIHWWST-UHFFFAOYSA-N 1 2 289.339 2.134 20 5 CEBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCCC[C@@H]1O ZINC000339100011 366653823 /nfs/dbraw/zinc/65/38/23/366653823.db2.gz SZDKDROVSDYLPU-KGLIPLIRSA-N 1 2 280.324 2.036 20 5 CEBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCCC[C@@H]1O ZINC000339100011 366653833 /nfs/dbraw/zinc/65/38/33/366653833.db2.gz SZDKDROVSDYLPU-KGLIPLIRSA-N 1 2 280.324 2.036 20 5 CEBDLO Cc1ccc2[nH+]c(CNc3ncc([N+](=O)[O-])cc3C)cn2c1 ZINC000341929378 216155549 /nfs/dbraw/zinc/15/55/49/216155549.db2.gz APVSWYMCBAYWQV-UHFFFAOYSA-N 1 2 297.318 2.288 20 5 CEBDLO O=[N+]([O-])c1cnn(CCNc2ccc3ccccc3[nH+]2)c1 ZINC000301698689 201147523 /nfs/dbraw/zinc/14/75/23/201147523.db2.gz CJOBGUGZTAEAAK-UHFFFAOYSA-N 1 2 283.291 2.452 20 5 CEBDLO Cc1cc(N[C@@H]2CCN(c3cccc[nH+]3)C2)ncc1[N+](=O)[O-] ZINC000301779605 201192551 /nfs/dbraw/zinc/19/25/51/201192551.db2.gz QSTRYBKCFPVQMP-GFCCVEGCSA-N 1 2 299.334 2.384 20 5 CEBDLO O=[N+]([O-])c1ccc(NCCn2cc[nH+]c2)c2ccncc21 ZINC000025673647 361629564 /nfs/dbraw/zinc/62/95/64/361629564.db2.gz UEGGYPOWKBNBAX-UHFFFAOYSA-N 1 2 283.291 2.452 20 5 CEBDLO CCn1cc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC000093338253 364167534 /nfs/dbraw/zinc/16/75/34/364167534.db2.gz NFSDMSWQGQGRQC-UHFFFAOYSA-N 1 2 286.335 2.370 20 5 CEBDLO CCn1cc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC000093338253 364167541 /nfs/dbraw/zinc/16/75/41/364167541.db2.gz NFSDMSWQGQGRQC-UHFFFAOYSA-N 1 2 286.335 2.370 20 5 CEBDLO CC(C)NC(=O)C[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000120244821 365395714 /nfs/dbraw/zinc/39/57/14/365395714.db2.gz NXZDUTOTSZKBGA-SOFGYWHQSA-N 1 2 291.351 2.064 20 5 CEBDLO CC(C)NC(=O)C[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000120244821 365395721 /nfs/dbraw/zinc/39/57/21/365395721.db2.gz NXZDUTOTSZKBGA-SOFGYWHQSA-N 1 2 291.351 2.064 20 5 CEBDLO CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000166089115 367317452 /nfs/dbraw/zinc/31/74/52/367317452.db2.gz JVTDLSPJIVMLDL-LLVKDONJSA-N 1 2 293.323 2.113 20 5 CEBDLO CC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000166089115 367317461 /nfs/dbraw/zinc/31/74/61/367317461.db2.gz JVTDLSPJIVMLDL-LLVKDONJSA-N 1 2 293.323 2.113 20 5 CEBDLO Cc1[nH]c2ccc(Cn3nccc3[N+](=O)[O-])cc2[nH+]1 ZINC000342662553 367473912 /nfs/dbraw/zinc/47/39/12/367473912.db2.gz MCCXGWRJIBBRCH-UHFFFAOYSA-N 1 2 257.253 2.024 20 5 CEBDLO Cc1[nH]c2cc(Cn3nccc3[N+](=O)[O-])ccc2[nH+]1 ZINC000342662553 367473914 /nfs/dbraw/zinc/47/39/14/367473914.db2.gz MCCXGWRJIBBRCH-UHFFFAOYSA-N 1 2 257.253 2.024 20 5 CEBDLO O=C(NCc1cccc([N+](=O)[O-])c1)c1ccc2[nH+]ccn2c1 ZINC000171163262 367490556 /nfs/dbraw/zinc/49/05/56/367490556.db2.gz AOKYRYSLSMEQCC-UHFFFAOYSA-N 1 2 296.286 2.173 20 5 CEBDLO COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000274986786 284175574 /nfs/dbraw/zinc/17/55/74/284175574.db2.gz NGVRUWNPDUBJLA-RISCZKNCSA-N 1 2 292.335 2.368 20 5 CEBDLO COC(=O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000274986786 284175578 /nfs/dbraw/zinc/17/55/78/284175578.db2.gz NGVRUWNPDUBJLA-RISCZKNCSA-N 1 2 292.335 2.368 20 5 CEBDLO O=[N+]([O-])c1cnc(NCc2ccn3cc[nH+]c3c2)s1 ZINC000192492404 369820441 /nfs/dbraw/zinc/82/04/41/369820441.db2.gz XOZIDMTYSKTHRE-UHFFFAOYSA-N 1 2 275.293 2.311 20 5 CEBDLO Cc1nn(Cc2[nH+]ccn2C(C)C)c(C)c1[N+](=O)[O-] ZINC000195516473 370135260 /nfs/dbraw/zinc/13/52/60/370135260.db2.gz VTXSTBZJBMUAAO-UHFFFAOYSA-N 1 2 263.301 2.234 20 5 CEBDLO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)CO1 ZINC000247939343 371148977 /nfs/dbraw/zinc/14/89/77/371148977.db2.gz FWEFSZRNSQVMRV-QWRGUYRKSA-N 1 2 250.298 2.204 20 5 CEBDLO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)CO1 ZINC000247939343 371148982 /nfs/dbraw/zinc/14/89/82/371148982.db2.gz FWEFSZRNSQVMRV-QWRGUYRKSA-N 1 2 250.298 2.204 20 5 CEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)[C@H]1CCc2ccccc21 ZINC000331712971 204097473 /nfs/dbraw/zinc/09/74/73/204097473.db2.gz GLBRBYDOMOFLMU-ZDUSSCGKSA-N 1 2 286.335 2.448 20 5 CEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)[C@H]1CCc2ccccc21 ZINC000331712971 204097477 /nfs/dbraw/zinc/09/74/77/204097477.db2.gz GLBRBYDOMOFLMU-ZDUSSCGKSA-N 1 2 286.335 2.448 20 5 CEBDLO CCn1ncnc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000359072353 371326965 /nfs/dbraw/zinc/32/69/65/371326965.db2.gz RQAPGKAAMNJSDH-LLVKDONJSA-N 1 2 289.339 2.365 20 5 CEBDLO C[C@H]1CCN(c2ccncc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000361059296 371626788 /nfs/dbraw/zinc/62/67/88/371626788.db2.gz SFSHCMVIUOXVDF-FZMZJTMJSA-N 1 2 287.323 2.274 20 5 CEBDLO Cn1c[nH+]cc1COc1c(F)cccc1[N+](=O)[O-] ZINC000361756542 372058204 /nfs/dbraw/zinc/05/82/04/372058204.db2.gz NRSMDFMEUUWUNE-UHFFFAOYSA-N 1 2 251.217 2.046 20 5 CEBDLO CC[C@@H]1C[N@H+](CCNc2ccccc2[N+](=O)[O-])CCO1 ZINC000362665255 372478813 /nfs/dbraw/zinc/47/88/13/372478813.db2.gz OFUGVGUZGCXMBP-GFCCVEGCSA-N 1 2 279.340 2.118 20 5 CEBDLO CC[C@@H]1C[N@@H+](CCNc2ccccc2[N+](=O)[O-])CCO1 ZINC000362665255 372478821 /nfs/dbraw/zinc/47/88/21/372478821.db2.gz OFUGVGUZGCXMBP-GFCCVEGCSA-N 1 2 279.340 2.118 20 5 CEBDLO COc1cc(C[N@@H+]2CCO[C@@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000362566035 372429963 /nfs/dbraw/zinc/42/99/63/372429963.db2.gz DXYXGIFXHLIRCU-OAHLLOKOSA-N 1 2 292.335 2.214 20 5 CEBDLO COc1cc(C[N@H+]2CCO[C@@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000362566035 372429968 /nfs/dbraw/zinc/42/99/68/372429968.db2.gz DXYXGIFXHLIRCU-OAHLLOKOSA-N 1 2 292.335 2.214 20 5 CEBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC(F)(F)CO ZINC000344784103 217311525 /nfs/dbraw/zinc/31/15/25/217311525.db2.gz KXRLCPGVIAMAIL-YHYXMXQVSA-N 1 2 286.278 2.215 20 5 CEBDLO CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])c2C1 ZINC000368910039 373291413 /nfs/dbraw/zinc/29/14/13/373291413.db2.gz NLUNETLBAZPZRD-BXUZGUMPSA-N 1 2 289.335 2.016 20 5 CEBDLO CCC[N@H+]1Cc2cccc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])c2C1 ZINC000368910039 373291424 /nfs/dbraw/zinc/29/14/24/373291424.db2.gz NLUNETLBAZPZRD-BXUZGUMPSA-N 1 2 289.335 2.016 20 5 CEBDLO COc1ccncc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000353614933 220192473 /nfs/dbraw/zinc/19/24/73/220192473.db2.gz UTFALGCYADZDLD-UHFFFAOYSA-N 1 2 291.282 2.427 20 5 CEBDLO CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1[nH]cc[nH+]1 ZINC000276714751 374276435 /nfs/dbraw/zinc/27/64/35/374276435.db2.gz ZXXMLBVWHCXQPH-GFCCVEGCSA-N 1 2 288.307 2.445 20 5 CEBDLO CC[C@H](Nc1c([N+](=O)[O-])nc(C)n1CC)c1[nH]cc[nH+]1 ZINC000313734222 376752142 /nfs/dbraw/zinc/75/21/42/376752142.db2.gz YXSKFFLRKVYSDA-VIFPVBQESA-N 1 2 278.316 2.406 20 5 CEBDLO C[C@@H]1[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCOC1(C)C ZINC000330457995 377141866 /nfs/dbraw/zinc/14/18/66/377141866.db2.gz RDZIURSGXKTYNZ-JTQLQIEISA-N 1 2 280.324 2.300 20 5 CEBDLO C[C@@H]1[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCOC1(C)C ZINC000330457995 377141872 /nfs/dbraw/zinc/14/18/72/377141872.db2.gz RDZIURSGXKTYNZ-JTQLQIEISA-N 1 2 280.324 2.300 20 5 CEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000331052404 377258755 /nfs/dbraw/zinc/25/87/55/377258755.db2.gz IXVABHPQBKJOGE-QMMMGPOBSA-N 1 2 292.261 2.103 20 5 CEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000331052404 377258760 /nfs/dbraw/zinc/25/87/60/377258760.db2.gz IXVABHPQBKJOGE-QMMMGPOBSA-N 1 2 292.261 2.103 20 5 CEBDLO CO[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000332216704 377543749 /nfs/dbraw/zinc/54/37/49/377543749.db2.gz HVHDMYWRYZMVQA-NSHDSACASA-N 1 2 290.323 2.082 20 5 CEBDLO CO[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000332216704 377543752 /nfs/dbraw/zinc/54/37/52/377543752.db2.gz HVHDMYWRYZMVQA-NSHDSACASA-N 1 2 290.323 2.082 20 5 CEBDLO Cc1nn(Cc2c[nH+]cn2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000438325030 377896244 /nfs/dbraw/zinc/89/62/44/377896244.db2.gz YPTWJWQBSNSWMF-UHFFFAOYSA-N 1 2 297.318 2.393 20 5 CEBDLO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)c2[nH+]ccn21 ZINC000456407558 379429537 /nfs/dbraw/zinc/42/95/37/379429537.db2.gz YSHZMRDRYZLTJV-JGVFFNPUSA-N 1 2 292.320 2.289 20 5 CEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCSCC2)c(F)c1 ZINC000267010376 190296737 /nfs/dbraw/zinc/29/67/37/190296737.db2.gz HIECLVLBWFNORQ-UHFFFAOYSA-N 1 2 256.302 2.283 20 5 CEBDLO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCc3cn[nH]c3C2)c(F)c1 ZINC000350313170 219006016 /nfs/dbraw/zinc/00/60/16/219006016.db2.gz YANQXUCNANVNEY-LLVKDONJSA-N 1 2 290.298 2.104 20 5 CEBDLO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000421034017 394474848 /nfs/dbraw/zinc/47/48/48/394474848.db2.gz YDDHHDOBKLSQIH-SCZZXKLOSA-N 1 2 286.278 2.218 20 5 CEBDLO C[C@@H]1CC[C@H](O)C[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000421034017 394474851 /nfs/dbraw/zinc/47/48/51/394474851.db2.gz YDDHHDOBKLSQIH-SCZZXKLOSA-N 1 2 286.278 2.218 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(NCc2ccc(N(C)C)[nH+]c2)n1 ZINC000269017840 394707721 /nfs/dbraw/zinc/70/77/21/394707721.db2.gz OYLYXIQWQLFBBJ-UHFFFAOYSA-N 1 2 287.323 2.371 20 5 CEBDLO NCC(F)(F)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423343509 394893626 /nfs/dbraw/zinc/89/36/26/394893626.db2.gz LXMOAABIYCKODX-LBPRGKRZSA-N 1 2 299.321 2.100 20 5 CEBDLO Cn1ccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])n1 ZINC000291782715 395158169 /nfs/dbraw/zinc/15/81/69/395158169.db2.gz VBMNNIKQZKEWIZ-UHFFFAOYSA-N 1 2 274.324 2.353 20 5 CEBDLO O=[N+]([O-])c1ccc(CNc2cccc(CO)[nH+]2)c(F)c1 ZINC000432738461 395177310 /nfs/dbraw/zinc/17/73/10/395177310.db2.gz JZMWTSNKMITWCK-UHFFFAOYSA-N 1 2 277.255 2.233 20 5 CEBDLO CCOC(=O)C[N@H+](C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182721341 395248477 /nfs/dbraw/zinc/24/84/77/395248477.db2.gz DNYDOHPSJCTNTN-NSHDSACASA-N 1 2 280.324 2.459 20 5 CEBDLO CCOC(=O)C[N@@H+](C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182721341 395248481 /nfs/dbraw/zinc/24/84/81/395248481.db2.gz DNYDOHPSJCTNTN-NSHDSACASA-N 1 2 280.324 2.459 20 5 CEBDLO CN(Cc1[nH]cc[nH+]1)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000434958098 395340188 /nfs/dbraw/zinc/34/01/88/395340188.db2.gz CEOTVVVGSSRXKO-UHFFFAOYSA-N 1 2 267.676 2.003 20 5 CEBDLO CCc1nn(C)c(NCCc2cccc(C)[nH+]2)c1[N+](=O)[O-] ZINC000359840653 155149136 /nfs/dbraw/zinc/14/91/36/155149136.db2.gz SORLRUCNADMAFL-UHFFFAOYSA-N 1 2 289.339 2.249 20 5 CEBDLO CO[C@H]1C[C@@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C1(C)C ZINC000344695911 286100787 /nfs/dbraw/zinc/10/07/87/286100787.db2.gz MZGASHCCLHKELN-OLZOCXBDSA-N 1 2 280.324 2.204 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@]12CCOC2=O ZINC000190030114 153116565 /nfs/dbraw/zinc/11/65/65/153116565.db2.gz CWOSABLGLPMYLB-OAHLLOKOSA-N 1 2 290.319 2.185 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@]12CCOC2=O ZINC000190030114 153116567 /nfs/dbraw/zinc/11/65/67/153116567.db2.gz CWOSABLGLPMYLB-OAHLLOKOSA-N 1 2 290.319 2.185 20 5 CEBDLO COc1cc(C[N@@H+]2CCOC[C@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000352777595 154337756 /nfs/dbraw/zinc/33/77/56/154337756.db2.gz HNJDINROLYPBDX-AWEZNQCLSA-N 1 2 292.335 2.214 20 5 CEBDLO COc1cc(C[N@H+]2CCOC[C@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000352777595 154337760 /nfs/dbraw/zinc/33/77/60/154337760.db2.gz HNJDINROLYPBDX-AWEZNQCLSA-N 1 2 292.335 2.214 20 5 CEBDLO CCOC(=O)[C@@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285301596 196245362 /nfs/dbraw/zinc/24/53/62/196245362.db2.gz LERHNBQVOBUPEE-LLVKDONJSA-N 1 2 280.324 2.021 20 5 CEBDLO CCOC(=O)[C@@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285301596 196245364 /nfs/dbraw/zinc/24/53/64/196245364.db2.gz LERHNBQVOBUPEE-LLVKDONJSA-N 1 2 280.324 2.021 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000430213328 271363527 /nfs/dbraw/zinc/36/35/27/271363527.db2.gz BIAMLMCKBMOOEP-HNNXBMFYSA-N 1 2 294.351 2.460 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@H](C(C)C)C1 ZINC000430213328 271363529 /nfs/dbraw/zinc/36/35/29/271363529.db2.gz BIAMLMCKBMOOEP-HNNXBMFYSA-N 1 2 294.351 2.460 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(N2CCn3c[nH+]cc3C2)c1 ZINC000290567457 278864845 /nfs/dbraw/zinc/86/48/45/278864845.db2.gz AWEKEUZYTSTGSF-UHFFFAOYSA-N 1 2 258.281 2.120 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(NCC[N@@H+]2CCO[C@H](C)C2)c1 ZINC000532296882 298138775 /nfs/dbraw/zinc/13/87/75/298138775.db2.gz RLVSXDGXKWQDMQ-GFCCVEGCSA-N 1 2 279.340 2.036 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(NCC[N@H+]2CCO[C@H](C)C2)c1 ZINC000532296882 298138777 /nfs/dbraw/zinc/13/87/77/298138777.db2.gz RLVSXDGXKWQDMQ-GFCCVEGCSA-N 1 2 279.340 2.036 20 5 CEBDLO O=[N+]([O-])c1ccccc1OCC[NH+]1CC(C(F)(F)F)C1 ZINC000582692645 322494922 /nfs/dbraw/zinc/49/49/22/322494922.db2.gz HHHAWPSLSDYAKO-UHFFFAOYSA-N 1 2 290.241 2.468 20 5 CEBDLO CC(C)[N@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1cccnc1 ZINC000357614441 528935691 /nfs/dbraw/zinc/93/56/91/528935691.db2.gz QQNGZNXOKJHCFF-UHFFFAOYSA-N 1 2 289.339 2.134 20 5 CEBDLO CC(C)[N@@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1cccnc1 ZINC000357614441 528935696 /nfs/dbraw/zinc/93/56/96/528935696.db2.gz QQNGZNXOKJHCFF-UHFFFAOYSA-N 1 2 289.339 2.134 20 5 CEBDLO CCn1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)n1 ZINC000414488362 529170792 /nfs/dbraw/zinc/17/07/92/529170792.db2.gz WTHIJMGURNUUOJ-UHFFFAOYSA-N 1 2 278.287 2.240 20 5 CEBDLO COC(=O)/C(C)=C/C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000748816866 575197620 /nfs/dbraw/zinc/19/76/20/575197620.db2.gz VVPBHWDQNXZHRL-DHZHZOJOSA-N 1 2 278.308 2.146 20 5 CEBDLO COC(=O)/C(C)=C/C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000748816866 575197623 /nfs/dbraw/zinc/19/76/23/575197623.db2.gz VVPBHWDQNXZHRL-DHZHZOJOSA-N 1 2 278.308 2.146 20 5 CEBDLO O=[N+]([O-])c1ccnn1C[N@@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000176824523 625074942 /nfs/dbraw/zinc/07/49/42/625074942.db2.gz AWFBIPRIGQYNLJ-QWRGUYRKSA-N 1 2 282.369 2.109 20 5 CEBDLO O=[N+]([O-])c1ccnn1C[N@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000176824523 625074949 /nfs/dbraw/zinc/07/49/49/625074949.db2.gz AWFBIPRIGQYNLJ-QWRGUYRKSA-N 1 2 282.369 2.109 20 5 CEBDLO COc1cc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)on1 ZINC000932178766 628982938 /nfs/dbraw/zinc/98/29/38/628982938.db2.gz SUHSFAAJUVSBRO-SECBINFHSA-N 1 2 277.280 2.442 20 5 CEBDLO CCn1nncc1C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000895545876 630246009 /nfs/dbraw/zinc/24/60/09/630246009.db2.gz RQJZYWSSKZJEFO-UHFFFAOYSA-N 1 2 295.730 2.149 20 5 CEBDLO O=[N+]([O-])CC[NH2+]Cc1nc2cc(Cl)ccc2s1 ZINC000899875357 633068617 /nfs/dbraw/zinc/06/86/17/633068617.db2.gz FYHQSUBEMFCEIL-UHFFFAOYSA-N 1 2 271.729 2.316 20 5 CEBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC=C(Cl)C2)c1 ZINC000878792028 651186622 /nfs/dbraw/zinc/18/66/22/651186622.db2.gz MIKYSBAXUYMJAJ-CYBMUJFWSA-N 1 2 282.727 2.457 20 5 CEBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC=C(Cl)C2)c1 ZINC000878792028 651186624 /nfs/dbraw/zinc/18/66/24/651186624.db2.gz MIKYSBAXUYMJAJ-CYBMUJFWSA-N 1 2 282.727 2.457 20 5 CEBDLO CC[C@@H]([NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-])C(=O)OC ZINC000901641939 634223264 /nfs/dbraw/zinc/22/32/64/634223264.db2.gz FXQLNPCOWSTTSL-CMPLNLGQSA-N 1 2 280.324 2.240 20 5 CEBDLO CCc1noc(-c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC000904344174 635581442 /nfs/dbraw/zinc/58/14/42/635581442.db2.gz XPZDFNYGXDRJHA-UHFFFAOYSA-N 1 2 285.263 2.393 20 5 CEBDLO Cc1ccc(N2CC[N@H+](CC[N+](=O)[O-])[C@H](C)C2)cc1C ZINC000929778437 640182634 /nfs/dbraw/zinc/18/26/34/640182634.db2.gz JBPCOHDLZPDIMX-CQSZACIVSA-N 1 2 277.368 2.091 20 5 CEBDLO Cc1ccc(N2CC[N@@H+](CC[N+](=O)[O-])[C@H](C)C2)cc1C ZINC000929778437 640182635 /nfs/dbraw/zinc/18/26/35/640182635.db2.gz JBPCOHDLZPDIMX-CQSZACIVSA-N 1 2 277.368 2.091 20 5 CEBDLO Cc1nonc1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848910270 642185465 /nfs/dbraw/zinc/18/54/65/642185465.db2.gz HNEKNODQUFRROB-NSHDSACASA-N 1 2 274.280 2.063 20 5 CEBDLO O=C1CCC2=C(CC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)N1 ZINC000852300052 643384460 /nfs/dbraw/zinc/38/44/60/643384460.db2.gz IXEUYJRESGFDPK-UHFFFAOYSA-N 1 2 293.348 2.026 20 5 CEBDLO O=C1CCC2=C(CC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)N1 ZINC000852300052 643384463 /nfs/dbraw/zinc/38/44/63/643384463.db2.gz IXEUYJRESGFDPK-UHFFFAOYSA-N 1 2 293.348 2.026 20 5 CEBDLO CC1([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)COC1 ZINC000877690658 650852129 /nfs/dbraw/zinc/85/21/29/650852129.db2.gz FERNERRGQYACBT-UHFFFAOYSA-N 1 2 256.689 2.127 20 5 CEBDLO CC[C@H]1CC[N@@H+]1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853515511 643798553 /nfs/dbraw/zinc/79/85/53/643798553.db2.gz XCJYZTKXCYYDGN-NSHDSACASA-N 1 2 287.323 2.295 20 5 CEBDLO CC[C@H]1CC[N@H+]1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853515511 643798560 /nfs/dbraw/zinc/79/85/60/643798560.db2.gz XCJYZTKXCYYDGN-NSHDSACASA-N 1 2 287.323 2.295 20 5 CEBDLO Cc1cc(NCc2c[nH+]cn2C)c([N+](=O)[O-])s1 ZINC000853635974 643840202 /nfs/dbraw/zinc/84/02/02/643840202.db2.gz PLPYLOQMFOPPIM-UHFFFAOYSA-N 1 2 252.299 2.310 20 5 CEBDLO CC[C@](C)(CC(=O)OC)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000763442999 645547049 /nfs/dbraw/zinc/54/70/49/645547049.db2.gz COFAZXGIUYYZCX-CQSZACIVSA-N 1 2 296.323 2.122 20 5 CEBDLO Nc1cc(COC(=O)c2ccc([N+](=O)[O-])cc2F)cc[nH+]1 ZINC000791766257 648563912 /nfs/dbraw/zinc/56/39/12/648563912.db2.gz VENCNWYNYMYBOD-UHFFFAOYSA-N 1 2 291.238 2.068 20 5 CEBDLO CCc1nnc(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)[nH]1 ZINC000873128283 649564502 /nfs/dbraw/zinc/56/45/02/649564502.db2.gz JOKFNSSSQRSAPZ-UHFFFAOYSA-N 1 2 289.339 2.182 20 5 CEBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC=C[C@@H]1CO ZINC000880485862 651449125 /nfs/dbraw/zinc/44/91/25/651449125.db2.gz IHRDPRMJIIWFIH-CQSZACIVSA-N 1 2 292.335 2.115 20 5 CEBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC=C[C@@H]1CO ZINC000880485862 651449127 /nfs/dbraw/zinc/44/91/27/651449127.db2.gz IHRDPRMJIIWFIH-CQSZACIVSA-N 1 2 292.335 2.115 20 5 CEBDLO C[NH+](C)Cc1nnc(/C=C/c2ccc([N+](=O)[O-])cc2)o1 ZINC001117229141 814907494 /nfs/dbraw/zinc/90/74/94/814907494.db2.gz PBSSWCCXPJBBNF-VMPITWQZSA-N 1 2 274.280 2.210 20 5 CEBDLO CCOC(=O)[C@H](CC)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173218748 815624817 /nfs/dbraw/zinc/62/48/17/815624817.db2.gz LNHKBRMUPPGKNR-FZMZJTMJSA-N 1 2 294.351 2.457 20 5 CEBDLO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2nncn2C)cc1[N+](=O)[O-] ZINC000037016397 361882757 /nfs/dbraw/zinc/88/27/57/361882757.db2.gz DWZRQPNBXJRQPY-MNOVXSKESA-N 1 2 289.339 2.444 20 5 CEBDLO O=[N+]([O-])c1ccnn1Cc1[nH+]ccn1Cc1ccccc1 ZINC000128025831 365772429 /nfs/dbraw/zinc/77/24/29/365772429.db2.gz OYGCHMQSKVMNNW-UHFFFAOYSA-N 1 2 283.291 2.084 20 5 CEBDLO COc1ccc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000054342899 343588901 /nfs/dbraw/zinc/58/89/01/343588901.db2.gz COZRZSWWXHXBOU-SWLSCSKDSA-N 1 2 292.335 2.357 20 5 CEBDLO COc1ccc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000054342899 343588903 /nfs/dbraw/zinc/58/89/03/343588903.db2.gz COZRZSWWXHXBOU-SWLSCSKDSA-N 1 2 292.335 2.357 20 5 CEBDLO C[N@@H+](Cc1csc([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000056494977 343617450 /nfs/dbraw/zinc/61/74/50/343617450.db2.gz UKLBDMWPMSHNPO-SNVBAGLBSA-N 1 2 256.327 2.267 20 5 CEBDLO C[N@H+](Cc1csc([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000056494977 343617452 /nfs/dbraw/zinc/61/74/52/343617452.db2.gz UKLBDMWPMSHNPO-SNVBAGLBSA-N 1 2 256.327 2.267 20 5 CEBDLO CC1(C)CC[N@H+](Cc2ccccc2[N+](=O)[O-])CC[S@]1=O ZINC000449574177 282288735 /nfs/dbraw/zinc/28/87/35/282288735.db2.gz VTOQWVMBRSXEOF-HXUWFJFHSA-N 1 2 296.392 2.328 20 5 CEBDLO CC1(C)CC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC[S@]1=O ZINC000449574177 282288736 /nfs/dbraw/zinc/28/87/36/282288736.db2.gz VTOQWVMBRSXEOF-HXUWFJFHSA-N 1 2 296.392 2.328 20 5 CEBDLO Cc1nn(Cc2[nH+]ccn2C(F)F)c(C)c1[N+](=O)[O-] ZINC000073121680 343822264 /nfs/dbraw/zinc/82/22/64/343822264.db2.gz IIVUURLFEHIBRI-UHFFFAOYSA-N 1 2 271.227 2.048 20 5 CEBDLO CC1(C)C[C@@H](O)CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000449616266 282305286 /nfs/dbraw/zinc/30/52/86/282305286.db2.gz CLUKBXXSGQPIPE-ZDUSSCGKSA-N 1 2 294.351 2.283 20 5 CEBDLO CC1(C)C[C@@H](O)CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000449616266 282305290 /nfs/dbraw/zinc/30/52/90/282305290.db2.gz CLUKBXXSGQPIPE-ZDUSSCGKSA-N 1 2 294.351 2.283 20 5 CEBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1ccno1)CC2 ZINC000088606437 344112545 /nfs/dbraw/zinc/11/25/45/344112545.db2.gz YFEACXZSVQYZJN-UHFFFAOYSA-N 1 2 259.265 2.141 20 5 CEBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1ccno1)CC2 ZINC000088606437 344112547 /nfs/dbraw/zinc/11/25/47/344112547.db2.gz YFEACXZSVQYZJN-UHFFFAOYSA-N 1 2 259.265 2.141 20 5 CEBDLO Cn1cc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])n1 ZINC000602431742 347030640 /nfs/dbraw/zinc/03/06/40/347030640.db2.gz DRKAREJFTNDEGR-VIFPVBQESA-N 1 2 292.261 2.103 20 5 CEBDLO Cn1cc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])n1 ZINC000602431742 347030642 /nfs/dbraw/zinc/03/06/42/347030642.db2.gz DRKAREJFTNDEGR-VIFPVBQESA-N 1 2 292.261 2.103 20 5 CEBDLO Cc1cccc(C[N@@H+](C)Cc2cn(C)nc2[N+](=O)[O-])c1 ZINC000602442043 347034719 /nfs/dbraw/zinc/03/47/19/347034719.db2.gz RQNDEJBUBXZWMK-UHFFFAOYSA-N 1 2 274.324 2.269 20 5 CEBDLO Cc1cccc(C[N@H+](C)Cc2cn(C)nc2[N+](=O)[O-])c1 ZINC000602442043 347034721 /nfs/dbraw/zinc/03/47/21/347034721.db2.gz RQNDEJBUBXZWMK-UHFFFAOYSA-N 1 2 274.324 2.269 20 5 CEBDLO Cn1cc(C[N@@H+]2CC[C@@H]2c2cccc(F)c2)c([N+](=O)[O-])n1 ZINC000602483041 347053991 /nfs/dbraw/zinc/05/39/91/347053991.db2.gz IHFORMRYIWPXRW-CYBMUJFWSA-N 1 2 290.298 2.414 20 5 CEBDLO Cn1cc(C[N@H+]2CC[C@@H]2c2cccc(F)c2)c([N+](=O)[O-])n1 ZINC000602483041 347053995 /nfs/dbraw/zinc/05/39/95/347053995.db2.gz IHFORMRYIWPXRW-CYBMUJFWSA-N 1 2 290.298 2.414 20 5 CEBDLO O=C(CC[C@H]1CCC[NH2+]C1)Nc1cc([N+](=O)[O-])ccc1O ZINC000236581171 344596576 /nfs/dbraw/zinc/59/65/76/344596576.db2.gz NEEJXMSUJFKYPL-SNVBAGLBSA-N 1 2 293.323 2.019 20 5 CEBDLO Cc1ccc(C[NH2+][C@H]2C[C@H](C)n3ncnc32)cc1[N+](=O)[O-] ZINC000594957425 345716691 /nfs/dbraw/zinc/71/66/91/345716691.db2.gz OQBGRVIZFNJDJV-JQWIXIFHSA-N 1 2 287.323 2.290 20 5 CEBDLO Cn1cnc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000595357728 345768313 /nfs/dbraw/zinc/76/83/13/345768313.db2.gz XBMXMQVXRUNWHP-UHFFFAOYSA-N 1 2 286.335 2.493 20 5 CEBDLO Cn1cnc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000595357728 345768317 /nfs/dbraw/zinc/76/83/17/345768317.db2.gz XBMXMQVXRUNWHP-UHFFFAOYSA-N 1 2 286.335 2.493 20 5 CEBDLO Cn1c[nH+]c(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000595357728 345768319 /nfs/dbraw/zinc/76/83/19/345768319.db2.gz XBMXMQVXRUNWHP-UHFFFAOYSA-N 1 2 286.335 2.493 20 5 CEBDLO Cn1c[nH+]c(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000595388799 345771994 /nfs/dbraw/zinc/77/19/94/345771994.db2.gz WVPSUSRCPXPFDQ-UHFFFAOYSA-N 1 2 286.335 2.493 20 5 CEBDLO COCC[C@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])c1ccco1 ZINC000595430366 345780853 /nfs/dbraw/zinc/78/08/53/345780853.db2.gz JLVIIENVKFTWPO-JTQLQIEISA-N 1 2 295.295 2.352 20 5 CEBDLO C[C@@H]1C[NH+](CCOc2ccccc2[N+](=O)[O-])C[C@@H](C)C1=O ZINC000595713677 345858023 /nfs/dbraw/zinc/85/80/23/345858023.db2.gz MBDGXWFVLVBOIG-VXGBXAGGSA-N 1 2 292.335 2.131 20 5 CEBDLO CC(C)Cn1cc[nH+]c1CNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596146068 345951702 /nfs/dbraw/zinc/95/17/02/345951702.db2.gz KWMLWTVMJNVFLC-UHFFFAOYSA-N 1 2 291.311 2.160 20 5 CEBDLO Cc1cnc(N[C@H](C)c2[nH+]ccn2C)c([N+](=O)[O-])c1 ZINC000596545315 346051635 /nfs/dbraw/zinc/05/16/35/346051635.db2.gz XLCJNKANYVZRTF-SECBINFHSA-N 1 2 261.285 2.205 20 5 CEBDLO CCOC[C@@H]1C[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000599618830 346547322 /nfs/dbraw/zinc/54/73/22/346547322.db2.gz NPRRLASBRPOJNG-DOMZBBRYSA-N 1 2 294.351 2.393 20 5 CEBDLO CCOC[C@@H]1C[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000599618830 346547325 /nfs/dbraw/zinc/54/73/25/346547325.db2.gz NPRRLASBRPOJNG-DOMZBBRYSA-N 1 2 294.351 2.393 20 5 CEBDLO C[C@H]1COCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000351756228 219197758 /nfs/dbraw/zinc/19/77/58/219197758.db2.gz KJAATKLPNMLWCO-SECBINFHSA-N 1 2 286.278 2.341 20 5 CEBDLO C[C@H]1COCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000351756228 219197762 /nfs/dbraw/zinc/19/77/62/219197762.db2.gz KJAATKLPNMLWCO-SECBINFHSA-N 1 2 286.278 2.341 20 5 CEBDLO Cc1cc(N2CCC(n3cc[nH+]c3)CC2)ncc1[N+](=O)[O-] ZINC000266868000 136602196 /nfs/dbraw/zinc/60/21/96/136602196.db2.gz ZJEXOOKHFYDXIC-UHFFFAOYSA-N 1 2 287.323 2.336 20 5 CEBDLO Cc1cc([N+](=O)[O-])cnc1NCC(C)(C)n1cc[nH+]c1 ZINC000601198608 346785287 /nfs/dbraw/zinc/78/52/87/346785287.db2.gz YVYPCXDPYRYEPT-UHFFFAOYSA-N 1 2 275.312 2.342 20 5 CEBDLO C[C@@H]1[C@H](C)[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C(=O)N1C ZINC000602845831 347222478 /nfs/dbraw/zinc/22/24/78/347222478.db2.gz CFOYAYMMXIOOLX-WOPDTQHZSA-N 1 2 291.351 2.034 20 5 CEBDLO C[C@@H]1[C@H](C)[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C(=O)N1C ZINC000602845831 347222481 /nfs/dbraw/zinc/22/24/81/347222481.db2.gz CFOYAYMMXIOOLX-WOPDTQHZSA-N 1 2 291.351 2.034 20 5 CEBDLO CC1(C)[C@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])[C@H]2CCO[C@H]21 ZINC000610787942 347714982 /nfs/dbraw/zinc/71/49/82/347714982.db2.gz RJNRHXSITFIJCG-MRVWCRGKSA-N 1 2 292.335 2.204 20 5 CEBDLO COc1cc(C[N@@H+]2C[C@@H](C)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000351978569 219273615 /nfs/dbraw/zinc/27/36/15/219273615.db2.gz WDIRBDYUVCDLIC-GHMZBOCLSA-N 1 2 280.324 2.213 20 5 CEBDLO COc1cc(C[N@H+]2C[C@@H](C)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000351978569 219273617 /nfs/dbraw/zinc/27/36/17/219273617.db2.gz WDIRBDYUVCDLIC-GHMZBOCLSA-N 1 2 280.324 2.213 20 5 CEBDLO COc1cc(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)ccc1[N+](=O)[O-] ZINC000351984924 219274401 /nfs/dbraw/zinc/27/44/01/219274401.db2.gz OVYNVQGVAPUMBC-TZMCWYRMSA-N 1 2 292.335 2.357 20 5 CEBDLO COc1cc(C[N@H+]2CCO[C@@H]3CCC[C@H]32)ccc1[N+](=O)[O-] ZINC000351984924 219274402 /nfs/dbraw/zinc/27/44/02/219274402.db2.gz OVYNVQGVAPUMBC-TZMCWYRMSA-N 1 2 292.335 2.357 20 5 CEBDLO COc1cc(C[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000351983280 219273989 /nfs/dbraw/zinc/27/39/89/219273989.db2.gz HMKLPHGUMZDZFR-QWRGUYRKSA-N 1 2 280.324 2.213 20 5 CEBDLO COc1cc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000351984920 219275686 /nfs/dbraw/zinc/27/56/86/219275686.db2.gz OVYNVQGVAPUMBC-JSGCOSHPSA-N 1 2 292.335 2.357 20 5 CEBDLO COc1cc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000351984920 219275688 /nfs/dbraw/zinc/27/56/88/219275688.db2.gz OVYNVQGVAPUMBC-JSGCOSHPSA-N 1 2 292.335 2.357 20 5 CEBDLO Cn1cc[nH+]c1[C@H]1N(c2ccc([N+](=O)[O-])nc2)CC1(C)C ZINC000450645793 282702506 /nfs/dbraw/zinc/70/25/06/282702506.db2.gz MJTOYRUDYMMEHR-GFCCVEGCSA-N 1 2 287.323 2.311 20 5 CEBDLO CCC[C@](C)([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000109801419 186273266 /nfs/dbraw/zinc/27/32/66/186273266.db2.gz HIGCYDZIALEXAV-HNNXBMFYSA-N 1 2 294.351 2.459 20 5 CEBDLO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cn2)c2[nH+]ccn21 ZINC000450828822 282790129 /nfs/dbraw/zinc/79/01/29/282790129.db2.gz LEUXECGTQDTICU-PSASIEDQSA-N 1 2 259.269 2.304 20 5 CEBDLO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000156190128 188247902 /nfs/dbraw/zinc/24/79/02/188247902.db2.gz HSSVGCOQNMOCMH-MNOVXSKESA-N 1 2 250.298 2.204 20 5 CEBDLO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000156190128 188247903 /nfs/dbraw/zinc/24/79/03/188247903.db2.gz HSSVGCOQNMOCMH-MNOVXSKESA-N 1 2 250.298 2.204 20 5 CEBDLO CCn1cc[nH+]c1CNc1nc(C)ccc1[N+](=O)[O-] ZINC000294888386 199232769 /nfs/dbraw/zinc/23/27/69/199232769.db2.gz CTAHQMTZHZALKQ-UHFFFAOYSA-N 1 2 261.285 2.127 20 5 CEBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCOCC12CCC2 ZINC000135516354 366451384 /nfs/dbraw/zinc/45/13/84/366451384.db2.gz BJSVMUQNCBUNFL-UHFFFAOYSA-N 1 2 292.335 2.229 20 5 CEBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCOCC12CCC2 ZINC000135516354 366451390 /nfs/dbraw/zinc/45/13/90/366451390.db2.gz BJSVMUQNCBUNFL-UHFFFAOYSA-N 1 2 292.335 2.229 20 5 CEBDLO CC(=O)c1ccc(N(C)Cc2[nH+]ccn2C)c([N+](=O)[O-])c1 ZINC000018059993 361514368 /nfs/dbraw/zinc/51/43/68/361514368.db2.gz PHVVPUONYMEOFB-UHFFFAOYSA-N 1 2 288.307 2.167 20 5 CEBDLO Cn1c[nH+]cc1CNc1ccc(F)cc1[N+](=O)[O-] ZINC000090165546 364043108 /nfs/dbraw/zinc/04/31/08/364043108.db2.gz QNHWURHJVJHUCK-UHFFFAOYSA-N 1 2 250.233 2.080 20 5 CEBDLO C[C@H](O)C[N@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000104307611 364692217 /nfs/dbraw/zinc/69/22/17/364692217.db2.gz JDNIVJXOHLLKFW-QMMMGPOBSA-N 1 2 258.705 2.061 20 5 CEBDLO C[C@H](O)C[N@@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000104307611 364692220 /nfs/dbraw/zinc/69/22/20/364692220.db2.gz JDNIVJXOHLLKFW-QMMMGPOBSA-N 1 2 258.705 2.061 20 5 CEBDLO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ncn(C)n1 ZINC000275772618 193124740 /nfs/dbraw/zinc/12/47/40/193124740.db2.gz TWBNLWYQSOJHRX-VHSXEESVSA-N 1 2 275.312 2.135 20 5 CEBDLO CC(=O)c1cc(NCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000341399248 367321489 /nfs/dbraw/zinc/32/14/89/367321489.db2.gz KAIUZBWWSGVPSI-UHFFFAOYSA-N 1 2 274.280 2.106 20 5 CEBDLO CC[N@H+](CC(N)=O)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000188060271 369286781 /nfs/dbraw/zinc/28/67/81/369286781.db2.gz IIHSMRMKTWVPAZ-UHFFFAOYSA-N 1 2 279.340 2.025 20 5 CEBDLO CC[N@@H+](CC(N)=O)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000188060271 369286784 /nfs/dbraw/zinc/28/67/84/369286784.db2.gz IIHSMRMKTWVPAZ-UHFFFAOYSA-N 1 2 279.340 2.025 20 5 CEBDLO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCCO1 ZINC000193868447 369987240 /nfs/dbraw/zinc/98/72/40/369987240.db2.gz UYHDLMAHNNJJPS-JTQLQIEISA-N 1 2 295.295 2.114 20 5 CEBDLO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCCO1 ZINC000193868447 369987247 /nfs/dbraw/zinc/98/72/47/369987247.db2.gz UYHDLMAHNNJJPS-JTQLQIEISA-N 1 2 295.295 2.114 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000248131458 371163104 /nfs/dbraw/zinc/16/31/04/371163104.db2.gz LAQGCTKKEJEHSF-MNOVXSKESA-N 1 2 280.324 2.213 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)OC[C@H]1C ZINC000248131458 371163107 /nfs/dbraw/zinc/16/31/07/371163107.db2.gz LAQGCTKKEJEHSF-MNOVXSKESA-N 1 2 280.324 2.213 20 5 CEBDLO COC[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@H](C)O1 ZINC000251903683 371422635 /nfs/dbraw/zinc/42/26/35/371422635.db2.gz RFASNLMNJOOPIM-SMDDNHRTSA-N 1 2 294.351 2.139 20 5 CEBDLO COC[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@H](C)O1 ZINC000251903683 371422637 /nfs/dbraw/zinc/42/26/37/371422637.db2.gz RFASNLMNJOOPIM-SMDDNHRTSA-N 1 2 294.351 2.139 20 5 CEBDLO Cc1noc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2C)n1 ZINC000361612840 371977857 /nfs/dbraw/zinc/97/78/57/371977857.db2.gz WAXDYJCWHIAPCF-SECBINFHSA-N 1 2 276.296 2.445 20 5 CEBDLO CC[C@H]1C[N@H+](CCNc2cc(C)ccc2[N+](=O)[O-])CCO1 ZINC000362662495 372477118 /nfs/dbraw/zinc/47/71/18/372477118.db2.gz JBAHWAUZYAUEIA-ZDUSSCGKSA-N 1 2 293.367 2.426 20 5 CEBDLO CC[C@H]1C[N@@H+](CCNc2cc(C)ccc2[N+](=O)[O-])CCO1 ZINC000362662495 372477126 /nfs/dbraw/zinc/47/71/26/372477126.db2.gz JBAHWAUZYAUEIA-ZDUSSCGKSA-N 1 2 293.367 2.426 20 5 CEBDLO C[N@@H+](Cc1nccs1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269663499 372524536 /nfs/dbraw/zinc/52/45/36/372524536.db2.gz RCKBSSXVHFJOKK-LBPRGKRZSA-N 1 2 293.348 2.217 20 5 CEBDLO C[N@H+](Cc1nccs1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269663499 372524543 /nfs/dbraw/zinc/52/45/43/372524543.db2.gz RCKBSSXVHFJOKK-LBPRGKRZSA-N 1 2 293.348 2.217 20 5 CEBDLO Cc1c(C[N@H+]2CC[S@](=O)CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000369341669 373391182 /nfs/dbraw/zinc/39/11/82/373391182.db2.gz FDRNRNNKTBZWMN-PRWKNARSSA-N 1 2 296.392 2.246 20 5 CEBDLO Cc1c(C[N@@H+]2CC[S@](=O)CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000369341669 373391191 /nfs/dbraw/zinc/39/11/91/373391191.db2.gz FDRNRNNKTBZWMN-PRWKNARSSA-N 1 2 296.392 2.246 20 5 CEBDLO COC(=O)[C@H]1C[C@@H](C)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000275040790 374136098 /nfs/dbraw/zinc/13/60/98/374136098.db2.gz YBDCUBLPJJKTOL-SMDDNHRTSA-N 1 2 292.335 2.368 20 5 CEBDLO COC(=O)[C@H]1C[C@@H](C)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000275040790 374136103 /nfs/dbraw/zinc/13/61/03/374136103.db2.gz YBDCUBLPJJKTOL-SMDDNHRTSA-N 1 2 292.335 2.368 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCOCC12CCC2 ZINC000373779008 374417595 /nfs/dbraw/zinc/41/75/95/374417595.db2.gz WRRIDJBXNBRXOP-UHFFFAOYSA-N 1 2 292.335 2.358 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCOCC12CCC2 ZINC000373779008 374417602 /nfs/dbraw/zinc/41/76/02/374417602.db2.gz WRRIDJBXNBRXOP-UHFFFAOYSA-N 1 2 292.335 2.358 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000277461386 374528385 /nfs/dbraw/zinc/52/83/85/374528385.db2.gz LJFXPTMUUQQJCO-BIBXISHDSA-N 1 2 296.392 2.104 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000277461386 374528388 /nfs/dbraw/zinc/52/83/88/374528388.db2.gz LJFXPTMUUQQJCO-BIBXISHDSA-N 1 2 296.392 2.104 20 5 CEBDLO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@H]2OCC[C@H]21 ZINC000376016248 374693585 /nfs/dbraw/zinc/69/35/85/374693585.db2.gz WIWRNSKNFLCPFB-ZIAGYGMSSA-N 1 2 280.299 2.487 20 5 CEBDLO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@H]2OCC[C@H]21 ZINC000376016248 374693591 /nfs/dbraw/zinc/69/35/91/374693591.db2.gz WIWRNSKNFLCPFB-ZIAGYGMSSA-N 1 2 280.299 2.487 20 5 CEBDLO O=[N+]([O-])c1ccc2c(c1NCCNc1cccc[nH+]1)CCN2 ZINC000278304139 374775225 /nfs/dbraw/zinc/77/52/25/374775225.db2.gz GWVAKHLFOLKEGC-UHFFFAOYSA-N 1 2 299.334 2.482 20 5 CEBDLO CC(C)C[C@H]([NH3+])c1noc(-c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000414626527 375884688 /nfs/dbraw/zinc/88/46/88/375884688.db2.gz YGFPLTYJKZDSJS-VIFPVBQESA-N 1 2 292.295 2.396 20 5 CEBDLO COc1cc(N[C@@H](C)Cn2cc[nH+]c2)c([N+](=O)[O-])cc1F ZINC000290536672 376824483 /nfs/dbraw/zinc/82/44/83/376824483.db2.gz OTMBGUKOCNWBFP-VIFPVBQESA-N 1 2 294.286 2.440 20 5 CEBDLO COCC[C@@H]1COCC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000291272495 377152300 /nfs/dbraw/zinc/15/23/00/377152300.db2.gz NYJWQGMCDQMSIU-CQSZACIVSA-N 1 2 294.351 2.141 20 5 CEBDLO COCC[C@@H]1COCC[N@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000291272495 377152309 /nfs/dbraw/zinc/15/23/09/377152309.db2.gz NYJWQGMCDQMSIU-CQSZACIVSA-N 1 2 294.351 2.141 20 5 CEBDLO CC(C)[C@H]1C[N@H+](C)CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330894484 377202439 /nfs/dbraw/zinc/20/24/39/377202439.db2.gz FJLVXVOFQCUNOX-OAHLLOKOSA-N 1 2 293.367 2.072 20 5 CEBDLO CC(C)[C@H]1C[N@@H+](C)CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330894484 377202449 /nfs/dbraw/zinc/20/24/49/377202449.db2.gz FJLVXVOFQCUNOX-OAHLLOKOSA-N 1 2 293.367 2.072 20 5 CEBDLO O=[N+]([O-])c1ccc(CN2CCn3cc[nH+]c3C2)c(Cl)c1 ZINC000332582386 377640774 /nfs/dbraw/zinc/64/07/74/377640774.db2.gz BAEWEOBVTDDHPF-UHFFFAOYSA-N 1 2 292.726 2.461 20 5 CEBDLO Cn1cc[nH+]c1[C@@H]1N(c2ccc([N+](=O)[O-])nc2)CC1(C)C ZINC000450645795 378516647 /nfs/dbraw/zinc/51/66/47/378516647.db2.gz MJTOYRUDYMMEHR-LBPRGKRZSA-N 1 2 287.323 2.311 20 5 CEBDLO Cc1nc(N[C@@H](c2[nH]cc[nH+]2)C(C)C)ncc1[N+](=O)[O-] ZINC000296736548 378633022 /nfs/dbraw/zinc/63/30/22/378633022.db2.gz JFCAHUMSWFKSGG-SNVBAGLBSA-N 1 2 276.300 2.226 20 5 CEBDLO Cc1cc(C)c(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000456863163 379579472 /nfs/dbraw/zinc/57/94/72/379579472.db2.gz QTEPNSWFYZNWFL-UHFFFAOYSA-N 1 2 299.330 2.466 20 5 CEBDLO Cc1ccc(NC[C@H](C)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000266974795 190294645 /nfs/dbraw/zinc/29/46/45/190294645.db2.gz NLWCCGOVJWWWDT-LBPRGKRZSA-N 1 2 279.340 2.036 20 5 CEBDLO CC[N@H+](Cc1cn(C)nn1)Cc1ccc([N+](=O)[O-])cc1C ZINC000350354652 219010488 /nfs/dbraw/zinc/01/04/88/219010488.db2.gz MIPFKFZHXPOYEQ-UHFFFAOYSA-N 1 2 289.339 2.054 20 5 CEBDLO CC[N@@H+](Cc1cn(C)nn1)Cc1ccc([N+](=O)[O-])cc1C ZINC000350354652 219010490 /nfs/dbraw/zinc/01/04/90/219010490.db2.gz MIPFKFZHXPOYEQ-UHFFFAOYSA-N 1 2 289.339 2.054 20 5 CEBDLO Cc1cnn(C)c1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000289243875 197273977 /nfs/dbraw/zinc/27/39/77/197273977.db2.gz ZVSGAOAPGYZZOK-UHFFFAOYSA-N 1 2 274.324 2.269 20 5 CEBDLO Cc1cnn(C)c1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000289243875 197273979 /nfs/dbraw/zinc/27/39/79/197273979.db2.gz ZVSGAOAPGYZZOK-UHFFFAOYSA-N 1 2 274.324 2.269 20 5 CEBDLO CCC[N@H+](CC(=O)NC)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116367257 394757543 /nfs/dbraw/zinc/75/75/43/394757543.db2.gz XFBRHYOFCGNABN-UHFFFAOYSA-N 1 2 299.758 2.206 20 5 CEBDLO CCC[N@@H+](CC(=O)NC)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116367257 394757545 /nfs/dbraw/zinc/75/75/45/394757545.db2.gz XFBRHYOFCGNABN-UHFFFAOYSA-N 1 2 299.758 2.206 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000273415328 394788609 /nfs/dbraw/zinc/78/86/09/394788609.db2.gz IMOGJFYHSKVRMO-PVUDRZGPSA-N 1 2 296.392 2.245 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000273415328 394788611 /nfs/dbraw/zinc/78/86/11/394788611.db2.gz IMOGJFYHSKVRMO-PVUDRZGPSA-N 1 2 296.392 2.245 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1CN(C)Cc1[nH+]ccn1C ZINC000273789881 394788757 /nfs/dbraw/zinc/78/87/57/394788757.db2.gz VDOWFSHULDPWIH-UHFFFAOYSA-N 1 2 274.324 2.269 20 5 CEBDLO CO[C@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285914458 394983454 /nfs/dbraw/zinc/98/34/54/394983454.db2.gz HPAYGVBHXYFREJ-JTQLQIEISA-N 1 2 286.278 2.484 20 5 CEBDLO CO[C@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285914458 394983456 /nfs/dbraw/zinc/98/34/56/394983456.db2.gz HPAYGVBHXYFREJ-JTQLQIEISA-N 1 2 286.278 2.484 20 5 CEBDLO CN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CC1 ZINC000448685280 395530598 /nfs/dbraw/zinc/53/05/98/395530598.db2.gz VYERTGRXJKFAJJ-UHFFFAOYSA-N 1 2 286.291 2.015 20 5 CEBDLO Cn1cc[nH+]c1[C@@H]1N(c2ncc([N+](=O)[O-])s2)CC1(C)C ZINC000450647295 395573547 /nfs/dbraw/zinc/57/35/47/395573547.db2.gz NSFVMQAYVLLJJB-VIFPVBQESA-N 1 2 293.352 2.372 20 5 CEBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c(F)c1 ZINC000575043358 395644669 /nfs/dbraw/zinc/64/46/69/395644669.db2.gz XJPOUKNZNNEXQA-OTYXRUKQSA-N 1 2 298.289 2.484 20 5 CEBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)c(F)c1 ZINC000575043358 395644670 /nfs/dbraw/zinc/64/46/70/395644670.db2.gz XJPOUKNZNNEXQA-OTYXRUKQSA-N 1 2 298.289 2.484 20 5 CEBDLO Cc1ccc(C[N@H+]2CCOC[C@H]2C)cc1[N+](=O)[O-] ZINC000091814803 292101189 /nfs/dbraw/zinc/10/11/89/292101189.db2.gz RVUNZAJKCZLPJH-LLVKDONJSA-N 1 2 250.298 2.124 20 5 CEBDLO Cc1ccc(C[N@@H+]2CCOC[C@H]2C)cc1[N+](=O)[O-] ZINC000091814803 292101191 /nfs/dbraw/zinc/10/11/91/292101191.db2.gz RVUNZAJKCZLPJH-LLVKDONJSA-N 1 2 250.298 2.124 20 5 CEBDLO COc1ccc(C[NH+]2[C@H](C)COC[C@H]2C)cc1[N+](=O)[O-] ZINC000077367947 286309975 /nfs/dbraw/zinc/30/99/75/286309975.db2.gz BXVXTCZCDQHBMG-GHMZBOCLSA-N 1 2 280.324 2.213 20 5 CEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC=C(c2ccco2)C1 ZINC000375691501 157125474 /nfs/dbraw/zinc/12/54/74/157125474.db2.gz WTEQZZLYAJQALN-UHFFFAOYSA-N 1 2 288.307 2.211 20 5 CEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC=C(c2ccco2)C1 ZINC000375691501 157125477 /nfs/dbraw/zinc/12/54/77/157125477.db2.gz WTEQZZLYAJQALN-UHFFFAOYSA-N 1 2 288.307 2.211 20 5 CEBDLO O=[N+]([O-])c1cnccc1NCCCCn1cc[nH+]c1 ZINC000045108289 175308818 /nfs/dbraw/zinc/30/88/18/175308818.db2.gz AUFOODKAKYIVDA-UHFFFAOYSA-N 1 2 261.285 2.079 20 5 CEBDLO C[C@@H]1COC[C@H](C)[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000077366049 177257767 /nfs/dbraw/zinc/25/77/67/177257767.db2.gz ZQMHYKXJOMLLMK-PHIMTYICSA-N 1 2 250.298 2.204 20 5 CEBDLO C[C@@H]1COC[C@H](C)[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000077366049 177257771 /nfs/dbraw/zinc/25/77/71/177257771.db2.gz ZQMHYKXJOMLLMK-PHIMTYICSA-N 1 2 250.298 2.204 20 5 CEBDLO CC[C@H]1COCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430208379 271362732 /nfs/dbraw/zinc/36/27/32/271362732.db2.gz OQYDOYUXNKAVOE-LBPRGKRZSA-N 1 2 280.324 2.214 20 5 CEBDLO CC[C@H]1COCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430208379 271362736 /nfs/dbraw/zinc/36/27/36/271362736.db2.gz OQYDOYUXNKAVOE-LBPRGKRZSA-N 1 2 280.324 2.214 20 5 CEBDLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000183381601 276027670 /nfs/dbraw/zinc/02/76/70/276027670.db2.gz ONHMWGFNGJFCTP-CQSZACIVSA-N 1 2 291.351 2.004 20 5 CEBDLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000183381601 276027671 /nfs/dbraw/zinc/02/76/71/276027671.db2.gz ONHMWGFNGJFCTP-CQSZACIVSA-N 1 2 291.351 2.004 20 5 CEBDLO O=[N+]([O-])c1cnc(N2CCC[C@H]2c2[nH]cc[nH+]2)s1 ZINC000375595002 280379650 /nfs/dbraw/zinc/37/96/50/280379650.db2.gz CVTSQHOMBCKAML-ZETCQYMHSA-N 1 2 265.298 2.116 20 5 CEBDLO CC[C@H](c1ccncc1)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000354833839 281028510 /nfs/dbraw/zinc/02/85/10/281028510.db2.gz UAQAMDPYAMWUJH-GFCCVEGCSA-N 1 2 289.339 2.306 20 5 CEBDLO CC[C@H](c1ccncc1)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000354833839 281028514 /nfs/dbraw/zinc/02/85/14/281028514.db2.gz UAQAMDPYAMWUJH-GFCCVEGCSA-N 1 2 289.339 2.306 20 5 CEBDLO C[C@@]1([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000339082848 289202955 /nfs/dbraw/zinc/20/29/55/289202955.db2.gz KPUYFJLCZNRCLV-LSDHHAIUSA-N 1 2 292.335 2.348 20 5 CEBDLO Cc1cn2c([nH+]1)CN(c1cccc(F)c1[N+](=O)[O-])CC2 ZINC000374714580 302324141 /nfs/dbraw/zinc/32/41/41/302324141.db2.gz HPCTXUVMGNJDES-UHFFFAOYSA-N 1 2 276.271 2.259 20 5 CEBDLO Cc1cn2c([nH+]1)CN(c1ccc(C)cc1[N+](=O)[O-])CC2 ZINC000359897112 302324167 /nfs/dbraw/zinc/32/41/67/302324167.db2.gz JUFAFLWUPBYYHW-UHFFFAOYSA-N 1 2 272.308 2.428 20 5 CEBDLO Cc1nc(NCCc2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC000054936104 527351772 /nfs/dbraw/zinc/35/17/72/527351772.db2.gz VNHIWXLYGHJBGC-UHFFFAOYSA-N 1 2 258.281 2.348 20 5 CEBDLO O=[N+]([O-])c1cc(C[NH2+]Cc2cccc(F)n2)cs1 ZINC000747937186 575176901 /nfs/dbraw/zinc/17/69/01/575176901.db2.gz GGYDAQRCHCFIIZ-UHFFFAOYSA-N 1 2 267.285 2.480 20 5 CEBDLO [NH3+]CCCCCCC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000236214917 625909584 /nfs/dbraw/zinc/90/95/84/625909584.db2.gz DQFRJVSFJUBBHP-UHFFFAOYSA-N 1 2 281.312 2.148 20 5 CEBDLO Cc1[nH]c([C@@H]2CCCN2c2c([N+](=O)[O-])ncn2C)[nH+]c1C ZINC000895191624 630021876 /nfs/dbraw/zinc/02/18/76/630021876.db2.gz BODSLAYBBVUPEP-JTQLQIEISA-N 1 2 290.327 2.010 20 5 CEBDLO CCn1c[nH+]c2c1CCN(c1ccsc1[N+](=O)[O-])C2 ZINC000896654793 630627310 /nfs/dbraw/zinc/62/73/10/630627310.db2.gz SXOFSDQACVDOKS-UHFFFAOYSA-N 1 2 278.337 2.435 20 5 CEBDLO O=[N+]([O-])c1ccc(CC[N@@H+]2CCO[C@H](C(F)F)C2)cc1 ZINC000801561101 631288967 /nfs/dbraw/zinc/28/89/67/631288967.db2.gz OTHHYWRSXISZNP-LBPRGKRZSA-N 1 2 286.278 2.103 20 5 CEBDLO O=[N+]([O-])c1ccc(CC[N@H+]2CCO[C@H](C(F)F)C2)cc1 ZINC000801561101 631288968 /nfs/dbraw/zinc/28/89/68/631288968.db2.gz OTHHYWRSXISZNP-LBPRGKRZSA-N 1 2 286.278 2.103 20 5 CEBDLO CC(C)N(C)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000054111064 631675103 /nfs/dbraw/zinc/67/51/03/631675103.db2.gz CQPZEMZZXMVMFC-UHFFFAOYSA-N 1 2 251.330 2.025 20 5 CEBDLO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3C[C@@H]4C[C@H]3CS4)c2c1 ZINC000840168920 632078224 /nfs/dbraw/zinc/07/82/24/632078224.db2.gz PANRSMVTIQYXLO-RYUDHWBXSA-N 1 2 290.348 2.092 20 5 CEBDLO O=[N+]([O-])c1ccc2cnn(C[N@H+]3C[C@@H]4C[C@H]3CS4)c2c1 ZINC000840168920 632078230 /nfs/dbraw/zinc/07/82/30/632078230.db2.gz PANRSMVTIQYXLO-RYUDHWBXSA-N 1 2 290.348 2.092 20 5 CEBDLO CC(C)(CNC(=O)c1csc([N+](=O)[O-])c1)n1cc[nH+]c1 ZINC000898902214 632638309 /nfs/dbraw/zinc/63/83/09/632638309.db2.gz RNFUIEBEKATBKB-UHFFFAOYSA-N 1 2 294.336 2.018 20 5 CEBDLO C[C@@H]([NH2+]Cc1ccon1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815585393 633034402 /nfs/dbraw/zinc/03/44/02/633034402.db2.gz GMRZLXWFEXSZIW-MRVPVSSYSA-N 1 2 262.269 2.016 20 5 CEBDLO O=[N+]([O-])CCNc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000905328375 636226089 /nfs/dbraw/zinc/22/60/89/636226089.db2.gz GIGHTYBHIBWRTN-UHFFFAOYSA-N 1 2 284.319 2.290 20 5 CEBDLO O=[N+]([O-])CC[NH2+]Cc1c(Cl)cccc1OC(F)F ZINC000905410440 636261494 /nfs/dbraw/zinc/26/14/94/636261494.db2.gz XDMBZYDAEOKPKF-UHFFFAOYSA-N 1 2 280.658 2.308 20 5 CEBDLO CC(=O)C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000846952622 641496708 /nfs/dbraw/zinc/49/67/08/641496708.db2.gz FJOBXAOFUQEGHM-UHFFFAOYSA-N 1 2 268.338 2.457 20 5 CEBDLO CCn1ncc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000839011434 644124566 /nfs/dbraw/zinc/12/45/66/644124566.db2.gz KHAKHVAIUBYHTB-UHFFFAOYSA-N 1 2 289.339 2.231 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCC[N@H+](CCF)C2)n1 ZINC000865927841 647540032 /nfs/dbraw/zinc/54/00/32/647540032.db2.gz IYPPFAJOKDUIAM-LLVKDONJSA-N 1 2 282.319 2.144 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCC[N@@H+](CCF)C2)n1 ZINC000865927841 647540035 /nfs/dbraw/zinc/54/00/35/647540035.db2.gz IYPPFAJOKDUIAM-LLVKDONJSA-N 1 2 282.319 2.144 20 5 CEBDLO O=C(OCCCn1cc[nH+]c1)c1cc([N+](=O)[O-])ccc1F ZINC000782995456 647669250 /nfs/dbraw/zinc/66/92/50/647669250.db2.gz TXLXGYMTSMWXQL-UHFFFAOYSA-N 1 2 293.254 2.178 20 5 CEBDLO Cc1c(C[NH2+]Cc2nnc(C3CC3)[nH]2)cccc1[N+](=O)[O-] ZINC000873129323 649565082 /nfs/dbraw/zinc/56/50/82/649565082.db2.gz MQSFNPRQFWQCNE-UHFFFAOYSA-N 1 2 287.323 2.189 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)cc1F ZINC000715418745 814956123 /nfs/dbraw/zinc/95/61/23/814956123.db2.gz LSZCOLYEZMZLQU-DTORHVGOSA-N 1 2 272.226 2.431 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)cc1F ZINC000715418745 814956128 /nfs/dbraw/zinc/95/61/28/814956128.db2.gz LSZCOLYEZMZLQU-DTORHVGOSA-N 1 2 272.226 2.431 20 5 CEBDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1Cc2cnn(C)c2C1 ZINC001173225775 815629180 /nfs/dbraw/zinc/62/91/80/815629180.db2.gz GEEYSKYFGZZZNA-LLVKDONJSA-N 1 2 286.335 2.275 20 5 CEBDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1Cc2cnn(C)c2C1 ZINC001173225775 815629181 /nfs/dbraw/zinc/62/91/81/815629181.db2.gz GEEYSKYFGZZZNA-LLVKDONJSA-N 1 2 286.335 2.275 20 5 CEBDLO CCC[C@@H]([NH2+]Cc1nncn1C)c1cccc([N+](=O)[O-])c1 ZINC000038007701 361978945 /nfs/dbraw/zinc/97/89/45/361978945.db2.gz GKSNUCYGXQUVLY-CYBMUJFWSA-N 1 2 289.339 2.354 20 5 CEBDLO CCc1c[nH+]ccc1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000357582413 529503071 /nfs/dbraw/zinc/50/30/71/529503071.db2.gz MFFRFXCLDTWDAQ-UHFFFAOYSA-N 1 2 277.305 2.288 20 5 CEBDLO CC(C)NC(=O)C[N@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000016420220 343371104 /nfs/dbraw/zinc/37/11/04/343371104.db2.gz OYANRRKXWACURT-NSHDSACASA-N 1 2 279.340 2.112 20 5 CEBDLO CC(C)NC(=O)C[N@@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000016420220 343371105 /nfs/dbraw/zinc/37/11/05/343371105.db2.gz OYANRRKXWACURT-NSHDSACASA-N 1 2 279.340 2.112 20 5 CEBDLO O=[N+]([O-])c1cccnc1NCCCCn1cc[nH+]c1 ZINC000045108276 343481145 /nfs/dbraw/zinc/48/11/45/343481145.db2.gz BJGRBAIUMOOVAB-UHFFFAOYSA-N 1 2 261.285 2.079 20 5 CEBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000047028509 343510045 /nfs/dbraw/zinc/51/00/45/343510045.db2.gz DLFGRALEAYWJHO-SNVBAGLBSA-N 1 2 289.295 2.002 20 5 CEBDLO COC(=O)[C@](C)([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000081153769 344040391 /nfs/dbraw/zinc/04/03/91/344040391.db2.gz KJKIHVYTRXLZFH-OAHLLOKOSA-N 1 2 292.335 2.069 20 5 CEBDLO O=[N+]([O-])c1cccc(Oc2cc(-n3cc[nH+]c3)ncn2)c1 ZINC000077165045 343908985 /nfs/dbraw/zinc/90/89/85/343908985.db2.gz VWJALOCZGVEMCL-UHFFFAOYSA-N 1 2 283.247 2.363 20 5 CEBDLO Cc1cnc(NCCNc2cccc[nH+]2)c([N+](=O)[O-])c1 ZINC000078626387 343959330 /nfs/dbraw/zinc/95/93/30/343959330.db2.gz VOZFDDCFTCBACC-UHFFFAOYSA-N 1 2 273.296 2.217 20 5 CEBDLO O=[N+]([O-])c1ccccc1SCC[NH+]1CCOCC1 ZINC000090069634 344135737 /nfs/dbraw/zinc/13/57/37/344135737.db2.gz CBPANRDKHWKKJL-UHFFFAOYSA-N 1 2 268.338 2.019 20 5 CEBDLO CC[C@@H]1C[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)CCO1 ZINC000051736946 362435441 /nfs/dbraw/zinc/43/54/41/362435441.db2.gz XPZALEJHBBWEJE-GFCCVEGCSA-N 1 2 280.324 2.214 20 5 CEBDLO CC[C@@H]1C[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)CCO1 ZINC000051736946 362435443 /nfs/dbraw/zinc/43/54/43/362435443.db2.gz XPZALEJHBBWEJE-GFCCVEGCSA-N 1 2 280.324 2.214 20 5 CEBDLO C[C@H]([NH2+]Cc1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000051923692 362450490 /nfs/dbraw/zinc/45/04/90/362450490.db2.gz KWSCPRMTPZEOBK-JTQLQIEISA-N 1 2 260.297 2.179 20 5 CEBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3C[C@H]4CCC[C@@H]43)nc2c1 ZINC000584759420 344983420 /nfs/dbraw/zinc/98/34/20/344983420.db2.gz QZZHUDQGPSGOND-RNCFNFMXSA-N 1 2 272.308 2.455 20 5 CEBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3C[C@H]4CCC[C@@H]43)nc2c1 ZINC000584759420 344983422 /nfs/dbraw/zinc/98/34/22/344983422.db2.gz QZZHUDQGPSGOND-RNCFNFMXSA-N 1 2 272.308 2.455 20 5 CEBDLO C[C@@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1[nH]cc[nH+]1 ZINC000590393232 345132929 /nfs/dbraw/zinc/13/29/29/345132929.db2.gz MNHUDIHNEHEHPR-MRVPVSSYSA-N 1 2 299.290 2.290 20 5 CEBDLO O=[N+]([O-])c1ccc(OCC[N@@H+]2Cc3cccnc3C2)cc1 ZINC000591846263 345288173 /nfs/dbraw/zinc/28/81/73/345288173.db2.gz WZHUMRSPODWBSI-UHFFFAOYSA-N 1 2 285.303 2.384 20 5 CEBDLO O=[N+]([O-])c1ccc(OCC[N@H+]2Cc3cccnc3C2)cc1 ZINC000591846263 345288175 /nfs/dbraw/zinc/28/81/75/345288175.db2.gz WZHUMRSPODWBSI-UHFFFAOYSA-N 1 2 285.303 2.384 20 5 CEBDLO C[C@@H](CCO)[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000593109538 345441373 /nfs/dbraw/zinc/44/13/73/345441373.db2.gz ZKZQQRQEHSPPPG-QMMMGPOBSA-N 1 2 274.267 2.076 20 5 CEBDLO C[C@@H](CCO)[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000593109538 345441374 /nfs/dbraw/zinc/44/13/74/345441374.db2.gz ZKZQQRQEHSPPPG-QMMMGPOBSA-N 1 2 274.267 2.076 20 5 CEBDLO Cc1noc(C[N@H+](C)CCOc2ccccc2)c1[N+](=O)[O-] ZINC000595292754 345755619 /nfs/dbraw/zinc/75/56/19/345755619.db2.gz VRHJVNIMWPMMNZ-UHFFFAOYSA-N 1 2 291.307 2.402 20 5 CEBDLO Cc1noc(C[N@@H+](C)CCOc2ccccc2)c1[N+](=O)[O-] ZINC000595292754 345755622 /nfs/dbraw/zinc/75/56/22/345755622.db2.gz VRHJVNIMWPMMNZ-UHFFFAOYSA-N 1 2 291.307 2.402 20 5 CEBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000595542526 345807550 /nfs/dbraw/zinc/80/75/50/345807550.db2.gz XCHPYRSNEUYNNO-RISCZKNCSA-N 1 2 280.299 2.345 20 5 CEBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000595542526 345807553 /nfs/dbraw/zinc/80/75/53/345807553.db2.gz XCHPYRSNEUYNNO-RISCZKNCSA-N 1 2 280.299 2.345 20 5 CEBDLO CC[C@H]1C[N@H+](Cc2onc(C)c2[N+](=O)[O-])[C@@H](CC)CO1 ZINC000595558705 345813183 /nfs/dbraw/zinc/81/31/83/345813183.db2.gz PJLKZKOURANUCD-QWRGUYRKSA-N 1 2 283.328 2.281 20 5 CEBDLO CC[C@H]1C[N@@H+](Cc2onc(C)c2[N+](=O)[O-])[C@@H](CC)CO1 ZINC000595558705 345813185 /nfs/dbraw/zinc/81/31/85/345813185.db2.gz PJLKZKOURANUCD-QWRGUYRKSA-N 1 2 283.328 2.281 20 5 CEBDLO CC[N@H+](Cc1onc(C)c1[N+](=O)[O-])Cc1ccncc1 ZINC000595406092 345775089 /nfs/dbraw/zinc/77/50/89/345775089.db2.gz HRHKBDXAYOBWKY-UHFFFAOYSA-N 1 2 276.296 2.308 20 5 CEBDLO CC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])Cc1ccncc1 ZINC000595406092 345775091 /nfs/dbraw/zinc/77/50/91/345775091.db2.gz HRHKBDXAYOBWKY-UHFFFAOYSA-N 1 2 276.296 2.308 20 5 CEBDLO COCC[C@@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])c1ccco1 ZINC000595430367 345780549 /nfs/dbraw/zinc/78/05/49/345780549.db2.gz JLVIIENVKFTWPO-SNVBAGLBSA-N 1 2 295.295 2.352 20 5 CEBDLO C[C@]12COC[C@@H]1C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C2 ZINC000595755666 345867198 /nfs/dbraw/zinc/86/71/98/345867198.db2.gz CJYXOVKDJXYVTN-XPTSAGLGSA-N 1 2 298.289 2.341 20 5 CEBDLO C[C@]12COC[C@@H]1C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C2 ZINC000595755666 345867200 /nfs/dbraw/zinc/86/72/00/345867200.db2.gz CJYXOVKDJXYVTN-XPTSAGLGSA-N 1 2 298.289 2.341 20 5 CEBDLO Cc1cc(N2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])s1 ZINC000596093798 345938471 /nfs/dbraw/zinc/93/84/71/345938471.db2.gz XCLXBLJVSZSTDT-UHFFFAOYSA-N 1 2 267.354 2.249 20 5 CEBDLO O=[N+]([O-])c1ccc(NCc2ccc[nH+]c2N2CCCC2)nc1 ZINC000596357598 346006787 /nfs/dbraw/zinc/00/67/87/346006787.db2.gz QUGDMKJNLJJVBT-UHFFFAOYSA-N 1 2 299.334 2.019 20 5 CEBDLO O=[N+]([O-])c1cnc2ccccc2c1NCCCn1cc[nH+]c1 ZINC000336859683 213764485 /nfs/dbraw/zinc/76/44/85/213764485.db2.gz JUGAIJIUVIYYRM-UHFFFAOYSA-N 1 2 297.318 2.264 20 5 CEBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000597866606 346242178 /nfs/dbraw/zinc/24/21/78/346242178.db2.gz ZWGNRHFBPSFJLT-UHFFFAOYSA-N 1 2 288.307 2.207 20 5 CEBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000597866606 346242182 /nfs/dbraw/zinc/24/21/82/346242182.db2.gz ZWGNRHFBPSFJLT-UHFFFAOYSA-N 1 2 288.307 2.207 20 5 CEBDLO Cc1ccc(C(=O)N[C@@H](C)c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000598459535 346360493 /nfs/dbraw/zinc/36/04/93/346360493.db2.gz HUVYVZYRRSFQAP-JTQLQIEISA-N 1 2 288.307 2.128 20 5 CEBDLO O=[N+]([O-])c1c(NC[C@H](O)C2CC2)ccc2c[nH+]ccc21 ZINC000599039568 346450303 /nfs/dbraw/zinc/45/03/03/346450303.db2.gz AGKSUCHDLWJWAJ-ZDUSSCGKSA-N 1 2 273.292 2.326 20 5 CEBDLO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCO[C@@H](CCF)C2)cc1 ZINC000599644243 346552660 /nfs/dbraw/zinc/55/26/60/346552660.db2.gz XPIAMVILTDTBEF-AWEZNQCLSA-N 1 2 298.314 2.034 20 5 CEBDLO O=[N+]([O-])c1ccc(OCC[N@H+]2CCO[C@@H](CCF)C2)cc1 ZINC000599644243 346552662 /nfs/dbraw/zinc/55/26/62/346552662.db2.gz XPIAMVILTDTBEF-AWEZNQCLSA-N 1 2 298.314 2.034 20 5 CEBDLO CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000599703338 346571800 /nfs/dbraw/zinc/57/18/00/346571800.db2.gz PKGIVKACADDQSH-GFCCVEGCSA-N 1 2 297.380 2.147 20 5 CEBDLO CC(=O)NC[C@H]1CCCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000599703338 346571805 /nfs/dbraw/zinc/57/18/05/346571805.db2.gz PKGIVKACADDQSH-GFCCVEGCSA-N 1 2 297.380 2.147 20 5 CEBDLO CN(C)c1ccc(Cn2cc([N+](=O)[O-])c(C3CC3)n2)c[nH+]1 ZINC000600533340 346650310 /nfs/dbraw/zinc/65/03/10/346650310.db2.gz KXHFTOIXWNIANO-UHFFFAOYSA-N 1 2 287.323 2.178 20 5 CEBDLO C[C@](CO)([NH2+]Cc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000601148577 346769920 /nfs/dbraw/zinc/76/99/20/346769920.db2.gz DKYVJGIVPLVPHY-CQSZACIVSA-N 1 2 276.292 2.185 20 5 CEBDLO O=[N+]([O-])c1ccc(CC[NH+]2CC(OC(F)F)C2)cc1 ZINC000602688615 347148336 /nfs/dbraw/zinc/14/83/36/347148336.db2.gz MARGYERJNOLQGX-UHFFFAOYSA-N 1 2 272.251 2.061 20 5 CEBDLO C[C@H](CF)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602662258 347129428 /nfs/dbraw/zinc/12/94/28/347129428.db2.gz NIOKNXPQSBEFSD-SSDOTTSWSA-N 1 2 253.233 2.184 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCc2c[nH]nc2C1 ZINC000612578575 347903597 /nfs/dbraw/zinc/90/35/97/347903597.db2.gz XKPFYDQMRWQPQY-UHFFFAOYSA-N 1 2 272.308 2.185 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCc2c[nH]nc2C1 ZINC000612578575 347903602 /nfs/dbraw/zinc/90/36/02/347903602.db2.gz XKPFYDQMRWQPQY-UHFFFAOYSA-N 1 2 272.308 2.185 20 5 CEBDLO O=[N+]([O-])c1ccccc1C=CCNc1ccc(CO)c[nH+]1 ZINC000356323515 232817076 /nfs/dbraw/zinc/81/70/76/232817076.db2.gz TVWQANURLASRCD-HYXAFXHYSA-N 1 2 285.303 2.029 20 5 CEBDLO Cc1sc(C(=O)N2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000105890522 186084037 /nfs/dbraw/zinc/08/40/37/186084037.db2.gz NWCXCZLKHSKJMZ-UHFFFAOYSA-N 1 2 297.380 2.131 20 5 CEBDLO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000450831328 282791384 /nfs/dbraw/zinc/79/13/84/282791384.db2.gz PDTDSVZGDXXDOQ-WCBMZHEXSA-N 1 2 290.327 2.434 20 5 CEBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCc2n[nH]cc2C1 ZINC000271609155 191238389 /nfs/dbraw/zinc/23/83/89/191238389.db2.gz VAEOTKDQWFLQRC-SNVBAGLBSA-N 1 2 272.308 2.437 20 5 CEBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCc2n[nH]cc2C1 ZINC000271609155 191238391 /nfs/dbraw/zinc/23/83/91/191238391.db2.gz VAEOTKDQWFLQRC-SNVBAGLBSA-N 1 2 272.308 2.437 20 5 CEBDLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000154789364 188161776 /nfs/dbraw/zinc/16/17/76/188161776.db2.gz FJANVQWVKQQACX-ZDUSSCGKSA-N 1 2 291.351 2.004 20 5 CEBDLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000154789364 188161777 /nfs/dbraw/zinc/16/17/77/188161777.db2.gz FJANVQWVKQQACX-ZDUSSCGKSA-N 1 2 291.351 2.004 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCOCC23CCC3)cc1 ZINC000135516877 366450597 /nfs/dbraw/zinc/45/05/97/366450597.db2.gz UUSDZGZLCJCBAE-UHFFFAOYSA-N 1 2 262.309 2.350 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCOCC23CCC3)cc1 ZINC000135516877 366450602 /nfs/dbraw/zinc/45/06/02/366450602.db2.gz UUSDZGZLCJCBAE-UHFFFAOYSA-N 1 2 262.309 2.350 20 5 CEBDLO C[C@@H](O)C[N@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000104307614 364692176 /nfs/dbraw/zinc/69/21/76/364692176.db2.gz JDNIVJXOHLLKFW-MRVPVSSYSA-N 1 2 258.705 2.061 20 5 CEBDLO C[C@@H](O)C[N@@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000104307614 364692178 /nfs/dbraw/zinc/69/21/78/364692178.db2.gz JDNIVJXOHLLKFW-MRVPVSSYSA-N 1 2 258.705 2.061 20 5 CEBDLO O=[N+]([O-])c1cc2c(nc1N1CC(n3cc[nH+]c3)C1)CCCC2 ZINC000583496317 367057087 /nfs/dbraw/zinc/05/70/87/367057087.db2.gz BHOQJCASOOYHPK-UHFFFAOYSA-N 1 2 299.334 2.126 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1-c1nc(Cc2c[nH+]cn2C)no1 ZINC000357956043 370851865 /nfs/dbraw/zinc/85/18/65/370851865.db2.gz JUNMTZNBMONUNU-UHFFFAOYSA-N 1 2 299.290 2.278 20 5 CEBDLO Cc1c(C[N@@H+]2CCC(=O)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000168893974 367363842 /nfs/dbraw/zinc/36/38/42/367363842.db2.gz KUAZRBOAYAVYPA-SNVBAGLBSA-N 1 2 262.309 2.314 20 5 CEBDLO Cc1c(C[N@H+]2CCC(=O)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000168893974 367363845 /nfs/dbraw/zinc/36/38/45/367363845.db2.gz KUAZRBOAYAVYPA-SNVBAGLBSA-N 1 2 262.309 2.314 20 5 CEBDLO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000330631789 203061593 /nfs/dbraw/zinc/06/15/93/203061593.db2.gz GNYSWTYGVFQFRH-AOOOYVTPSA-N 1 2 293.323 2.112 20 5 CEBDLO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000330631789 203061594 /nfs/dbraw/zinc/06/15/94/203061594.db2.gz GNYSWTYGVFQFRH-AOOOYVTPSA-N 1 2 293.323 2.112 20 5 CEBDLO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H](C)[S@]1=O ZINC000352883120 369929661 /nfs/dbraw/zinc/92/96/61/369929661.db2.gz JAICDSKLKPGRMG-QRVQBPJGSA-N 1 2 296.392 2.326 20 5 CEBDLO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H](C)[S@]1=O ZINC000352883120 369929667 /nfs/dbraw/zinc/92/96/67/369929667.db2.gz JAICDSKLKPGRMG-QRVQBPJGSA-N 1 2 296.392 2.326 20 5 CEBDLO CN(Cc1[nH]cc[nH+]1)c1ncc([N+](=O)[O-])cc1Cl ZINC000354111636 370220295 /nfs/dbraw/zinc/22/02/95/370220295.db2.gz SBCOEVLQOPPEGV-UHFFFAOYSA-N 1 2 267.676 2.003 20 5 CEBDLO C[C@H](CC(=O)NCc1cccc([N+](=O)[O-])c1)n1cc[nH+]c1 ZINC000572965472 299416376 /nfs/dbraw/zinc/41/63/76/299416376.db2.gz QCIKXHXMXGFXLD-LLVKDONJSA-N 1 2 288.307 2.059 20 5 CEBDLO C[C@H]1CCN(c2ccncc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000361059298 371626706 /nfs/dbraw/zinc/62/67/06/371626706.db2.gz SFSHCMVIUOXVDF-SMDDNHRTSA-N 1 2 287.323 2.274 20 5 CEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000361383483 371820353 /nfs/dbraw/zinc/82/03/53/371820353.db2.gz CFOQAYNNEVINSG-GFCCVEGCSA-N 1 2 272.308 2.275 20 5 CEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@H]1c1ccccc1 ZINC000361383483 371820361 /nfs/dbraw/zinc/82/03/61/371820361.db2.gz CFOQAYNNEVINSG-GFCCVEGCSA-N 1 2 272.308 2.275 20 5 CEBDLO Cc1c(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cnn1C ZINC000353592057 220179818 /nfs/dbraw/zinc/17/98/18/220179818.db2.gz ZZIQKKZVWZHSEW-UHFFFAOYSA-N 1 2 286.335 2.195 20 5 CEBDLO Cc1c(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cnn1C ZINC000353592057 220179821 /nfs/dbraw/zinc/17/98/21/220179821.db2.gz ZZIQKKZVWZHSEW-UHFFFAOYSA-N 1 2 286.335 2.195 20 5 CEBDLO CCC[N@@H+]1Cc2cccc(NC(=O)[C@H]3C[C@H]3[N+](=O)[O-])c2C1 ZINC000368910040 373291067 /nfs/dbraw/zinc/29/10/67/373291067.db2.gz NLUNETLBAZPZRD-SMDDNHRTSA-N 1 2 289.335 2.016 20 5 CEBDLO CCC[N@H+]1Cc2cccc(NC(=O)[C@H]3C[C@H]3[N+](=O)[O-])c2C1 ZINC000368910040 373291083 /nfs/dbraw/zinc/29/10/83/373291083.db2.gz NLUNETLBAZPZRD-SMDDNHRTSA-N 1 2 289.335 2.016 20 5 CEBDLO C[C@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC[C@@H]1O ZINC000413253131 375776395 /nfs/dbraw/zinc/77/63/95/375776395.db2.gz UFQLSUNRPRWNLQ-HZMBPMFUSA-N 1 2 287.319 2.350 20 5 CEBDLO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@H]1CCCO1 ZINC000286176841 375863313 /nfs/dbraw/zinc/86/33/13/375863313.db2.gz ZBROUVHQSPVHHF-SNVBAGLBSA-N 1 2 286.278 2.484 20 5 CEBDLO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@H]1CCCO1 ZINC000286176841 375863317 /nfs/dbraw/zinc/86/33/17/375863317.db2.gz ZBROUVHQSPVHHF-SNVBAGLBSA-N 1 2 286.278 2.484 20 5 CEBDLO Cc1cc(NCCn2cc[nH+]c2)c(F)cc1[N+](=O)[O-] ZINC000290881790 376966152 /nfs/dbraw/zinc/96/61/52/376966152.db2.gz BYSZKWDDBFWVNV-UHFFFAOYSA-N 1 2 264.260 2.351 20 5 CEBDLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330417251 377122886 /nfs/dbraw/zinc/12/28/86/377122886.db2.gz DPUOXBGNJHPXTA-CMPLNLGQSA-N 1 2 280.324 2.300 20 5 CEBDLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330417251 377122898 /nfs/dbraw/zinc/12/28/98/377122898.db2.gz DPUOXBGNJHPXTA-CMPLNLGQSA-N 1 2 280.324 2.300 20 5 CEBDLO CC[C@@]1(C)C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000330463426 377147273 /nfs/dbraw/zinc/14/72/73/377147273.db2.gz ZLBIBJSYJUEKOF-AWEZNQCLSA-N 1 2 280.324 2.301 20 5 CEBDLO CC[C@@]1(C)C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000330463426 377147280 /nfs/dbraw/zinc/14/72/80/377147280.db2.gz ZLBIBJSYJUEKOF-AWEZNQCLSA-N 1 2 280.324 2.301 20 5 CEBDLO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330566918 377188915 /nfs/dbraw/zinc/18/89/15/377188915.db2.gz AWDNRHYBQIIYAD-ZJUUUORDSA-N 1 2 293.323 2.436 20 5 CEBDLO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330566918 377188923 /nfs/dbraw/zinc/18/89/23/377188923.db2.gz AWDNRHYBQIIYAD-ZJUUUORDSA-N 1 2 293.323 2.436 20 5 CEBDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000295749362 378287761 /nfs/dbraw/zinc/28/77/61/378287761.db2.gz UKRXBWGGFLGTTC-VIFPVBQESA-N 1 2 288.307 2.046 20 5 CEBDLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000295749362 378287767 /nfs/dbraw/zinc/28/77/67/378287767.db2.gz UKRXBWGGFLGTTC-VIFPVBQESA-N 1 2 288.307 2.046 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000299078350 378892072 /nfs/dbraw/zinc/89/20/72/378892072.db2.gz DQRIAOJECIFSEM-DZGCQCFKSA-N 1 2 292.335 2.357 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000299078350 378892078 /nfs/dbraw/zinc/89/20/78/378892078.db2.gz DQRIAOJECIFSEM-DZGCQCFKSA-N 1 2 292.335 2.357 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000299078353 378892314 /nfs/dbraw/zinc/89/23/14/378892314.db2.gz DQRIAOJECIFSEM-UKRRQHHQSA-N 1 2 292.335 2.357 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000299078353 378892320 /nfs/dbraw/zinc/89/23/20/378892320.db2.gz DQRIAOJECIFSEM-UKRRQHHQSA-N 1 2 292.335 2.357 20 5 CEBDLO CCC[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C(=O)OCC ZINC000266427538 190257050 /nfs/dbraw/zinc/25/70/50/190257050.db2.gz CBHQVSYFHZGPDF-CYBMUJFWSA-N 1 2 294.351 2.459 20 5 CEBDLO C[C@@H](Nc1cccc(F)c1[N+](=O)[O-])[C@@H](C)[NH+]1CCOCC1 ZINC000301202418 379218302 /nfs/dbraw/zinc/21/83/02/379218302.db2.gz QAZFZEFJCZOMHV-GHMZBOCLSA-N 1 2 297.330 2.255 20 5 CEBDLO O=[N+]([O-])c1cccc(OCC[N@@H+]2Cc3cccnc3C2)c1 ZINC000517226421 379349462 /nfs/dbraw/zinc/34/94/62/379349462.db2.gz UPSODJYRWNAITE-UHFFFAOYSA-N 1 2 285.303 2.384 20 5 CEBDLO O=[N+]([O-])c1cccc(OCC[N@H+]2Cc3cccnc3C2)c1 ZINC000517226421 379349471 /nfs/dbraw/zinc/34/94/71/379349471.db2.gz UPSODJYRWNAITE-UHFFFAOYSA-N 1 2 285.303 2.384 20 5 CEBDLO C[C@@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000456354747 379403514 /nfs/dbraw/zinc/40/35/14/379403514.db2.gz PWLKREANAVVPAU-BXKDBHETSA-N 1 2 286.291 2.227 20 5 CEBDLO Cc1cc(NCc2ccc(N(C)C)[nH+]c2)ncc1[N+](=O)[O-] ZINC000266863838 190285612 /nfs/dbraw/zinc/28/56/12/190285612.db2.gz XUKHLKDJYNYFBV-UHFFFAOYSA-N 1 2 287.323 2.371 20 5 CEBDLO O=[N+]([O-])c1cccc2c1CC[N@H+](CCOCC(F)F)C2 ZINC000527298018 379744502 /nfs/dbraw/zinc/74/45/02/379744502.db2.gz IGWVUTYCESNQLR-UHFFFAOYSA-N 1 2 286.278 2.235 20 5 CEBDLO O=[N+]([O-])c1cccc2c1CC[N@@H+](CCOCC(F)F)C2 ZINC000527298018 379744512 /nfs/dbraw/zinc/74/45/12/379744512.db2.gz IGWVUTYCESNQLR-UHFFFAOYSA-N 1 2 286.278 2.235 20 5 CEBDLO COC(=O)[C@]1(F)CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000267717342 190349828 /nfs/dbraw/zinc/34/98/28/190349828.db2.gz XUWVRJLJAZJXCK-HZMBPMFUSA-N 1 2 296.298 2.243 20 5 CEBDLO COC(=O)[C@]1(F)CC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000267717342 190349829 /nfs/dbraw/zinc/34/98/29/190349829.db2.gz XUWVRJLJAZJXCK-HZMBPMFUSA-N 1 2 296.298 2.243 20 5 CEBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@@H](O)C1 ZINC000093097651 285117052 /nfs/dbraw/zinc/11/70/52/285117052.db2.gz UMXRIWKBGHCSKE-LLVKDONJSA-N 1 2 270.716 2.205 20 5 CEBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](O)C1 ZINC000093097651 285117053 /nfs/dbraw/zinc/11/70/53/285117053.db2.gz UMXRIWKBGHCSKE-LLVKDONJSA-N 1 2 270.716 2.205 20 5 CEBDLO Cc1cc(N2CC[NH+](C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000301350594 394460603 /nfs/dbraw/zinc/46/06/03/394460603.db2.gz JTAJCLOPROOCRG-UHFFFAOYSA-N 1 2 269.732 2.308 20 5 CEBDLO CCOCCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413022738 394464350 /nfs/dbraw/zinc/46/43/50/394464350.db2.gz FUMKEMJAJILSSV-UHFFFAOYSA-N 1 2 275.308 2.403 20 5 CEBDLO CO[C@@H](C)CCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413114532 394485325 /nfs/dbraw/zinc/48/53/25/394485325.db2.gz MLWYSXVTXUIFNR-JTQLQIEISA-N 1 2 275.308 2.402 20 5 CEBDLO CC(=O)c1cc(NCCc2cn(C)c[nH+]2)ccc1[N+](=O)[O-] ZINC000413381456 394539930 /nfs/dbraw/zinc/53/99/30/394539930.db2.gz KLESOEUEIQJCHN-UHFFFAOYSA-N 1 2 288.307 2.186 20 5 CEBDLO Cc1[nH]c(C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c[nH+]1 ZINC000294112267 395265511 /nfs/dbraw/zinc/26/55/11/395265511.db2.gz NIWKPRRCFTXELM-UHFFFAOYSA-N 1 2 288.307 2.291 20 5 CEBDLO Cn1c[nH+]cc1CCC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000357173864 154384812 /nfs/dbraw/zinc/38/48/12/154384812.db2.gz UWDWPOQIRCLIBH-UHFFFAOYSA-N 1 2 292.270 2.039 20 5 CEBDLO CCOC(=O)CC[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000170908289 162373828 /nfs/dbraw/zinc/37/38/28/162373828.db2.gz YWATZDKDYCWHID-UHFFFAOYSA-N 1 2 284.287 2.119 20 5 CEBDLO CCOC(=O)CC[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000170908289 162373830 /nfs/dbraw/zinc/37/38/30/162373830.db2.gz YWATZDKDYCWHID-UHFFFAOYSA-N 1 2 284.287 2.119 20 5 CEBDLO O=C(NCc1ccn2cc[nH+]c2c1)c1cccc([N+](=O)[O-])c1 ZINC000178389713 165237565 /nfs/dbraw/zinc/23/75/65/165237565.db2.gz JJODSBLDBVZHMN-UHFFFAOYSA-N 1 2 296.286 2.173 20 5 CEBDLO CC(C)N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000078729879 177378077 /nfs/dbraw/zinc/37/80/77/177378077.db2.gz BTZSIYBNMVZNMY-UHFFFAOYSA-N 1 2 288.307 2.261 20 5 CEBDLO CCC[N@H+](CC(=O)NC)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000174863559 276249470 /nfs/dbraw/zinc/24/94/70/276249470.db2.gz XOVHGIAQRNFART-UHFFFAOYSA-N 1 2 299.758 2.206 20 5 CEBDLO CCC[N@@H+](CC(=O)NC)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000174863559 276249472 /nfs/dbraw/zinc/24/94/72/276249472.db2.gz XOVHGIAQRNFART-UHFFFAOYSA-N 1 2 299.758 2.206 20 5 CEBDLO COC(=O)[C@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000103481505 277389082 /nfs/dbraw/zinc/38/90/82/277389082.db2.gz DVYPGHLGMPMXJX-JTQLQIEISA-N 1 2 296.298 2.119 20 5 CEBDLO COC(=O)[C@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000103481505 277389083 /nfs/dbraw/zinc/38/90/83/277389083.db2.gz DVYPGHLGMPMXJX-JTQLQIEISA-N 1 2 296.298 2.119 20 5 CEBDLO CCN1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C(C)(C)C1=O ZINC000186538343 279364130 /nfs/dbraw/zinc/36/41/30/279364130.db2.gz FVTVAPBHYRZBIL-UHFFFAOYSA-N 1 2 291.351 2.038 20 5 CEBDLO CCN1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C(C)(C)C1=O ZINC000186538343 279364131 /nfs/dbraw/zinc/36/41/31/279364131.db2.gz FVTVAPBHYRZBIL-UHFFFAOYSA-N 1 2 291.351 2.038 20 5 CEBDLO C[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000141041126 280074788 /nfs/dbraw/zinc/07/47/88/280074788.db2.gz QEJXSCUJDSXOOL-SSDOTTSWSA-N 1 2 294.698 2.462 20 5 CEBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000456351008 289594073 /nfs/dbraw/zinc/59/40/73/289594073.db2.gz BBAPEYWRZUMAFD-QMMMGPOBSA-N 1 2 294.336 2.364 20 5 CEBDLO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1ncccn1 ZINC000577769517 314413258 /nfs/dbraw/zinc/41/32/58/314413258.db2.gz NTRUXSLFFWHZRB-GFCCVEGCSA-N 1 2 270.292 2.162 20 5 CEBDLO Cc1ccc([C@H](C)[NH2+]Cc2nccc(N)n2)cc1[N+](=O)[O-] ZINC000181829812 525930803 /nfs/dbraw/zinc/93/08/03/525930803.db2.gz HFENCRFUSIQDCR-JTQLQIEISA-N 1 2 287.323 2.126 20 5 CEBDLO O=[N+]([O-])c1ccccc1C[NH2+]Cc1cccc(F)n1 ZINC000747934435 575176897 /nfs/dbraw/zinc/17/68/97/575176897.db2.gz ATFLAXDUJZVZJN-UHFFFAOYSA-N 1 2 261.256 2.419 20 5 CEBDLO CCn1c[nH+]c2c1CCN(Cc1csc([N+](=O)[O-])c1)C2 ZINC000933261059 623567726 /nfs/dbraw/zinc/56/77/26/623567726.db2.gz ACKVNYBMOMZCIK-UHFFFAOYSA-N 1 2 292.364 2.431 20 5 CEBDLO C[N@@H+](Cc1nccs1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591997 628500226 /nfs/dbraw/zinc/50/02/26/628500226.db2.gz NXKBRONRKXUCCJ-GFCCVEGCSA-N 1 2 293.348 2.217 20 5 CEBDLO C[N@H+](Cc1nccs1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591997 628500231 /nfs/dbraw/zinc/50/02/31/628500231.db2.gz NXKBRONRKXUCCJ-GFCCVEGCSA-N 1 2 293.348 2.217 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000898183872 632098982 /nfs/dbraw/zinc/09/89/82/632098982.db2.gz OYAPOAGVTBPWJJ-GXTWGEPZSA-N 1 2 282.315 2.116 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000898183872 632098987 /nfs/dbraw/zinc/09/89/87/632098987.db2.gz OYAPOAGVTBPWJJ-GXTWGEPZSA-N 1 2 282.315 2.116 20 5 CEBDLO O=[N+]([O-])c1ccc(CO)c(-c2c[nH+]c3c(c2)CCCN3)c1 ZINC000906172756 636635153 /nfs/dbraw/zinc/63/51/53/636635153.db2.gz VHZYHQGSRMJFPN-UHFFFAOYSA-N 1 2 285.303 2.150 20 5 CEBDLO CCCOC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000058800328 639534307 /nfs/dbraw/zinc/53/43/07/639534307.db2.gz IULGNCYLSHWMBC-UHFFFAOYSA-N 1 2 275.264 2.347 20 5 CEBDLO C[C@H]1C[N@H+](CCNc2cccc(F)c2[N+](=O)[O-])[C@@H](C)CO1 ZINC000853798368 643903932 /nfs/dbraw/zinc/90/39/32/643903932.db2.gz DNWJBFKHSOHQIQ-QWRGUYRKSA-N 1 2 297.330 2.255 20 5 CEBDLO C[C@H]1C[N@@H+](CCNc2cccc(F)c2[N+](=O)[O-])[C@@H](C)CO1 ZINC000853798368 643903936 /nfs/dbraw/zinc/90/39/36/643903936.db2.gz DNWJBFKHSOHQIQ-QWRGUYRKSA-N 1 2 297.330 2.255 20 5 CEBDLO CCn1nncc1C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000858202741 645087438 /nfs/dbraw/zinc/08/74/38/645087438.db2.gz IIPUOXZSPKKWEF-UHFFFAOYSA-N 1 2 295.730 2.149 20 5 CEBDLO CCn1ncc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000858444273 645161988 /nfs/dbraw/zinc/16/19/88/645161988.db2.gz TWCCCPPKNJMATA-LLVKDONJSA-N 1 2 289.339 2.365 20 5 CEBDLO Cc1ccc(C[NH2+]Cc2cc3n(n2)CCC3)cc1[N+](=O)[O-] ZINC000865787723 647464702 /nfs/dbraw/zinc/46/47/02/647464702.db2.gz RVUPYBXEKBIIDJ-UHFFFAOYSA-N 1 2 286.335 2.336 20 5 CEBDLO O=[N+]([O-])c1cc(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)ccc1Cl ZINC000782620426 647645296 /nfs/dbraw/zinc/64/52/96/647645296.db2.gz UZARDGPSBJEJOO-MFKMUULPSA-N 1 2 282.727 2.062 20 5 CEBDLO O=[N+]([O-])c1cc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)ccc1Cl ZINC000782620426 647645299 /nfs/dbraw/zinc/64/52/99/647645299.db2.gz UZARDGPSBJEJOO-MFKMUULPSA-N 1 2 282.727 2.062 20 5 CEBDLO CC[C@H]1CC[N@@H+]1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000793823881 648801675 /nfs/dbraw/zinc/80/16/75/648801675.db2.gz PVEWLPRVQSCFOI-LBPRGKRZSA-N 1 2 287.323 2.295 20 5 CEBDLO CC[C@H]1CC[N@H+]1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000793823881 648801678 /nfs/dbraw/zinc/80/16/78/648801678.db2.gz PVEWLPRVQSCFOI-LBPRGKRZSA-N 1 2 287.323 2.295 20 5 CEBDLO CCO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872077455 649265463 /nfs/dbraw/zinc/26/54/63/649265463.db2.gz IPTQZAQMSQIKKA-UFGOTCBOSA-N 1 2 298.314 2.188 20 5 CEBDLO Cc1nonc1C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873196419 649584906 /nfs/dbraw/zinc/58/49/06/649584906.db2.gz MBSCKMUKXYORMC-UHFFFAOYSA-N 1 2 276.296 2.193 20 5 CEBDLO Cc1ccc(C[NH2+][C@H](C(N)=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000131328635 652416437 /nfs/dbraw/zinc/41/64/37/652416437.db2.gz SXLZGBSMBXBKLQ-HNNXBMFYSA-N 1 2 299.330 2.219 20 5 CEBDLO O=[N+]([O-])c1ccc(O)c(OC2CC[NH+](CCF)CC2)c1 ZINC001229395919 806479857 /nfs/dbraw/zinc/47/98/57/806479857.db2.gz NIOQQRNOQZQRPH-UHFFFAOYSA-N 1 2 284.287 2.113 20 5 CEBDLO O=[N+]([O-])c1ccnc(N2CCC(n3cc[nH+]c3)CC2)c1 ZINC001167123867 802511810 /nfs/dbraw/zinc/51/18/10/802511810.db2.gz MFGNDQZUNUGWAU-UHFFFAOYSA-N 1 2 273.296 2.028 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)c(F)c1 ZINC000715421102 814956547 /nfs/dbraw/zinc/95/65/47/814956547.db2.gz OMDDXWHPTSAJEJ-AOOOYVTPSA-N 1 2 272.226 2.431 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)c(F)c1 ZINC000715421102 814956550 /nfs/dbraw/zinc/95/65/50/814956550.db2.gz OMDDXWHPTSAJEJ-AOOOYVTPSA-N 1 2 272.226 2.431 20 5 CEBDLO C[C@](CO)([NH2+]Cc1cnsc1)c1cccc([N+](=O)[O-])c1 ZINC001179353113 816851246 /nfs/dbraw/zinc/85/12/46/816851246.db2.gz NKTTZCRIWWKBED-CYBMUJFWSA-N 1 2 293.348 2.049 20 5 CEBDLO Cc1ccc(NCC(C)(C)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000080533094 344013035 /nfs/dbraw/zinc/01/30/35/344013035.db2.gz YYJYZERWSGLJAT-UHFFFAOYSA-N 1 2 293.367 2.426 20 5 CEBDLO COCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000042228492 362070894 /nfs/dbraw/zinc/07/08/94/362070894.db2.gz QNEZOHKDTRKAKP-UHFFFAOYSA-N 1 2 258.705 2.326 20 5 CEBDLO COCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000042228492 362070904 /nfs/dbraw/zinc/07/09/04/362070904.db2.gz QNEZOHKDTRKAKP-UHFFFAOYSA-N 1 2 258.705 2.326 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000028984288 343398512 /nfs/dbraw/zinc/39/85/12/343398512.db2.gz LAQGCTKKEJEHSF-QWRGUYRKSA-N 1 2 280.324 2.213 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000028984288 343398514 /nfs/dbraw/zinc/39/85/14/343398514.db2.gz LAQGCTKKEJEHSF-QWRGUYRKSA-N 1 2 280.324 2.213 20 5 CEBDLO O=C(NCCCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])s1 ZINC000060408266 343658413 /nfs/dbraw/zinc/65/84/13/343658413.db2.gz PERGGGHFAPZLPI-UHFFFAOYSA-N 1 2 294.336 2.063 20 5 CEBDLO CC1(C)CC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC[S@]1=O ZINC000449574724 282289376 /nfs/dbraw/zinc/28/93/76/282289376.db2.gz YKMRCVGEFHCQBK-HXUWFJFHSA-N 1 2 296.392 2.328 20 5 CEBDLO CC1(C)CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC[S@]1=O ZINC000449574724 282289381 /nfs/dbraw/zinc/28/93/81/282289381.db2.gz YKMRCVGEFHCQBK-HXUWFJFHSA-N 1 2 296.392 2.328 20 5 CEBDLO O=[N+]([O-])c1cnccc1N1CCC(n2cc[nH+]c2)CC1 ZINC000066811478 343722382 /nfs/dbraw/zinc/72/23/82/343722382.db2.gz RMQRUMOZOUIKFM-UHFFFAOYSA-N 1 2 273.296 2.028 20 5 CEBDLO O=[N+]([O-])c1ccc(NCc2ccnc(-n3cc[nH+]c3)c2)nc1 ZINC000068320590 343761243 /nfs/dbraw/zinc/76/12/43/343761243.db2.gz OVWSBJIXWCTVBE-UHFFFAOYSA-N 1 2 296.290 2.183 20 5 CEBDLO Cc1cc([N+](=O)[O-])cnc1NCCNc1cccc[nH+]1 ZINC000076664638 343894434 /nfs/dbraw/zinc/89/44/34/343894434.db2.gz IOAKFXNLCUYWGQ-UHFFFAOYSA-N 1 2 273.296 2.217 20 5 CEBDLO COc1cc(F)c([N+](=O)[O-])c(NCCCn2cc[nH+]c2)c1 ZINC000091424749 344162456 /nfs/dbraw/zinc/16/24/56/344162456.db2.gz PHNGQIPEBPQDAA-UHFFFAOYSA-N 1 2 294.286 2.441 20 5 CEBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000092427300 344188520 /nfs/dbraw/zinc/18/85/20/344188520.db2.gz HFMPLDRPGJELHF-ZDUSSCGKSA-N 1 2 280.324 2.301 20 5 CEBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000092427300 344188522 /nfs/dbraw/zinc/18/85/22/344188522.db2.gz HFMPLDRPGJELHF-ZDUSSCGKSA-N 1 2 280.324 2.301 20 5 CEBDLO CC1(C)C[N@H+](CCNc2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000170640492 344487395 /nfs/dbraw/zinc/48/73/95/344487395.db2.gz MMLJIVMPUMYNCE-UHFFFAOYSA-N 1 2 297.330 2.257 20 5 CEBDLO CC1(C)C[N@@H+](CCNc2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000170640492 344487397 /nfs/dbraw/zinc/48/73/97/344487397.db2.gz MMLJIVMPUMYNCE-UHFFFAOYSA-N 1 2 297.330 2.257 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@@H+](CCO)C2CC2)c(Cl)c1 ZINC000050104125 362400640 /nfs/dbraw/zinc/40/06/40/362400640.db2.gz RBUIWJHVIJHZPQ-UHFFFAOYSA-N 1 2 270.716 2.205 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@H+](CCO)C2CC2)c(Cl)c1 ZINC000050104125 362400645 /nfs/dbraw/zinc/40/06/45/362400645.db2.gz RBUIWJHVIJHZPQ-UHFFFAOYSA-N 1 2 270.716 2.205 20 5 CEBDLO CCn1cc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)nn1 ZINC000404473187 344880834 /nfs/dbraw/zinc/88/08/34/344880834.db2.gz NLMJWSLRHSJSOG-NSHDSACASA-N 1 2 289.339 2.365 20 5 CEBDLO C[C@H]1C[C@@H](Nc2cccnc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000590723736 345168630 /nfs/dbraw/zinc/16/86/30/345168630.db2.gz TUOYYZZAYMGSDE-WCBMZHEXSA-N 1 2 259.269 2.304 20 5 CEBDLO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCc2[nH+]c[nH]c2C1 ZINC000590598811 345149229 /nfs/dbraw/zinc/14/92/29/345149229.db2.gz BMOFNCSIDDTUON-SNVBAGLBSA-N 1 2 272.308 2.437 20 5 CEBDLO CC1(C)CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@@H]1O ZINC000591159725 345226836 /nfs/dbraw/zinc/22/68/36/345226836.db2.gz ZLCLCVNFNDLYBV-ZDUSSCGKSA-N 1 2 287.319 2.350 20 5 CEBDLO C[C@H]1C[C@@H](O)CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000591165598 345227331 /nfs/dbraw/zinc/22/73/31/345227331.db2.gz LWXPMKXBBVGUAF-GXFFZTMASA-N 1 2 287.319 2.350 20 5 CEBDLO CCn1ccc(C[N@H+](C)Cc2onc(C)c2[N+](=O)[O-])c1 ZINC000595456989 345787803 /nfs/dbraw/zinc/78/78/03/345787803.db2.gz ZOGLQSRZHCZTEO-UHFFFAOYSA-N 1 2 278.312 2.345 20 5 CEBDLO CCn1ccc(C[N@@H+](C)Cc2onc(C)c2[N+](=O)[O-])c1 ZINC000595456989 345787806 /nfs/dbraw/zinc/78/78/06/345787806.db2.gz ZOGLQSRZHCZTEO-UHFFFAOYSA-N 1 2 278.312 2.345 20 5 CEBDLO Cc1cc(N[C@@H](C)[C@H](C)[NH+]2CCOCC2)c([N+](=O)[O-])s1 ZINC000596113944 345942738 /nfs/dbraw/zinc/94/27/38/345942738.db2.gz FPLGLFBITAEEBA-QWRGUYRKSA-N 1 2 299.396 2.486 20 5 CEBDLO COC[C@H](CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-])OC ZINC000599065709 346455146 /nfs/dbraw/zinc/45/51/46/346455146.db2.gz MEVDDWACWPVWNX-NSHDSACASA-N 1 2 291.307 2.216 20 5 CEBDLO O=[N+]([O-])c1c(N[C@H]2[C@@H]3COC[C@@H]32)ccc2c[nH+]ccc21 ZINC000599071246 346455955 /nfs/dbraw/zinc/45/59/55/346455955.db2.gz SIMIRVISRKCLLT-PJXYFTJBSA-N 1 2 271.276 2.200 20 5 CEBDLO COC(=O)[C@@H](CC1CC1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602695946 347152748 /nfs/dbraw/zinc/15/27/48/347152748.db2.gz PDTGJDOZIQBFRL-CQSZACIVSA-N 1 2 292.335 2.069 20 5 CEBDLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000602845828 347222350 /nfs/dbraw/zinc/22/23/50/347222350.db2.gz CFOYAYMMXIOOLX-GRYCIOLGSA-N 1 2 291.351 2.034 20 5 CEBDLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000602845828 347222351 /nfs/dbraw/zinc/22/23/51/347222351.db2.gz CFOYAYMMXIOOLX-GRYCIOLGSA-N 1 2 291.351 2.034 20 5 CEBDLO COC(=O)C12CCC(CC1)[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC000602983832 347267038 /nfs/dbraw/zinc/26/70/38/347267038.db2.gz VCUAVMFGMHQGOA-UHFFFAOYSA-N 1 2 290.319 2.265 20 5 CEBDLO COC(=O)C12CCC(CC1)[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC000602983832 347267042 /nfs/dbraw/zinc/26/70/42/347267042.db2.gz VCUAVMFGMHQGOA-UHFFFAOYSA-N 1 2 290.319 2.265 20 5 CEBDLO COC[C@@H]1CC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000339293779 215074179 /nfs/dbraw/zinc/07/41/79/215074179.db2.gz PKAOGKRTQBCBTJ-NSHDSACASA-N 1 2 270.716 2.469 20 5 CEBDLO COC[C@@H]1CC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000339293779 215074181 /nfs/dbraw/zinc/07/41/81/215074181.db2.gz PKAOGKRTQBCBTJ-NSHDSACASA-N 1 2 270.716 2.469 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC12CCC2 ZINC000610433303 347681221 /nfs/dbraw/zinc/68/12/21/347681221.db2.gz QLFPPLMPLTZZFA-UHFFFAOYSA-N 1 2 289.335 2.470 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC12CCC2 ZINC000610433303 347681224 /nfs/dbraw/zinc/68/12/24/347681224.db2.gz QLFPPLMPLTZZFA-UHFFFAOYSA-N 1 2 289.335 2.470 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]21 ZINC000610762454 347712265 /nfs/dbraw/zinc/71/22/65/347712265.db2.gz FIQCKJITGYBQAU-SMDDNHRTSA-N 1 2 289.335 2.326 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]21 ZINC000610762454 347712266 /nfs/dbraw/zinc/71/22/66/347712266.db2.gz FIQCKJITGYBQAU-SMDDNHRTSA-N 1 2 289.335 2.326 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@H]2CCC[C@@H]21 ZINC000610762779 347712978 /nfs/dbraw/zinc/71/29/78/347712978.db2.gz UZHQNUFCVIMSIE-NEPJUHHUSA-N 1 2 289.335 2.326 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@H]2CCC[C@@H]21 ZINC000610762779 347712979 /nfs/dbraw/zinc/71/29/79/347712979.db2.gz UZHQNUFCVIMSIE-NEPJUHHUSA-N 1 2 289.335 2.326 20 5 CEBDLO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000610276474 347668244 /nfs/dbraw/zinc/66/82/44/347668244.db2.gz ZAEQHJPLXFCYMJ-GFCCVEGCSA-N 1 2 287.323 2.336 20 5 CEBDLO O=[N+]([O-])c1ccccc1C=CC[N@@H+]1CCc2cn[nH]c2C1 ZINC000611273686 347761992 /nfs/dbraw/zinc/76/19/92/347761992.db2.gz QPHLCBSBYJWKJX-HWKANZROSA-N 1 2 284.319 2.389 20 5 CEBDLO O=[N+]([O-])c1ccccc1C=CC[N@H+]1CCc2cn[nH]c2C1 ZINC000611273686 347761993 /nfs/dbraw/zinc/76/19/93/347761993.db2.gz QPHLCBSBYJWKJX-HWKANZROSA-N 1 2 284.319 2.389 20 5 CEBDLO COc1ccc(NCc2ccc([N+](=O)[O-])cc2C)[nH+]c1 ZINC000612580865 347903556 /nfs/dbraw/zinc/90/35/56/347903556.db2.gz XLUKRBBUWFBTIE-UHFFFAOYSA-N 1 2 273.292 2.341 20 5 CEBDLO Cn1c[nH+]cc1CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000357602603 233106235 /nfs/dbraw/zinc/10/62/35/233106235.db2.gz NHOISFDCAHWSHC-UHFFFAOYSA-N 1 2 283.291 2.489 20 5 CEBDLO Cc1cc([N+](=O)[O-])cnc1NCc1ccc[nH+]c1N(C)C ZINC000108349521 186212721 /nfs/dbraw/zinc/21/27/21/186212721.db2.gz XJXXQPCETZBAEN-UHFFFAOYSA-N 1 2 287.323 2.371 20 5 CEBDLO Cc1cc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])ncn1 ZINC000292154261 198183935 /nfs/dbraw/zinc/18/39/35/198183935.db2.gz JTDYTDQHJQUQRH-UHFFFAOYSA-N 1 2 272.308 2.325 20 5 CEBDLO Cc1cc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])ncn1 ZINC000292154261 198183936 /nfs/dbraw/zinc/18/39/36/198183936.db2.gz JTDYTDQHJQUQRH-UHFFFAOYSA-N 1 2 272.308 2.325 20 5 CEBDLO C[C@H]1OCC[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000156181564 188247616 /nfs/dbraw/zinc/24/76/16/188247616.db2.gz UMFRGDFIMPESGH-WDEREUQCSA-N 1 2 250.298 2.204 20 5 CEBDLO C[C@H]1OCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000156181564 188247617 /nfs/dbraw/zinc/24/76/17/188247617.db2.gz UMFRGDFIMPESGH-WDEREUQCSA-N 1 2 250.298 2.204 20 5 CEBDLO CCC[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000132393062 366140585 /nfs/dbraw/zinc/14/05/85/366140585.db2.gz JXJGLXXTVFJFCY-CYBMUJFWSA-N 1 2 294.351 2.475 20 5 CEBDLO CCC[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000132393062 366140589 /nfs/dbraw/zinc/14/05/89/366140589.db2.gz JXJGLXXTVFJFCY-CYBMUJFWSA-N 1 2 294.351 2.475 20 5 CEBDLO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3cnn[nH]3)C2)cc1 ZINC000451551769 283031983 /nfs/dbraw/zinc/03/19/83/283031983.db2.gz VEWPWVFVIYSTAL-GFCCVEGCSA-N 1 2 287.323 2.093 20 5 CEBDLO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](Cc3cnn[nH]3)C2)cc1 ZINC000451551769 283031984 /nfs/dbraw/zinc/03/19/84/283031984.db2.gz VEWPWVFVIYSTAL-GFCCVEGCSA-N 1 2 287.323 2.093 20 5 CEBDLO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3c[nH]nn3)C2)cc1 ZINC000451551769 283031987 /nfs/dbraw/zinc/03/19/87/283031987.db2.gz VEWPWVFVIYSTAL-GFCCVEGCSA-N 1 2 287.323 2.093 20 5 CEBDLO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](Cc3c[nH]nn3)C2)cc1 ZINC000451551769 283031989 /nfs/dbraw/zinc/03/19/89/283031989.db2.gz VEWPWVFVIYSTAL-GFCCVEGCSA-N 1 2 287.323 2.093 20 5 CEBDLO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3cn[nH]n3)C2)cc1 ZINC000451551769 283031991 /nfs/dbraw/zinc/03/19/91/283031991.db2.gz VEWPWVFVIYSTAL-GFCCVEGCSA-N 1 2 287.323 2.093 20 5 CEBDLO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](Cc3cn[nH]n3)C2)cc1 ZINC000451551769 283031994 /nfs/dbraw/zinc/03/19/94/283031994.db2.gz VEWPWVFVIYSTAL-GFCCVEGCSA-N 1 2 287.323 2.093 20 5 CEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC2(CC2)C1 ZINC000452270468 283237035 /nfs/dbraw/zinc/23/70/35/283237035.db2.gz FURSHGYNIPAWQG-UHFFFAOYSA-N 1 2 298.302 2.017 20 5 CEBDLO O=C(Nc1c[nH+]c2n1CCCC2)c1csc([N+](=O)[O-])c1 ZINC000452335904 283259172 /nfs/dbraw/zinc/25/91/72/283259172.db2.gz SLECJMLZFFXTDN-UHFFFAOYSA-N 1 2 292.320 2.441 20 5 CEBDLO CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000140456442 366560081 /nfs/dbraw/zinc/56/00/81/366560081.db2.gz HSGZGFTZLIILJC-NSHDSACASA-N 1 2 274.280 2.199 20 5 CEBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cnccn1 ZINC000080965923 363691186 /nfs/dbraw/zinc/69/11/86/363691186.db2.gz QNJYYRAFUCSZHH-UHFFFAOYSA-N 1 2 258.281 2.017 20 5 CEBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cnccn1 ZINC000080965923 363691190 /nfs/dbraw/zinc/69/11/90/363691190.db2.gz QNJYYRAFUCSZHH-UHFFFAOYSA-N 1 2 258.281 2.017 20 5 CEBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@@](F)(CO)C1 ZINC000338998935 366606089 /nfs/dbraw/zinc/60/60/89/366606089.db2.gz INBHXWNIQFRRNW-KQIUPUNMSA-N 1 2 280.299 2.014 20 5 CEBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338998935 366606098 /nfs/dbraw/zinc/60/60/98/366606098.db2.gz INBHXWNIQFRRNW-KQIUPUNMSA-N 1 2 280.299 2.014 20 5 CEBDLO Cc1cc(NCC[N@@H+]2CCO[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000581641073 366804106 /nfs/dbraw/zinc/80/41/06/366804106.db2.gz OMXKRFIUZHZHAR-NSHDSACASA-N 1 2 297.330 2.175 20 5 CEBDLO Cc1cc(NCC[N@H+]2CCO[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000581641073 366804108 /nfs/dbraw/zinc/80/41/08/366804108.db2.gz OMXKRFIUZHZHAR-NSHDSACASA-N 1 2 297.330 2.175 20 5 CEBDLO O=[N+]([O-])c1cccnc1NCc1cccnc1-n1cc[nH+]c1 ZINC000029585153 361686203 /nfs/dbraw/zinc/68/62/03/361686203.db2.gz ATEPZVBNMJQJMN-UHFFFAOYSA-N 1 2 296.290 2.183 20 5 CEBDLO Cc1ncc([N+](=O)[O-])n1Cc1cn2cc(Cl)ccc2[nH+]1 ZINC000102847156 364613390 /nfs/dbraw/zinc/61/33/90/364613390.db2.gz JZZPTQGDCYYHLW-UHFFFAOYSA-N 1 2 291.698 2.449 20 5 CEBDLO C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1c(F)cccc1F ZINC000341282109 367265190 /nfs/dbraw/zinc/26/51/90/367265190.db2.gz KAXOXRHXNHCMCP-MRVPVSSYSA-N 1 2 296.277 2.457 20 5 CEBDLO Cc1[nH]c(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c[nH+]1 ZINC000341366467 367306103 /nfs/dbraw/zinc/30/61/03/367306103.db2.gz HMMQEESUOOBTCI-UHFFFAOYSA-N 1 2 294.698 2.210 20 5 CEBDLO CCCCC[N@H+](CC(N)=O)Cc1ccccc1[N+](=O)[O-] ZINC000183036740 368606324 /nfs/dbraw/zinc/60/63/24/368606324.db2.gz AYYKJIVQTFDRRV-UHFFFAOYSA-N 1 2 279.340 2.072 20 5 CEBDLO CCCCC[N@@H+](CC(N)=O)Cc1ccccc1[N+](=O)[O-] ZINC000183036740 368606329 /nfs/dbraw/zinc/60/63/29/368606329.db2.gz AYYKJIVQTFDRRV-UHFFFAOYSA-N 1 2 279.340 2.072 20 5 CEBDLO O=[N+]([O-])c1ccnn1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000187899228 369245774 /nfs/dbraw/zinc/24/57/74/369245774.db2.gz RFZZABAYGJQZLE-UHFFFAOYSA-N 1 2 269.264 2.025 20 5 CEBDLO COc1cc(C[NH2+][C@@H](C)c2ccon2)ccc1[N+](=O)[O-] ZINC000349241437 369276610 /nfs/dbraw/zinc/27/66/10/369276610.db2.gz NGAWPDBYJPEAJY-VIFPVBQESA-N 1 2 277.280 2.442 20 5 CEBDLO CCc1c[nH+]ccc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000358285852 370993497 /nfs/dbraw/zinc/99/34/97/370993497.db2.gz NSWPMGWOEBPOSX-UHFFFAOYSA-N 1 2 289.266 2.366 20 5 CEBDLO CCOC(=O)C[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255029598 371549887 /nfs/dbraw/zinc/54/98/87/371549887.db2.gz HSAPVZOCCSYEGV-VURMDHGXSA-N 1 2 278.308 2.103 20 5 CEBDLO CCOC(=O)C[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255029598 371549893 /nfs/dbraw/zinc/54/98/93/371549893.db2.gz HSAPVZOCCSYEGV-VURMDHGXSA-N 1 2 278.308 2.103 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(NC[C@@H](C)Cn2cc[nH+]c2)n1 ZINC000268870221 372263934 /nfs/dbraw/zinc/26/39/34/372263934.db2.gz DAGUJRWJKRENDF-SNVBAGLBSA-N 1 2 275.312 2.243 20 5 CEBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](Cc3cscn3)C2)c1 ZINC000369008720 373312227 /nfs/dbraw/zinc/31/22/27/373312227.db2.gz LJAKNCJOCLQXHI-NSHDSACASA-N 1 2 293.352 2.085 20 5 CEBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](Cc3cscn3)C2)c1 ZINC000369008720 373312235 /nfs/dbraw/zinc/31/22/35/373312235.db2.gz LJAKNCJOCLQXHI-NSHDSACASA-N 1 2 293.352 2.085 20 5 CEBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H]2c2ccccc2F)c1 ZINC000372725793 374185413 /nfs/dbraw/zinc/18/54/13/374185413.db2.gz IOKQYNWVRWOQPT-CQSZACIVSA-N 1 2 290.298 2.377 20 5 CEBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H]2c2ccccc2F)c1 ZINC000372725793 374185419 /nfs/dbraw/zinc/18/54/19/374185419.db2.gz IOKQYNWVRWOQPT-CQSZACIVSA-N 1 2 290.298 2.377 20 5 CEBDLO CCOC(=O)[C@@H](C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282343621 375461311 /nfs/dbraw/zinc/46/13/11/375461311.db2.gz CAWJRLYPYFKRBP-LLVKDONJSA-N 1 2 280.324 2.021 20 5 CEBDLO CCOC(=O)[C@@H](C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282343621 375461316 /nfs/dbraw/zinc/46/13/16/375461316.db2.gz CAWJRLYPYFKRBP-LLVKDONJSA-N 1 2 280.324 2.021 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC[C@H]2C2CC2)cc1F ZINC000283123930 375661023 /nfs/dbraw/zinc/66/10/23/375661023.db2.gz NBXJNQFYVAHYNO-AWEZNQCLSA-N 1 2 280.299 2.345 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCOC[C@H]2C2CC2)cc1F ZINC000283123930 375661028 /nfs/dbraw/zinc/66/10/28/375661028.db2.gz NBXJNQFYVAHYNO-AWEZNQCLSA-N 1 2 280.299 2.345 20 5 CEBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338629221 296240422 /nfs/dbraw/zinc/24/04/22/296240422.db2.gz YIDUHLWPHQEAFL-GWCFXTLKSA-N 1 2 268.288 2.062 20 5 CEBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@](F)(CO)C1 ZINC000338629221 296240424 /nfs/dbraw/zinc/24/04/24/296240424.db2.gz YIDUHLWPHQEAFL-GWCFXTLKSA-N 1 2 268.288 2.062 20 5 CEBDLO Cc1ccc(CCNc2ccc([N+](=O)[O-])nc2)c[nH+]1 ZINC000558199993 376598503 /nfs/dbraw/zinc/59/85/03/376598503.db2.gz HNSBDSWNKPINBA-UHFFFAOYSA-N 1 2 258.281 2.348 20 5 CEBDLO C[C@H]1COC(C)(C)C[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330464517 377147532 /nfs/dbraw/zinc/14/75/32/377147532.db2.gz UZJNLTVCGJWMLD-JTQLQIEISA-N 1 2 280.324 2.300 20 5 CEBDLO C[C@H]1COC(C)(C)C[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330464517 377147539 /nfs/dbraw/zinc/14/75/39/377147539.db2.gz UZJNLTVCGJWMLD-JTQLQIEISA-N 1 2 280.324 2.300 20 5 CEBDLO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330566912 377188073 /nfs/dbraw/zinc/18/80/73/377188073.db2.gz AWDNRHYBQIIYAD-NXEZZACHSA-N 1 2 293.323 2.436 20 5 CEBDLO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330566912 377188079 /nfs/dbraw/zinc/18/80/79/377188079.db2.gz AWDNRHYBQIIYAD-NXEZZACHSA-N 1 2 293.323 2.436 20 5 CEBDLO Cn1c[nH+]c(CCNc2c(F)cccc2[N+](=O)[O-])c1 ZINC000313472082 249396647 /nfs/dbraw/zinc/39/66/47/249396647.db2.gz MFCFCFNAVYLOQX-UHFFFAOYSA-N 1 2 264.260 2.122 20 5 CEBDLO COc1cc[nH+]cc1CNc1nccc(C)c1[N+](=O)[O-] ZINC000431406712 377636406 /nfs/dbraw/zinc/63/64/06/377636406.db2.gz VMKNOKKDYQNFST-UHFFFAOYSA-N 1 2 274.280 2.314 20 5 CEBDLO O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1CC2(C1)CCOC2 ZINC000294150075 377920620 /nfs/dbraw/zinc/92/06/20/377920620.db2.gz VJFHQIQFOVSIRI-UHFFFAOYSA-N 1 2 282.727 2.471 20 5 CEBDLO C[C@@H](NC(=O)CCn1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000299628152 379078541 /nfs/dbraw/zinc/07/85/41/379078541.db2.gz GDMJEHACBGRITG-LLVKDONJSA-N 1 2 288.307 2.059 20 5 CEBDLO CC[C@H](C)[N@H+](CC(=O)OC)Cc1cccc([N+](=O)[O-])c1 ZINC000281433735 195238809 /nfs/dbraw/zinc/23/88/09/195238809.db2.gz ZSUSFOPKAFKYDF-NSHDSACASA-N 1 2 280.324 2.368 20 5 CEBDLO CC[C@H](C)[N@@H+](CC(=O)OC)Cc1cccc([N+](=O)[O-])c1 ZINC000281433735 195238811 /nfs/dbraw/zinc/23/88/11/195238811.db2.gz ZSUSFOPKAFKYDF-NSHDSACASA-N 1 2 280.324 2.368 20 5 CEBDLO CC(C)(C)n1cc(C[NH2+]Cc2ccccc2[N+](=O)[O-])nn1 ZINC000189952894 130043170 /nfs/dbraw/zinc/04/31/70/130043170.db2.gz YNVAVZHJFKYDOV-UHFFFAOYSA-N 1 2 289.339 2.231 20 5 CEBDLO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000421034013 394474776 /nfs/dbraw/zinc/47/47/76/394474776.db2.gz YDDHHDOBKLSQIH-PSASIEDQSA-N 1 2 286.278 2.218 20 5 CEBDLO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000421034013 394474778 /nfs/dbraw/zinc/47/47/78/394474778.db2.gz YDDHHDOBKLSQIH-PSASIEDQSA-N 1 2 286.278 2.218 20 5 CEBDLO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000072953459 394602508 /nfs/dbraw/zinc/60/25/08/394602508.db2.gz RRWFQELHDPMZFQ-NSHDSACASA-N 1 2 297.318 2.488 20 5 CEBDLO COC(=O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000274986777 394803819 /nfs/dbraw/zinc/80/38/19/394803819.db2.gz NGVRUWNPDUBJLA-BXUZGUMPSA-N 1 2 292.335 2.368 20 5 CEBDLO COC(=O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000274986777 394803821 /nfs/dbraw/zinc/80/38/21/394803821.db2.gz NGVRUWNPDUBJLA-BXUZGUMPSA-N 1 2 292.335 2.368 20 5 CEBDLO C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ncnn1C ZINC000276626894 394814063 /nfs/dbraw/zinc/81/40/63/394814063.db2.gz NMWVVVVFSHUAEX-NXEZZACHSA-N 1 2 275.312 2.135 20 5 CEBDLO O=[N+]([O-])c1ccc(N2CCC(c3c[nH]c[nH+]3)CC2)nc1 ZINC000364403618 394899011 /nfs/dbraw/zinc/89/90/11/394899011.db2.gz MYXNIALDGMJHGL-UHFFFAOYSA-N 1 2 273.296 2.097 20 5 CEBDLO O=[N+]([O-])c1ccc(N2CCC(c3c[nH+]c[nH]3)CC2)nc1 ZINC000364403618 394899016 /nfs/dbraw/zinc/89/90/16/394899016.db2.gz MYXNIALDGMJHGL-UHFFFAOYSA-N 1 2 273.296 2.097 20 5 CEBDLO COc1cc(N(C)Cc2[nH]cc[nH+]2)c([N+](=O)[O-])cc1F ZINC000428130060 395137565 /nfs/dbraw/zinc/13/75/65/395137565.db2.gz IZNOUHJWYGXDJF-UHFFFAOYSA-N 1 2 280.259 2.102 20 5 CEBDLO C[C@H](NCC1([NH+](C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000397962610 395230686 /nfs/dbraw/zinc/23/06/86/395230686.db2.gz DYUTVPXJYIWFCR-NSHDSACASA-N 1 2 263.341 2.340 20 5 CEBDLO CC(C)c1ccc(C(=O)NCc2c[nH+]c[nH]2)cc1[N+](=O)[O-] ZINC000439523487 395274287 /nfs/dbraw/zinc/27/42/87/395274287.db2.gz XSNJJYBXDYEATG-UHFFFAOYSA-N 1 2 288.307 2.371 20 5 CEBDLO CC(C)c1ccc(C(=O)NCc2c[nH]c[nH+]2)cc1[N+](=O)[O-] ZINC000439523487 395274293 /nfs/dbraw/zinc/27/42/93/395274293.db2.gz XSNJJYBXDYEATG-UHFFFAOYSA-N 1 2 288.307 2.371 20 5 CEBDLO O=[N+]([O-])c1cn(Cc2[nH+]ccn2C(F)F)nc1C1CC1 ZINC000195048589 395457372 /nfs/dbraw/zinc/45/73/72/395457372.db2.gz DYIFFCJRYFMYGP-UHFFFAOYSA-N 1 2 283.238 2.309 20 5 CEBDLO C[C@@H]1COCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000446895971 395501395 /nfs/dbraw/zinc/50/13/95/395501395.db2.gz HMARWGRTUPIJJM-TXNVCOODSA-N 1 2 262.309 2.329 20 5 CEBDLO C[C@@H]1COCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000446895971 395501398 /nfs/dbraw/zinc/50/13/98/395501398.db2.gz HMARWGRTUPIJJM-TXNVCOODSA-N 1 2 262.309 2.329 20 5 CEBDLO C[C@@H]1COC[C@H](C)[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000077367182 177258301 /nfs/dbraw/zinc/25/83/01/177258301.db2.gz BKALZQXHWPAEGR-PHIMTYICSA-N 1 2 250.298 2.204 20 5 CEBDLO C[C@@H]1COC[C@H](C)[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000077367182 177258303 /nfs/dbraw/zinc/25/83/03/177258303.db2.gz BKALZQXHWPAEGR-PHIMTYICSA-N 1 2 250.298 2.204 20 5 CEBDLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])[nH]1 ZINC000392378304 270340562 /nfs/dbraw/zinc/34/05/62/270340562.db2.gz QDOLVGFPVGMTBU-DTWKUNHWSA-N 1 2 275.312 2.433 20 5 CEBDLO Cc1cc(CNC(=O)Cc2cccc([N+](=O)[O-])c2)cc(C)[nH+]1 ZINC000421581231 270640412 /nfs/dbraw/zinc/64/04/12/270640412.db2.gz XWZFQJDPJXFSSL-UHFFFAOYSA-N 1 2 299.330 2.466 20 5 CEBDLO Cc1nc(N2CCOc3ccc([N+](=O)[O-])cc3C2)cc[nH+]1 ZINC000357817565 279165321 /nfs/dbraw/zinc/16/53/21/279165321.db2.gz ZODRDDQHMPQOCM-UHFFFAOYSA-N 1 2 286.291 2.092 20 5 CEBDLO CCCNC(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135239686 280040271 /nfs/dbraw/zinc/04/02/71/280040271.db2.gz UUDAVEJXBWGWGQ-UHFFFAOYSA-N 1 2 291.351 2.085 20 5 CEBDLO CCCNC(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135239686 280040273 /nfs/dbraw/zinc/04/02/73/280040273.db2.gz UUDAVEJXBWGWGQ-UHFFFAOYSA-N 1 2 291.351 2.085 20 5 CEBDLO CC(C)(C)OC(=O)C1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000459593107 290189144 /nfs/dbraw/zinc/18/91/44/290189144.db2.gz NHKSKLVOCQFUQK-UHFFFAOYSA-N 1 2 292.335 2.368 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccn(C)n1 ZINC000459776745 290235645 /nfs/dbraw/zinc/23/56/45/290235645.db2.gz LAGDHAPXNXJKMC-SNVBAGLBSA-N 1 2 290.323 2.188 20 5 CEBDLO Cc1sc(C(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000408071426 294072110 /nfs/dbraw/zinc/07/21/10/294072110.db2.gz PNBGDSGVOZMNLK-DTWKUNHWSA-N 1 2 297.380 2.129 20 5 CEBDLO Cc1sc(C(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000408071426 294072111 /nfs/dbraw/zinc/07/21/11/294072111.db2.gz PNBGDSGVOZMNLK-DTWKUNHWSA-N 1 2 297.380 2.129 20 5 CEBDLO O=[N+]([O-])c1cccnc1N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000267222129 304810693 /nfs/dbraw/zinc/81/06/93/304810693.db2.gz DEAFKUHTTBQXGH-SNVBAGLBSA-N 1 2 273.296 2.445 20 5 CEBDLO Cc1ccc(NCC[N@@H+]2CCO[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000531332766 313322278 /nfs/dbraw/zinc/32/22/78/313322278.db2.gz GBSIDQVZQUIRMZ-LBPRGKRZSA-N 1 2 279.340 2.036 20 5 CEBDLO Cc1ccc(NCC[N@H+]2CCO[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000531332766 313322280 /nfs/dbraw/zinc/32/22/80/313322280.db2.gz GBSIDQVZQUIRMZ-LBPRGKRZSA-N 1 2 279.340 2.036 20 5 CEBDLO C[C@]1([NH3+])CCCC[C@@H]1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000576940868 314325438 /nfs/dbraw/zinc/32/54/38/314325438.db2.gz HGXHHXUJTRIDIG-YGRLFVJLSA-N 1 2 293.323 2.147 20 5 CEBDLO CCn1cc[nH+]c1CNc1cc(OC)ccc1[N+](=O)[O-] ZINC000385571386 321860777 /nfs/dbraw/zinc/86/07/77/321860777.db2.gz ZUQNTBVRXBQXEK-UHFFFAOYSA-N 1 2 276.296 2.432 20 5 CEBDLO Cc1nnc([C@@H](C)[N@H+](C)CCc2ccccc2[N+](=O)[O-])[nH]1 ZINC000411723521 534535155 /nfs/dbraw/zinc/53/51/55/534535155.db2.gz SNZMIXVPPZQWOS-SNVBAGLBSA-N 1 2 289.339 2.257 20 5 CEBDLO Cc1nnc([C@@H](C)[N@@H+](C)CCc2ccccc2[N+](=O)[O-])[nH]1 ZINC000411723521 534535163 /nfs/dbraw/zinc/53/51/63/534535163.db2.gz SNZMIXVPPZQWOS-SNVBAGLBSA-N 1 2 289.339 2.257 20 5 CEBDLO COC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000049573341 523166112 /nfs/dbraw/zinc/16/61/12/523166112.db2.gz LIMLXVODUWSINA-UHFFFAOYSA-N 1 2 280.324 2.287 20 5 CEBDLO COC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000049573341 523166119 /nfs/dbraw/zinc/16/61/19/523166119.db2.gz LIMLXVODUWSINA-UHFFFAOYSA-N 1 2 280.324 2.287 20 5 CEBDLO O=[N+]([O-])c1ccc(NCc2cccnc2-n2cc[nH+]c2)cn1 ZINC000735486662 574759336 /nfs/dbraw/zinc/75/93/36/574759336.db2.gz GKANNYRYWASCJP-UHFFFAOYSA-N 1 2 296.290 2.183 20 5 CEBDLO C[C@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000932334292 622585925 /nfs/dbraw/zinc/58/59/25/622585925.db2.gz FITPHTQUUSGXIU-JTQLQIEISA-N 1 2 268.288 2.345 20 5 CEBDLO C[C@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000932334292 622585931 /nfs/dbraw/zinc/58/59/31/622585931.db2.gz FITPHTQUUSGXIU-JTQLQIEISA-N 1 2 268.288 2.345 20 5 CEBDLO COc1c(O)ccc(C[N@@H+]2CCSC[C@@H]2C)c1[N+](=O)[O-] ZINC000892046485 624273388 /nfs/dbraw/zinc/27/33/88/624273388.db2.gz RGJKLANQNZQSJR-VIFPVBQESA-N 1 2 298.364 2.246 20 5 CEBDLO COc1c(O)ccc(C[N@H+]2CCSC[C@@H]2C)c1[N+](=O)[O-] ZINC000892046485 624273391 /nfs/dbraw/zinc/27/33/91/624273391.db2.gz RGJKLANQNZQSJR-VIFPVBQESA-N 1 2 298.364 2.246 20 5 CEBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1CCC(=O)O1 ZINC000821391908 634708396 /nfs/dbraw/zinc/70/83/96/634708396.db2.gz SLQGNFBMWUMSRY-NSHDSACASA-N 1 2 298.726 2.386 20 5 CEBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1CCC(=O)O1 ZINC000821391908 634708398 /nfs/dbraw/zinc/70/83/98/634708398.db2.gz SLQGNFBMWUMSRY-NSHDSACASA-N 1 2 298.726 2.386 20 5 CEBDLO COCC1C[NH+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000895970184 630423578 /nfs/dbraw/zinc/42/35/78/630423578.db2.gz FFTIYYUNLBYQBL-UHFFFAOYSA-N 1 2 270.716 2.326 20 5 CEBDLO CC[C@@H](C)[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)C(=O)OC ZINC000905762241 636447875 /nfs/dbraw/zinc/44/78/75/636447875.db2.gz LZPAVMJYAOQWMW-RISCZKNCSA-N 1 2 294.351 2.315 20 5 CEBDLO Cc1nn(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)c(C)c1[N+](=O)[O-] ZINC000844760347 640829910 /nfs/dbraw/zinc/82/99/10/640829910.db2.gz QIWCAWNBPUSUGN-LLVKDONJSA-N 1 2 286.282 2.097 20 5 CEBDLO Cc1nn(C[N@H+]2CC[C@@]3(CC3(F)F)C2)c(C)c1[N+](=O)[O-] ZINC000844760347 640829914 /nfs/dbraw/zinc/82/99/14/640829914.db2.gz QIWCAWNBPUSUGN-LLVKDONJSA-N 1 2 286.282 2.097 20 5 CEBDLO Cc1nn(C[N@@H+]2CCC[C@@H](OC3CCC3)C2)cc1[N+](=O)[O-] ZINC000848496496 642014307 /nfs/dbraw/zinc/01/43/07/642014307.db2.gz DINGKASTHCVADD-CYBMUJFWSA-N 1 2 294.355 2.091 20 5 CEBDLO Cc1nn(C[N@H+]2CCC[C@@H](OC3CCC3)C2)cc1[N+](=O)[O-] ZINC000848496496 642014315 /nfs/dbraw/zinc/01/43/15/642014315.db2.gz DINGKASTHCVADD-CYBMUJFWSA-N 1 2 294.355 2.091 20 5 CEBDLO Cc1noc(C[NH2+][C@@H](CCO)c2cccs2)c1[N+](=O)[O-] ZINC000851925765 643227675 /nfs/dbraw/zinc/22/76/75/643227675.db2.gz AKPOIXXNTBNZOJ-VIFPVBQESA-N 1 2 297.336 2.166 20 5 CEBDLO Cc1ccc(C(=O)O[C@@H]2CC[N@H+](CCF)C2)cc1[N+](=O)[O-] ZINC000788083735 643800081 /nfs/dbraw/zinc/80/00/81/643800081.db2.gz NCSZUDACMBFZKE-GFCCVEGCSA-N 1 2 296.298 2.104 20 5 CEBDLO Cc1ccc(C(=O)O[C@@H]2CC[N@@H+](CCF)C2)cc1[N+](=O)[O-] ZINC000788083735 643800083 /nfs/dbraw/zinc/80/00/83/643800083.db2.gz NCSZUDACMBFZKE-GFCCVEGCSA-N 1 2 296.298 2.104 20 5 CEBDLO O=C(OCCn1cc[nH+]c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000763117694 645507974 /nfs/dbraw/zinc/50/79/74/645507974.db2.gz YCICXARPPVGOSX-UHFFFAOYSA-N 1 2 295.682 2.302 20 5 CEBDLO Cc1c[nH]c(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000693478276 802960074 /nfs/dbraw/zinc/96/00/74/802960074.db2.gz ASXNKAHWWLKZBU-UHFFFAOYSA-N 1 2 260.297 2.225 20 5 CEBDLO CCOC(=O)[C@@H](CC)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173218747 815624736 /nfs/dbraw/zinc/62/47/36/815624736.db2.gz LNHKBRMUPPGKNR-BXUZGUMPSA-N 1 2 294.351 2.457 20 5 CEBDLO Cc1cc([N+](=O)[O-])cnc1N(C)CCCn1cc[nH+]c1 ZINC000268997519 190458720 /nfs/dbraw/zinc/45/87/20/190458720.db2.gz XAWNCNHAEFSNGV-UHFFFAOYSA-N 1 2 275.312 2.021 20 5 CEBDLO CN(Cc1[nH]cc[nH+]1)c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000567752116 299086291 /nfs/dbraw/zinc/08/62/91/299086291.db2.gz YOHXTDAGXXIOSZ-UHFFFAOYSA-N 1 2 287.323 2.228 20 5 CEBDLO CC(=O)c1ccc(NCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000025347311 343386352 /nfs/dbraw/zinc/38/63/52/343386352.db2.gz QMPXADCVNFXZBF-UHFFFAOYSA-N 1 2 274.280 2.106 20 5 CEBDLO O=[N+]([O-])c1ccc(NC2CCN(c3cccc[nH+]3)CC2)nc1 ZINC000052185091 343557386 /nfs/dbraw/zinc/55/73/86/343557386.db2.gz MDGIWVUYHYKEDL-UHFFFAOYSA-N 1 2 299.334 2.466 20 5 CEBDLO CC1(C)CC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC[S@@]1=O ZINC000449574725 282289814 /nfs/dbraw/zinc/28/98/14/282289814.db2.gz YKMRCVGEFHCQBK-FQEVSTJZSA-N 1 2 296.392 2.328 20 5 CEBDLO CC1(C)CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC[S@@]1=O ZINC000449574725 282289815 /nfs/dbraw/zinc/28/98/15/282289815.db2.gz YKMRCVGEFHCQBK-FQEVSTJZSA-N 1 2 296.392 2.328 20 5 CEBDLO CC[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093321574 344219577 /nfs/dbraw/zinc/21/95/77/344219577.db2.gz ZIDPNTYQJQQZGX-GJZGRUSLSA-N 1 2 294.351 2.426 20 5 CEBDLO CC[C@H](O)[C@@H]1CCCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093321574 344219578 /nfs/dbraw/zinc/21/95/78/344219578.db2.gz ZIDPNTYQJQQZGX-GJZGRUSLSA-N 1 2 294.351 2.426 20 5 CEBDLO CCn1ccnc1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000051924323 362450753 /nfs/dbraw/zinc/45/07/53/362450753.db2.gz MWBJAQOWDMDFMO-UHFFFAOYSA-N 1 2 260.297 2.101 20 5 CEBDLO Cn1cc[nH+]c1CNc1ccc([N+](=O)[O-])cc1F ZINC000051924223 362451329 /nfs/dbraw/zinc/45/13/29/362451329.db2.gz JLXNWFFSLXHCIE-UHFFFAOYSA-N 1 2 250.233 2.080 20 5 CEBDLO C[C@@H](O)[C@H](C)n1cc[nH+]c1-c1ccc([N+](=O)[O-])cc1 ZINC000268064579 344664072 /nfs/dbraw/zinc/66/40/72/344664072.db2.gz WQZHZXVXHHABOX-VHSXEESVSA-N 1 2 261.281 2.400 20 5 CEBDLO COc1cc(NCCn2cc[nH+]c2)c([N+](=O)[O-])cc1C ZINC000312698694 344739771 /nfs/dbraw/zinc/73/97/71/344739771.db2.gz RGZPPSHUOHDPEW-UHFFFAOYSA-N 1 2 276.296 2.220 20 5 CEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3C[C@@H]4CC[C@H](O)[C@@H]4C3)c2c1 ZINC000591154987 345226203 /nfs/dbraw/zinc/22/62/03/345226203.db2.gz MZJCPLHSQZAYCN-GLQYFDAESA-N 1 2 299.330 2.350 20 5 CEBDLO O=C(NCc1ccc([N+](=O)[O-])cc1)c1ccc2[nH+]ccn2c1 ZINC000057782827 362596903 /nfs/dbraw/zinc/59/69/03/362596903.db2.gz UXDKNCQVZLLDRL-UHFFFAOYSA-N 1 2 296.286 2.173 20 5 CEBDLO O=[N+]([O-])c1ccc(C[NH+]2CC3(CC3(F)F)C2)cc1 ZINC000594609080 345660338 /nfs/dbraw/zinc/66/03/38/345660338.db2.gz PIBJRIDTMCBBCJ-UHFFFAOYSA-N 1 2 254.236 2.436 20 5 CEBDLO C[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)c2ncnn21 ZINC000594956149 345715728 /nfs/dbraw/zinc/71/57/28/345715728.db2.gz FXLKHLAUZUBBLC-IONNQARKSA-N 1 2 279.325 2.043 20 5 CEBDLO Cc1noc(C[N@@H+]2CCSC[C@H]2C2CC2)c1[N+](=O)[O-] ZINC000595515880 345802060 /nfs/dbraw/zinc/80/20/60/345802060.db2.gz DABWVFVGTFKCAC-JTQLQIEISA-N 1 2 283.353 2.219 20 5 CEBDLO Cc1noc(C[N@H+]2CCSC[C@H]2C2CC2)c1[N+](=O)[O-] ZINC000595515880 345802061 /nfs/dbraw/zinc/80/20/61/345802061.db2.gz DABWVFVGTFKCAC-JTQLQIEISA-N 1 2 283.353 2.219 20 5 CEBDLO Cc1cc(N2CCc3[nH+]c[nH]c3C2)c([N+](=O)[O-])s1 ZINC000596236312 345976262 /nfs/dbraw/zinc/97/62/62/345976262.db2.gz GHZUVLSMSZMYOD-UHFFFAOYSA-N 1 2 264.310 2.251 20 5 CEBDLO CN(C)C(=O)CCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599025161 346448251 /nfs/dbraw/zinc/44/82/51/346448251.db2.gz LIYGZHWKOLXIHZ-UHFFFAOYSA-N 1 2 288.307 2.033 20 5 CEBDLO C[C@@H]1C[C@H](Nc2ncc(F)cc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000601171699 346777017 /nfs/dbraw/zinc/77/70/17/346777017.db2.gz OFOKYZJWZNEHJM-APPZFPTMSA-N 1 2 277.259 2.443 20 5 CEBDLO COCC1(C)C[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602689579 347148999 /nfs/dbraw/zinc/14/89/99/347148999.db2.gz XVAWRQLLEOZWPH-UHFFFAOYSA-N 1 2 291.307 2.204 20 5 CEBDLO Cc1csc(C(C)(C)[NH2+]Cc2cn(C)nc2[N+](=O)[O-])n1 ZINC000602791939 347200056 /nfs/dbraw/zinc/20/00/56/347200056.db2.gz YMLQTGUVISLTOX-UHFFFAOYSA-N 1 2 295.368 2.118 20 5 CEBDLO C[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1cccc(F)c1F ZINC000602803592 347205851 /nfs/dbraw/zinc/20/58/51/347205851.db2.gz DDNLNZFJGCHVBD-QMMMGPOBSA-N 1 2 296.277 2.457 20 5 CEBDLO O=[N+]([O-])c1ccc(CC[NH+]2CC3(C2)CCCO3)cc1 ZINC000602725110 347172614 /nfs/dbraw/zinc/17/26/14/347172614.db2.gz XIESCBOYJVBVQN-UHFFFAOYSA-N 1 2 262.309 2.002 20 5 CEBDLO C[C@@H]1CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000603267843 347325599 /nfs/dbraw/zinc/32/55/99/347325599.db2.gz WCAPALLFASHLGG-SNVBAGLBSA-N 1 2 286.291 2.015 20 5 CEBDLO O=C(Nc1ccc2[nH+]ccn2c1)c1ccc([N+](=O)[O-])o1 ZINC000609619380 347647048 /nfs/dbraw/zinc/64/70/48/347647048.db2.gz CYYDBYPNMQRVLZ-UHFFFAOYSA-N 1 2 272.220 2.088 20 5 CEBDLO O=C(C[N@@H+]1C[C@H]2CCC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000610585474 347694367 /nfs/dbraw/zinc/69/43/67/347694367.db2.gz PNTSSCONHJKPIG-ZYHUDNBSSA-N 1 2 275.308 2.018 20 5 CEBDLO O=C(C[N@H+]1C[C@H]2CCC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000610585474 347694369 /nfs/dbraw/zinc/69/43/69/347694369.db2.gz PNTSSCONHJKPIG-ZYHUDNBSSA-N 1 2 275.308 2.018 20 5 CEBDLO COCC1([N@H+](C)Cc2csc([N+](=O)[O-])c2)CC1 ZINC000611178481 347747606 /nfs/dbraw/zinc/74/76/06/347747606.db2.gz CRCDULAKSTUXLE-UHFFFAOYSA-N 1 2 256.327 2.267 20 5 CEBDLO COCC1([N@@H+](C)Cc2csc([N+](=O)[O-])c2)CC1 ZINC000611178481 347747609 /nfs/dbraw/zinc/74/76/09/347747609.db2.gz CRCDULAKSTUXLE-UHFFFAOYSA-N 1 2 256.327 2.267 20 5 CEBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CC=CCC2)cccc1[N+](=O)[O-] ZINC000611517341 347789212 /nfs/dbraw/zinc/78/92/12/347789212.db2.gz RKHZUFGQJWCNAZ-LBPRGKRZSA-N 1 2 289.335 2.492 20 5 CEBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC=CCC2)cccc1[N+](=O)[O-] ZINC000611517341 347789214 /nfs/dbraw/zinc/78/92/14/347789214.db2.gz RKHZUFGQJWCNAZ-LBPRGKRZSA-N 1 2 289.335 2.492 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@@H](C)[C@@H]1C ZINC000339573733 215251061 /nfs/dbraw/zinc/25/10/61/215251061.db2.gz OQVSZNWBSCHBOW-MNOVXSKESA-N 1 2 277.324 2.182 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000339573733 215251064 /nfs/dbraw/zinc/25/10/64/215251064.db2.gz OQVSZNWBSCHBOW-MNOVXSKESA-N 1 2 277.324 2.182 20 5 CEBDLO CN(CC[N@@H+]1CCOC(C)(C)C1)c1ccc([N+](=O)[O-])s1 ZINC000618980622 349083953 /nfs/dbraw/zinc/08/39/53/349083953.db2.gz KHPDCLALFAGOGP-UHFFFAOYSA-N 1 2 299.396 2.203 20 5 CEBDLO CN(CC[N@H+]1CCOC(C)(C)C1)c1ccc([N+](=O)[O-])s1 ZINC000618980622 349083958 /nfs/dbraw/zinc/08/39/58/349083958.db2.gz KHPDCLALFAGOGP-UHFFFAOYSA-N 1 2 299.396 2.203 20 5 CEBDLO Cc1cc[nH+]cc1N1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000619589455 349202914 /nfs/dbraw/zinc/20/29/14/349202914.db2.gz TZVYSISIYPKUNB-UHFFFAOYSA-N 1 2 299.334 2.020 20 5 CEBDLO Cc1c[nH+]ccc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000107291044 186166758 /nfs/dbraw/zinc/16/67/58/186166758.db2.gz AHQCEMMTZQNTOO-UHFFFAOYSA-N 1 2 271.276 2.479 20 5 CEBDLO C[C@@H](CO)[N@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000123159264 187075076 /nfs/dbraw/zinc/07/50/76/187075076.db2.gz BXOXMGFEAJYSQK-QMMMGPOBSA-N 1 2 258.705 2.061 20 5 CEBDLO C[C@@H](CO)[N@@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000123159264 187075077 /nfs/dbraw/zinc/07/50/77/187075077.db2.gz BXOXMGFEAJYSQK-QMMMGPOBSA-N 1 2 258.705 2.061 20 5 CEBDLO COC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451549084 283030717 /nfs/dbraw/zinc/03/07/17/283030717.db2.gz OWSJRLQKVPRHSO-AAEUAGOBSA-N 1 2 292.335 2.336 20 5 CEBDLO COC(=O)[C@H](C)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451549084 283030721 /nfs/dbraw/zinc/03/07/21/283030721.db2.gz OWSJRLQKVPRHSO-AAEUAGOBSA-N 1 2 292.335 2.336 20 5 CEBDLO CC1(C)COCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1F ZINC000170869452 188699901 /nfs/dbraw/zinc/69/99/01/188699901.db2.gz GMEZSNZFBCRCPO-UHFFFAOYSA-N 1 2 297.330 2.257 20 5 CEBDLO CC1(C)COCC[N@H+]1CCNc1ccc([N+](=O)[O-])cc1F ZINC000170869452 188699902 /nfs/dbraw/zinc/69/99/02/188699902.db2.gz GMEZSNZFBCRCPO-UHFFFAOYSA-N 1 2 297.330 2.257 20 5 CEBDLO C[N@@H+]1CCO[C@H](CSc2ccc([N+](=O)[O-])cc2F)C1 ZINC000578066251 366439150 /nfs/dbraw/zinc/43/91/50/366439150.db2.gz LSZXUURXMCBZBB-JTQLQIEISA-N 1 2 286.328 2.157 20 5 CEBDLO C[N@H+]1CCO[C@H](CSc2ccc([N+](=O)[O-])cc2F)C1 ZINC000578066251 366439153 /nfs/dbraw/zinc/43/91/53/366439153.db2.gz LSZXUURXMCBZBB-JTQLQIEISA-N 1 2 286.328 2.157 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H](CO)c1ccsc1 ZINC000339096750 366652728 /nfs/dbraw/zinc/65/27/28/366652728.db2.gz RFIABMCAGFSODJ-LBPRGKRZSA-N 1 2 294.332 2.185 20 5 CEBDLO C[C@H]1CCC[C@@H](CO)[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339040354 366627613 /nfs/dbraw/zinc/62/76/13/366627613.db2.gz BBJUCOVJXZAXSE-JQWIXIFHSA-N 1 2 280.324 2.036 20 5 CEBDLO C[C@H]1CCC[C@@H](CO)[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339040354 366627616 /nfs/dbraw/zinc/62/76/16/366627616.db2.gz BBJUCOVJXZAXSE-JQWIXIFHSA-N 1 2 280.324 2.036 20 5 CEBDLO O=[N+]([O-])c1ccc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)nc1 ZINC000301662591 201122928 /nfs/dbraw/zinc/12/29/28/201122928.db2.gz YFMYGEWPBUZVJN-CYBMUJFWSA-N 1 2 286.291 2.043 20 5 CEBDLO CCOC(=O)C(C)(C)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000112356358 364798412 /nfs/dbraw/zinc/79/84/12/364798412.db2.gz VSZKOXSESTZMGJ-UHFFFAOYSA-N 1 2 280.324 2.368 20 5 CEBDLO CCOC(=O)C(C)(C)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000112356358 364798419 /nfs/dbraw/zinc/79/84/19/364798419.db2.gz VSZKOXSESTZMGJ-UHFFFAOYSA-N 1 2 280.324 2.368 20 5 CEBDLO CC(C)c1ccc(C(=O)NCc2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000275868415 193151880 /nfs/dbraw/zinc/15/18/80/193151880.db2.gz NMBKYIIPJOOMNU-UHFFFAOYSA-N 1 2 288.307 2.371 20 5 CEBDLO CC(C)c1ccc(C[N@H+](C)CC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000162495010 367165099 /nfs/dbraw/zinc/16/50/99/367165099.db2.gz IMGIBPJGNIRKOJ-UHFFFAOYSA-N 1 2 293.367 2.238 20 5 CEBDLO CC(C)c1ccc(C[N@@H+](C)CC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000162495010 367165106 /nfs/dbraw/zinc/16/51/06/367165106.db2.gz IMGIBPJGNIRKOJ-UHFFFAOYSA-N 1 2 293.367 2.238 20 5 CEBDLO Cn1cc[nH+]c1[C@H](Nc1ccc([N+](=O)[O-])cn1)C1CC1 ZINC000343281253 367741107 /nfs/dbraw/zinc/74/11/07/367741107.db2.gz HGQIVVKVEOLJLO-GFCCVEGCSA-N 1 2 273.296 2.287 20 5 CEBDLO Cc1cccc(N2CCn3cc[nH+]c3C2)c1[N+](=O)[O-] ZINC000572612942 299384567 /nfs/dbraw/zinc/38/45/67/299384567.db2.gz STJNNWABIQXRDA-UHFFFAOYSA-N 1 2 258.281 2.120 20 5 CEBDLO C[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000348327367 369004348 /nfs/dbraw/zinc/00/43/48/369004348.db2.gz UPNGABFBDHMNDV-VIFPVBQESA-N 1 2 278.287 2.318 20 5 CEBDLO CCC[C@@]1(C)C(=O)NCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000187329548 369140832 /nfs/dbraw/zinc/14/08/32/369140832.db2.gz QEDMVXIDWNNIOO-HNNXBMFYSA-N 1 2 291.351 2.085 20 5 CEBDLO CCC[C@@]1(C)C(=O)NCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000187329548 369140836 /nfs/dbraw/zinc/14/08/36/369140836.db2.gz QEDMVXIDWNNIOO-HNNXBMFYSA-N 1 2 291.351 2.085 20 5 CEBDLO Cc1ccc(C[N@H+]2CC[C@@H](C)[C@H](O)C2)cc1[N+](=O)[O-] ZINC000349386372 369317916 /nfs/dbraw/zinc/31/79/16/369317916.db2.gz SDYFLFVLYZJIAA-BXUZGUMPSA-N 1 2 264.325 2.106 20 5 CEBDLO Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](O)C2)cc1[N+](=O)[O-] ZINC000349386372 369317922 /nfs/dbraw/zinc/31/79/22/369317922.db2.gz SDYFLFVLYZJIAA-BXUZGUMPSA-N 1 2 264.325 2.106 20 5 CEBDLO C[C@@H](Cn1cc[nH+]c1)Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352359226 369689361 /nfs/dbraw/zinc/68/93/61/369689361.db2.gz DMPRYGVPMSAOIM-NSHDSACASA-N 1 2 297.318 2.262 20 5 CEBDLO CCn1ncnc1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000193528986 369952350 /nfs/dbraw/zinc/95/23/50/369952350.db2.gz AATYFNYTCIOCGN-LLVKDONJSA-N 1 2 289.339 2.365 20 5 CEBDLO O=[N+]([O-])c1cc(C[NH+]2CCC(n3cncn3)CC2)cs1 ZINC000352852348 369914792 /nfs/dbraw/zinc/91/47/92/369914792.db2.gz FYEYVFXYIZQKOU-UHFFFAOYSA-N 1 2 293.352 2.085 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000249366717 371315770 /nfs/dbraw/zinc/31/57/70/371315770.db2.gz OLUVFWATPBHWAP-DYEKYZERSA-N 1 2 294.351 2.046 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000249366717 371315773 /nfs/dbraw/zinc/31/57/73/371315773.db2.gz OLUVFWATPBHWAP-DYEKYZERSA-N 1 2 294.351 2.046 20 5 CEBDLO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H](C)Cn2cc[nH+]c2)n1 ZINC000359099459 371336838 /nfs/dbraw/zinc/33/68/38/371336838.db2.gz BQPJMXBLLALCMI-NSHDSACASA-N 1 2 275.312 2.304 20 5 CEBDLO C[C@@H]1c2nncn2CC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000361656544 372008363 /nfs/dbraw/zinc/00/83/63/372008363.db2.gz SVLNEVVWMVOZPC-FVOPLDGLSA-N 1 2 299.334 2.276 20 5 CEBDLO C[C@@H]1c2nncn2CC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000361656544 372008366 /nfs/dbraw/zinc/00/83/66/372008366.db2.gz SVLNEVVWMVOZPC-FVOPLDGLSA-N 1 2 299.334 2.276 20 5 CEBDLO C[C@H](O)[C@H](C)n1cc[nH+]c1-c1ccc([N+](=O)[O-])cc1 ZINC000268064577 372087516 /nfs/dbraw/zinc/08/75/16/372087516.db2.gz WQZHZXVXHHABOX-UWVGGRQHSA-N 1 2 261.281 2.400 20 5 CEBDLO CC(C)OC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000372117227 374046310 /nfs/dbraw/zinc/04/63/10/374046310.db2.gz QXJZOYKHJHRUHZ-OAHLLOKOSA-N 1 2 294.351 2.221 20 5 CEBDLO CC(C)OC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000372117227 374046319 /nfs/dbraw/zinc/04/63/19/374046319.db2.gz QXJZOYKHJHRUHZ-OAHLLOKOSA-N 1 2 294.351 2.221 20 5 CEBDLO C[C@@H]([NH2+][C@@H](C)c1ncnn1C)c1cccc([N+](=O)[O-])c1 ZINC000276725794 374280489 /nfs/dbraw/zinc/28/04/89/374280489.db2.gz XWYQYUQKJTZQPO-ZJUUUORDSA-N 1 2 275.312 2.135 20 5 CEBDLO Cc1cn2c([nH+]1)CN(c1ccc(F)cc1[N+](=O)[O-])CC2 ZINC000374721449 374627939 /nfs/dbraw/zinc/62/79/39/374627939.db2.gz UHVBWGYKUKFZOI-UHFFFAOYSA-N 1 2 276.271 2.259 20 5 CEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000375391390 374654862 /nfs/dbraw/zinc/65/48/62/374654862.db2.gz LDUOJVNSWLYPPN-UHFFFAOYSA-N 1 2 298.346 2.376 20 5 CEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000375391390 374654871 /nfs/dbraw/zinc/65/48/71/374654871.db2.gz LDUOJVNSWLYPPN-UHFFFAOYSA-N 1 2 298.346 2.376 20 5 CEBDLO CCc1nnc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000282476090 375493753 /nfs/dbraw/zinc/49/37/53/375493753.db2.gz OFWQFWCKFIWRPC-UHFFFAOYSA-N 1 2 290.323 2.215 20 5 CEBDLO CCc1nnc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000282476090 375493757 /nfs/dbraw/zinc/49/37/57/375493757.db2.gz OFWQFWCKFIWRPC-UHFFFAOYSA-N 1 2 290.323 2.215 20 5 CEBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(C[NH2+]C)no1 ZINC000414639088 375893326 /nfs/dbraw/zinc/89/33/26/375893326.db2.gz GBILWYLCKNVQFR-NSHDSACASA-N 1 2 290.323 2.434 20 5 CEBDLO COCc1cc([N+](=O)[O-])ccc1N[C@H](C)Cn1cc[nH+]c1 ZINC000290463962 376790410 /nfs/dbraw/zinc/79/04/10/376790410.db2.gz FQYMSFFZEFFUFF-LLVKDONJSA-N 1 2 290.323 2.438 20 5 CEBDLO CC[C@]1(CO)CCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330457985 377141946 /nfs/dbraw/zinc/14/19/46/377141946.db2.gz RBVLDJWALUOMAW-CQSZACIVSA-N 1 2 280.324 2.037 20 5 CEBDLO CC[C@]1(CO)CCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330457985 377141948 /nfs/dbraw/zinc/14/19/48/377141948.db2.gz RBVLDJWALUOMAW-CQSZACIVSA-N 1 2 280.324 2.037 20 5 CEBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]1COC ZINC000293661629 377682392 /nfs/dbraw/zinc/68/23/92/377682392.db2.gz UCMIJECOFOUMQT-CYBMUJFWSA-N 1 2 280.324 2.214 20 5 CEBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]1COC ZINC000293661629 377682402 /nfs/dbraw/zinc/68/24/02/377682402.db2.gz UCMIJECOFOUMQT-CYBMUJFWSA-N 1 2 280.324 2.214 20 5 CEBDLO CC1(C)C[N@H+](Cc2csc([N+](=O)[O-])c2)CC[C@@H]1O ZINC000438331887 377897370 /nfs/dbraw/zinc/89/73/70/377897370.db2.gz CGLBRNAGETXHQH-JTQLQIEISA-N 1 2 270.354 2.249 20 5 CEBDLO CC1(C)C[N@@H+](Cc2csc([N+](=O)[O-])c2)CC[C@@H]1O ZINC000438331887 377897373 /nfs/dbraw/zinc/89/73/73/377897373.db2.gz CGLBRNAGETXHQH-JTQLQIEISA-N 1 2 270.354 2.249 20 5 CEBDLO CCc1nn(C)c(N[C@H]2C[C@@H](C)n3cc[nH+]c32)c1[N+](=O)[O-] ZINC000450835696 378605698 /nfs/dbraw/zinc/60/56/98/378605698.db2.gz XQKLTLSQODKUCR-SCZZXKLOSA-N 1 2 290.327 2.205 20 5 CEBDLO O=[N+]([O-])c1ccsc1N1CCN(c2cccc[nH+]2)CC1 ZINC000301916614 379314066 /nfs/dbraw/zinc/31/40/66/379314066.db2.gz AECKFLCLXDJYHF-UHFFFAOYSA-N 1 2 290.348 2.378 20 5 CEBDLO Cc1ccc(NC[C@@H](C)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000266974794 190294989 /nfs/dbraw/zinc/29/49/89/190294989.db2.gz NLWCCGOVJWWWDT-GFCCVEGCSA-N 1 2 279.340 2.036 20 5 CEBDLO Cc1cc(C)c(CNC(=O)Cc2ccccc2[N+](=O)[O-])c[nH+]1 ZINC000456862658 379578250 /nfs/dbraw/zinc/57/82/50/379578250.db2.gz QEWQHXZNJCFQMC-UHFFFAOYSA-N 1 2 299.330 2.466 20 5 CEBDLO Cc1[nH+]c2cc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)ccc2n1C ZINC000525210634 379654457 /nfs/dbraw/zinc/65/44/57/379654457.db2.gz OVSPKUAWBHTWGS-UHFFFAOYSA-N 1 2 299.290 2.370 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1[C@H](C)C[C@H]1C ZINC000547769615 380469044 /nfs/dbraw/zinc/46/90/44/380469044.db2.gz FBFIPWBNXWCTRY-GHMZBOCLSA-N 1 2 277.324 2.324 20 5 CEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCSCC2)c([N+](=O)[O-])c1 ZINC000193668618 285113721 /nfs/dbraw/zinc/11/37/21/285113721.db2.gz KWARFFMRWJIEGH-UHFFFAOYSA-N 1 2 283.309 2.052 20 5 CEBDLO O=[N+]([O-])c1cnc(N2CCC(n3cc[nH+]c3)CC2)s1 ZINC000190322822 130089612 /nfs/dbraw/zinc/08/96/12/130089612.db2.gz GEMXNKNUVRXTHD-UHFFFAOYSA-N 1 2 279.325 2.089 20 5 CEBDLO CC[C@@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@@H]1O ZINC000413214712 394505627 /nfs/dbraw/zinc/50/56/27/394505627.db2.gz WNUQYOHIQFPLTI-YGRLFVJLSA-N 1 2 287.319 2.350 20 5 CEBDLO C[C@@H](C[S@@](C)=O)Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413230061 394508097 /nfs/dbraw/zinc/50/80/97/394508097.db2.gz KNVPRRGCDDCMBE-GWNMQOMSSA-N 1 2 293.348 2.322 20 5 CEBDLO C[C@@H]1CC[C@H](C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)O1 ZINC000352704769 395266891 /nfs/dbraw/zinc/26/68/91/395266891.db2.gz GZGMQMOKJOXANW-BXUZGUMPSA-N 1 2 292.335 2.357 20 5 CEBDLO C[C@@H]1CC[C@H](C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)O1 ZINC000352704769 395266896 /nfs/dbraw/zinc/26/68/96/395266896.db2.gz GZGMQMOKJOXANW-BXUZGUMPSA-N 1 2 292.335 2.357 20 5 CEBDLO CCN(CC)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448559776 395517378 /nfs/dbraw/zinc/51/73/78/395517378.db2.gz XYCGUTATZCAKOW-UHFFFAOYSA-N 1 2 288.307 2.263 20 5 CEBDLO Cc1ccc(NC(=O)C=Cc2c[nH]c[nH+]2)cc1[N+](=O)[O-] ZINC000493725644 395672355 /nfs/dbraw/zinc/67/23/55/395672355.db2.gz ODCHKPXCAYMQLA-PLNGDYQASA-N 1 2 272.264 2.278 20 5 CEBDLO COc1cc(C[N@@H+]2CCOC3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000352772464 154335822 /nfs/dbraw/zinc/33/58/22/154335822.db2.gz QRBPERIXYUTCPL-UHFFFAOYSA-N 1 2 292.335 2.358 20 5 CEBDLO COc1cc(C[N@H+]2CCOC3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000352772464 154335824 /nfs/dbraw/zinc/33/58/24/154335824.db2.gz QRBPERIXYUTCPL-UHFFFAOYSA-N 1 2 292.335 2.358 20 5 CEBDLO COc1cc(C[N@@H+]2CCO[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000352785334 154338583 /nfs/dbraw/zinc/33/85/83/154338583.db2.gz XPGQWEBFJGLKJV-OAHLLOKOSA-N 1 2 294.351 2.460 20 5 CEBDLO COc1cc(C[N@H+]2CCO[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000352785334 154338588 /nfs/dbraw/zinc/33/85/88/154338588.db2.gz XPGQWEBFJGLKJV-OAHLLOKOSA-N 1 2 294.351 2.460 20 5 CEBDLO COc1ccc(C[NH2+]Cc2cc(C)on2)cc1[N+](=O)[O-] ZINC000044724976 175237373 /nfs/dbraw/zinc/23/73/73/175237373.db2.gz SVKUOOXORKHECT-UHFFFAOYSA-N 1 2 277.280 2.190 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCOCC1(C)C ZINC000430195732 271362237 /nfs/dbraw/zinc/36/22/37/271362237.db2.gz JUJSCGNQLMPHJT-UHFFFAOYSA-N 1 2 280.324 2.214 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCOCC1(C)C ZINC000430195732 271362239 /nfs/dbraw/zinc/36/22/39/271362239.db2.gz JUJSCGNQLMPHJT-UHFFFAOYSA-N 1 2 280.324 2.214 20 5 CEBDLO O=[N+]([O-])c1ccnn1Cc1[nH+]ccn1-c1ccccc1 ZINC000434650457 271598812 /nfs/dbraw/zinc/59/88/12/271598812.db2.gz NBLKSIVXTBALKG-UHFFFAOYSA-N 1 2 269.264 2.025 20 5 CEBDLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000183381620 276046778 /nfs/dbraw/zinc/04/67/78/276046778.db2.gz ONHMWGFNGJFCTP-AWEZNQCLSA-N 1 2 291.351 2.004 20 5 CEBDLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000183381620 276046780 /nfs/dbraw/zinc/04/67/80/276046780.db2.gz ONHMWGFNGJFCTP-AWEZNQCLSA-N 1 2 291.351 2.004 20 5 CEBDLO COc1cc(N2CCn3cc(C)[nH+]c3C2)ccc1[N+](=O)[O-] ZINC000374708813 277382360 /nfs/dbraw/zinc/38/23/60/277382360.db2.gz COTXMXWIZBLNPS-UHFFFAOYSA-N 1 2 288.307 2.129 20 5 CEBDLO Cc1nn(C)c(NCc2cc(C)[nH+]c(C)c2)c1[N+](=O)[O-] ZINC000420656603 280818526 /nfs/dbraw/zinc/81/85/26/280818526.db2.gz VFWGDPDWVAIEIF-UHFFFAOYSA-N 1 2 275.312 2.261 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(N2CCC(n3cc[nH+]c3)CC2)n1 ZINC000178201839 281011093 /nfs/dbraw/zinc/01/10/93/281011093.db2.gz QBOPCANUOULCOL-UHFFFAOYSA-N 1 2 287.323 2.336 20 5 CEBDLO CC(C)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448561131 281923050 /nfs/dbraw/zinc/92/30/50/281923050.db2.gz MBUYIHAQSCCXNA-UHFFFAOYSA-N 1 2 288.307 2.166 20 5 CEBDLO Cc1nn(Cc2c[nH+]c3ccccn23)c(C)c1[N+](=O)[O-] ZINC000155845773 289183466 /nfs/dbraw/zinc/18/34/66/289183466.db2.gz KOERQGRKEVEAEC-UHFFFAOYSA-N 1 2 271.280 2.104 20 5 CEBDLO COc1ccc(C[NH2+][C@@H](C)c2ccn(C)n2)cc1[N+](=O)[O-] ZINC000459753477 290227556 /nfs/dbraw/zinc/22/75/56/290227556.db2.gz NJKUYEVRKIFVRZ-JTQLQIEISA-N 1 2 290.323 2.188 20 5 CEBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2Cc3ccc(Cl)cc3C2)n1 ZINC000459771980 290234634 /nfs/dbraw/zinc/23/46/34/290234634.db2.gz UNLOBJQMNFNEPI-UHFFFAOYSA-N 1 2 292.726 2.461 20 5 CEBDLO O=[N+]([O-])c1ccn(CC[N@H+]2Cc3ccc(Cl)cc3C2)n1 ZINC000459771980 290234637 /nfs/dbraw/zinc/23/46/37/290234637.db2.gz UNLOBJQMNFNEPI-UHFFFAOYSA-N 1 2 292.726 2.461 20 5 CEBDLO Cc1nccn1CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535026873 298180130 /nfs/dbraw/zinc/18/01/30/298180130.db2.gz XANLVCWBUPWVNL-UHFFFAOYSA-N 1 2 286.335 2.158 20 5 CEBDLO Cc1nccn1CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535026873 298180132 /nfs/dbraw/zinc/18/01/32/298180132.db2.gz XANLVCWBUPWVNL-UHFFFAOYSA-N 1 2 286.335 2.158 20 5 CEBDLO C[C@@H](CC(=O)NCc1ccc([N+](=O)[O-])cc1)n1cc[nH+]c1 ZINC000565052701 298873760 /nfs/dbraw/zinc/87/37/60/298873760.db2.gz WQDSYIAZMQKNFT-NSHDSACASA-N 1 2 288.307 2.059 20 5 CEBDLO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCSCC1 ZINC000505823598 313043260 /nfs/dbraw/zinc/04/32/60/313043260.db2.gz AOFIVYVHZGYEAX-UHFFFAOYSA-N 1 2 256.302 2.283 20 5 CEBDLO C[C@@H]([NH+]=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1)[C@H]1CCCOC1 ZINC000388891638 321888493 /nfs/dbraw/zinc/88/84/93/321888493.db2.gz LFPVNQDWXZHLII-ZJUUUORDSA-N 1 2 290.323 2.120 20 5 CEBDLO CCc1nnc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000184622098 522354111 /nfs/dbraw/zinc/35/41/11/522354111.db2.gz FEBUZLBILIRNFP-SECBINFHSA-N 1 2 275.312 2.126 20 5 CEBDLO CC[C@H]([NH2+]CC(F)(F)CO)c1cccc([N+](=O)[O-])c1 ZINC000184709464 522568948 /nfs/dbraw/zinc/56/89/48/522568948.db2.gz JPWDMSYXJVALOU-NSHDSACASA-N 1 2 274.267 2.263 20 5 CEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCC3(O)CCC3)c2c1 ZINC000413127700 534884838 /nfs/dbraw/zinc/88/48/38/534884838.db2.gz BSZLQMLYYKAXEJ-UHFFFAOYSA-N 1 2 273.292 2.470 20 5 CEBDLO O=[N+]([O-])c1cnn(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000729469214 574488608 /nfs/dbraw/zinc/48/86/08/574488608.db2.gz KRLFTVDZOOCKOS-LBPRGKRZSA-N 1 2 290.298 2.377 20 5 CEBDLO O=[N+]([O-])c1cnn(C[N@H+]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000729469214 574488609 /nfs/dbraw/zinc/48/86/09/574488609.db2.gz KRLFTVDZOOCKOS-LBPRGKRZSA-N 1 2 290.298 2.377 20 5 CEBDLO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000743483272 575105219 /nfs/dbraw/zinc/10/52/19/575105219.db2.gz ZGQOFUPMUXHIDH-LLVKDONJSA-N 1 2 294.351 2.457 20 5 CEBDLO C[C@H]1COCCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000749513569 575223638 /nfs/dbraw/zinc/22/36/38/575223638.db2.gz FWIAPANGSWMALR-JTQLQIEISA-N 1 2 268.288 2.345 20 5 CEBDLO C[C@H]1COCCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000749513569 575223639 /nfs/dbraw/zinc/22/36/39/575223639.db2.gz FWIAPANGSWMALR-JTQLQIEISA-N 1 2 268.288 2.345 20 5 CEBDLO C/C(=C\C(=O)NCc1[nH]cc[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC000752280853 575307773 /nfs/dbraw/zinc/30/77/73/575307773.db2.gz DPQRLUBIYQPOLB-CSKARUKUSA-N 1 2 286.291 2.038 20 5 CEBDLO CN(C)c1cc(N(C)Cc2ccccc2[N+](=O)[O-])nc[nH+]1 ZINC000891747746 623941206 /nfs/dbraw/zinc/94/12/06/623941206.db2.gz LTEGAPUDALSDOY-UHFFFAOYSA-N 1 2 287.323 2.087 20 5 CEBDLO CN(C)c1cc(N(C)Cc2ccccc2[N+](=O)[O-])[nH+]cn1 ZINC000891747746 623941210 /nfs/dbraw/zinc/94/12/10/623941210.db2.gz LTEGAPUDALSDOY-UHFFFAOYSA-N 1 2 287.323 2.087 20 5 CEBDLO COCC[N@H+](CCF)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000852481044 627872479 /nfs/dbraw/zinc/87/24/79/627872479.db2.gz GKKKGZCONSMSPR-UHFFFAOYSA-N 1 2 286.303 2.021 20 5 CEBDLO COCC[N@@H+](CCF)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000852481044 627872482 /nfs/dbraw/zinc/87/24/82/627872482.db2.gz GKKKGZCONSMSPR-UHFFFAOYSA-N 1 2 286.303 2.021 20 5 CEBDLO Cc1nnc([C@@H](C)[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)[nH]1 ZINC000894777806 629633301 /nfs/dbraw/zinc/63/33/01/629633301.db2.gz MTBKWUBDIDHIHA-SNVBAGLBSA-N 1 2 289.339 2.489 20 5 CEBDLO COc1c(O)ccc(C[NH+]2CC3(CC(F)C3)C2)c1[N+](=O)[O-] ZINC000894830853 629669458 /nfs/dbraw/zinc/66/94/58/629669458.db2.gz UISJSHLRKYTAPT-UHFFFAOYSA-N 1 2 296.298 2.243 20 5 CEBDLO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cn(C)nn2)cc1[N+](=O)[O-] ZINC000902874383 634866410 /nfs/dbraw/zinc/86/64/10/634866410.db2.gz FLFCREFPYQFLNZ-WDEREUQCSA-N 1 2 289.339 2.444 20 5 CEBDLO CC1(C)C[NH2+]C[C@H]1[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000904464987 635636959 /nfs/dbraw/zinc/63/69/59/635636959.db2.gz XAIBOMILTLJSSY-LLVKDONJSA-N 1 2 299.758 2.041 20 5 CEBDLO O=[N+]([O-])CC[NH2+]Cc1ccc(Br)c(F)c1F ZINC000905387843 636244712 /nfs/dbraw/zinc/24/47/12/636244712.db2.gz YZHLELYCRXVQMG-UHFFFAOYSA-N 1 2 295.083 2.094 20 5 CEBDLO CC[C@H](C)[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)C(=O)OC ZINC000905762240 636448256 /nfs/dbraw/zinc/44/82/56/636448256.db2.gz LZPAVMJYAOQWMW-FZMZJTMJSA-N 1 2 294.351 2.315 20 5 CEBDLO C[C@@H](CC(=O)OCc1ccccc1[N+](=O)[O-])n1cc[nH+]c1 ZINC000845280685 640942449 /nfs/dbraw/zinc/94/24/49/640942449.db2.gz WUCKAMGOWJODRE-NSHDSACASA-N 1 2 289.291 2.486 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1ccn(C)n1 ZINC000850448793 642717116 /nfs/dbraw/zinc/71/71/16/642717116.db2.gz PZXBMAHVUZHKCH-SNVBAGLBSA-N 1 2 290.323 2.188 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1OC(=O)CCCn1cc[nH+]c1 ZINC000760017523 645104102 /nfs/dbraw/zinc/10/41/02/645104102.db2.gz PAPOAIJYJHOVBA-UHFFFAOYSA-N 1 2 289.291 2.486 20 5 CEBDLO Cc1[nH]c(CN2CCc3c(cccc3[N+](=O)[O-])C2)[nH+]c1C ZINC000862246212 646378797 /nfs/dbraw/zinc/37/87/97/646378797.db2.gz LBTIKMAKYGWHEX-UHFFFAOYSA-N 1 2 286.335 2.493 20 5 CEBDLO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CCC[N@H+](CCF)C2)n1 ZINC000865928453 647539335 /nfs/dbraw/zinc/53/93/35/647539335.db2.gz YIUHSLLPQNGXMY-GFCCVEGCSA-N 1 2 296.346 2.452 20 5 CEBDLO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CCC[N@@H+](CCF)C2)n1 ZINC000865928453 647539340 /nfs/dbraw/zinc/53/93/40/647539340.db2.gz YIUHSLLPQNGXMY-GFCCVEGCSA-N 1 2 296.346 2.452 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCCOCC2)cc1Cl ZINC000783535119 647726012 /nfs/dbraw/zinc/72/60/12/647726012.db2.gz MTMLICGEXYWBBF-UHFFFAOYSA-N 1 2 270.716 2.471 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCCOCC2)cc1Cl ZINC000783535119 647726017 /nfs/dbraw/zinc/72/60/17/647726017.db2.gz MTMLICGEXYWBBF-UHFFFAOYSA-N 1 2 270.716 2.471 20 5 CEBDLO CC1(C)CC[N@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794637282 648895826 /nfs/dbraw/zinc/89/58/26/648895826.db2.gz SGPIHUAOXBKDCG-UHFFFAOYSA-N 1 2 291.307 2.192 20 5 CEBDLO CC1(C)CC[N@@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794637282 648895829 /nfs/dbraw/zinc/89/58/29/648895829.db2.gz SGPIHUAOXBKDCG-UHFFFAOYSA-N 1 2 291.307 2.192 20 5 CEBDLO CCC(F)(F)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000697587497 806599851 /nfs/dbraw/zinc/59/98/51/806599851.db2.gz PGQATFIGYWCNHO-LLVKDONJSA-N 1 2 274.267 2.263 20 5 CEBDLO CN(C)c1ccc(NCc2cc[nH+]c(N)c2)c([N+](=O)[O-])c1 ZINC001167616594 803203974 /nfs/dbraw/zinc/20/39/74/803203974.db2.gz JZYWADCBARZZNB-UHFFFAOYSA-N 1 2 287.323 2.250 20 5 CEBDLO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC(F)(F)C(F)(F)F)C1 ZINC001168966145 811318459 /nfs/dbraw/zinc/31/84/59/811318459.db2.gz GNJLQPGSRQMVOR-RQJHMYQMSA-N 1 2 276.205 2.219 20 5 CEBDLO COc1ccc(C[C@@H](C)[NH2+]CC(F)F)c([N+](=O)[O-])c1 ZINC001170299690 812376912 /nfs/dbraw/zinc/37/69/12/812376912.db2.gz VKIZGLAXMOMCHR-MRVPVSSYSA-N 1 2 274.267 2.389 20 5 CEBDLO COc1ccc(C[C@H](C)[N@@H+]2CCOC[C@H]2C)c([N+](=O)[O-])c1 ZINC001170329815 812389359 /nfs/dbraw/zinc/38/93/59/812389359.db2.gz VCEVSBWXEGGHCR-NWDGAFQWSA-N 1 2 294.351 2.255 20 5 CEBDLO COc1ccc(C[C@H](C)[N@H+]2CCOC[C@H]2C)c([N+](=O)[O-])c1 ZINC001170329815 812389368 /nfs/dbraw/zinc/38/93/68/812389368.db2.gz VCEVSBWXEGGHCR-NWDGAFQWSA-N 1 2 294.351 2.255 20 5 CEBDLO COc1ccc(C[C@H](C)[N@@H+]2C[C@@H]3C[C@H]2CO3)c([N+](=O)[O-])c1 ZINC001170344332 812398949 /nfs/dbraw/zinc/39/89/49/812398949.db2.gz AKLDSCLQYLWJNJ-JKOKRWQUSA-N 1 2 292.335 2.008 20 5 CEBDLO COc1ccc(C[C@H](C)[N@H+]2C[C@@H]3C[C@H]2CO3)c([N+](=O)[O-])c1 ZINC001170344332 812398955 /nfs/dbraw/zinc/39/89/55/812398955.db2.gz AKLDSCLQYLWJNJ-JKOKRWQUSA-N 1 2 292.335 2.008 20 5 CEBDLO CCc1c[nH+]ccc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000357600159 529502549 /nfs/dbraw/zinc/50/25/49/529502549.db2.gz YZENKHRQEOJOIW-UHFFFAOYSA-N 1 2 285.303 2.155 20 5 CEBDLO COc1cc[nH+]cc1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000126015161 365694852 /nfs/dbraw/zinc/69/48/52/365694852.db2.gz UPLBHECOUZWULI-UHFFFAOYSA-N 1 2 291.238 2.390 20 5 CEBDLO Cn1cnc([N+](=O)[O-])c1Nc1ccc(N2CCCC2)[nH+]c1 ZINC000023618718 343382338 /nfs/dbraw/zinc/38/23/38/343382338.db2.gz ZNCUNRFHHYVDFN-UHFFFAOYSA-N 1 2 288.311 2.067 20 5 CEBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000047028508 343509891 /nfs/dbraw/zinc/50/98/91/343509891.db2.gz DLFGRALEAYWJHO-JTQLQIEISA-N 1 2 289.295 2.002 20 5 CEBDLO CC1(C)COCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000049981256 343540659 /nfs/dbraw/zinc/54/06/59/343540659.db2.gz NRDBUBCASCTVOL-UHFFFAOYSA-N 1 2 250.298 2.206 20 5 CEBDLO CC1(C)COCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000049981256 343540661 /nfs/dbraw/zinc/54/06/61/343540661.db2.gz NRDBUBCASCTVOL-UHFFFAOYSA-N 1 2 250.298 2.206 20 5 CEBDLO C[N@H+](CCc1nccs1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093843721 344230424 /nfs/dbraw/zinc/23/04/24/344230424.db2.gz ZMZBHYJYTNBOLF-UHFFFAOYSA-N 1 2 293.348 2.431 20 5 CEBDLO C[N@@H+](CCc1nccs1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093843721 344230425 /nfs/dbraw/zinc/23/04/25/344230425.db2.gz ZMZBHYJYTNBOLF-UHFFFAOYSA-N 1 2 293.348 2.431 20 5 CEBDLO COC(=O)[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000152566512 344426472 /nfs/dbraw/zinc/42/64/72/344426472.db2.gz URTZGBRWFHCIRV-ZDUSSCGKSA-N 1 2 294.351 2.315 20 5 CEBDLO CC[C@@H]([NH2+]Cc1cn(CC)nn1)c1cccc([N+](=O)[O-])c1 ZINC000404438719 344880211 /nfs/dbraw/zinc/88/02/11/344880211.db2.gz FHQFQLVRAFXAPU-CQSZACIVSA-N 1 2 289.339 2.447 20 5 CEBDLO CC1(O)CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000591149863 345225495 /nfs/dbraw/zinc/22/54/95/345225495.db2.gz QFAGPIVFUARJHU-UHFFFAOYSA-N 1 2 287.319 2.494 20 5 CEBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)cs1 ZINC000590972115 345207792 /nfs/dbraw/zinc/20/77/92/345207792.db2.gz BKBLGRBEGJZWIF-MNOVXSKESA-N 1 2 268.338 2.267 20 5 CEBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]3COC[C@@H]32)cs1 ZINC000590972115 345207794 /nfs/dbraw/zinc/20/77/94/345207794.db2.gz BKBLGRBEGJZWIF-MNOVXSKESA-N 1 2 268.338 2.267 20 5 CEBDLO CC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000593069213 345433021 /nfs/dbraw/zinc/43/30/21/345433021.db2.gz HVJILYMEVKELLR-LBPRGKRZSA-N 1 2 280.324 2.301 20 5 CEBDLO CC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000593069213 345433023 /nfs/dbraw/zinc/43/30/23/345433023.db2.gz HVJILYMEVKELLR-LBPRGKRZSA-N 1 2 280.324 2.301 20 5 CEBDLO Cc1nn(C)c(NCCc2[nH+]cc(C)cc2C)c1[N+](=O)[O-] ZINC000594597525 345655678 /nfs/dbraw/zinc/65/56/78/345655678.db2.gz WMZHTLQBEJIQDT-UHFFFAOYSA-N 1 2 289.339 2.303 20 5 CEBDLO CC1(C)CC[C@H](CO)[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000598646285 346392330 /nfs/dbraw/zinc/39/23/30/346392330.db2.gz DXCNPKLXOCDRPH-GFCCVEGCSA-N 1 2 294.351 2.283 20 5 CEBDLO CC1(C)CC[C@H](CO)[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000598646285 346392332 /nfs/dbraw/zinc/39/23/32/346392332.db2.gz DXCNPKLXOCDRPH-GFCCVEGCSA-N 1 2 294.351 2.283 20 5 CEBDLO C[C@H](O)CCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599042701 346451011 /nfs/dbraw/zinc/45/10/11/346451011.db2.gz FBTMQMXVNGMEJT-VIFPVBQESA-N 1 2 261.281 2.326 20 5 CEBDLO C/C=C/CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000599172717 346472661 /nfs/dbraw/zinc/47/26/61/346472661.db2.gz RTZAQKMQQFBISR-NSCUHMNNSA-N 1 2 291.351 2.415 20 5 CEBDLO COC[C@@]1(C)C[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000599694431 346569911 /nfs/dbraw/zinc/56/99/11/346569911.db2.gz UAFRTVUFPLFGPZ-IUODEOHRSA-N 1 2 294.351 2.393 20 5 CEBDLO COC[C@@]1(C)C[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000599694431 346569916 /nfs/dbraw/zinc/56/99/16/346569916.db2.gz UAFRTVUFPLFGPZ-IUODEOHRSA-N 1 2 294.351 2.393 20 5 CEBDLO C[C@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1O ZINC000351751975 219195687 /nfs/dbraw/zinc/19/56/87/219195687.db2.gz BFFUMMXUTOTOIM-SDBXPKJASA-N 1 2 286.278 2.076 20 5 CEBDLO C[C@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1O ZINC000351751975 219195689 /nfs/dbraw/zinc/19/56/89/219195689.db2.gz BFFUMMXUTOTOIM-SDBXPKJASA-N 1 2 286.278 2.076 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H]1CCCn2nccc21 ZINC000601173923 346777692 /nfs/dbraw/zinc/77/76/92/346777692.db2.gz MLRQHRMTYUSARM-LBPRGKRZSA-N 1 2 288.307 2.122 20 5 CEBDLO COc1cc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)on1 ZINC000602714022 347166423 /nfs/dbraw/zinc/16/64/23/347166423.db2.gz RTYIDCDQPBZLSU-UHFFFAOYSA-N 1 2 277.280 2.190 20 5 CEBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+](CC(F)F)C(C)C ZINC000602781807 347196287 /nfs/dbraw/zinc/19/62/87/347196287.db2.gz FSFOKBGWQLTFKL-UHFFFAOYSA-N 1 2 276.287 2.075 20 5 CEBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](CC(F)F)C(C)C ZINC000602781807 347196289 /nfs/dbraw/zinc/19/62/89/347196289.db2.gz FSFOKBGWQLTFKL-UHFFFAOYSA-N 1 2 276.287 2.075 20 5 CEBDLO CCC(F)(F)C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000602800294 347203717 /nfs/dbraw/zinc/20/37/17/347203717.db2.gz HLYOODAUHVAIBI-UHFFFAOYSA-N 1 2 271.267 2.393 20 5 CEBDLO CCC(F)(F)C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000602800294 347203722 /nfs/dbraw/zinc/20/37/22/347203722.db2.gz HLYOODAUHVAIBI-UHFFFAOYSA-N 1 2 271.267 2.393 20 5 CEBDLO C[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000602802638 347205812 /nfs/dbraw/zinc/20/58/12/347205812.db2.gz SCRPXDIWUZXMRI-QMMMGPOBSA-N 1 2 296.277 2.457 20 5 CEBDLO CC1(F)CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000602992883 347269220 /nfs/dbraw/zinc/26/92/20/347269220.db2.gz ITCGXVGMRWPRKK-UHFFFAOYSA-N 1 2 295.314 2.357 20 5 CEBDLO Cc1cc(C[N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)no1 ZINC000065533942 362832965 /nfs/dbraw/zinc/83/29/65/362832965.db2.gz DYGCKHMRQREVPX-UHFFFAOYSA-N 1 2 291.307 2.402 20 5 CEBDLO Cc1cc(C[N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)no1 ZINC000065533942 362832970 /nfs/dbraw/zinc/83/29/70/362832970.db2.gz DYGCKHMRQREVPX-UHFFFAOYSA-N 1 2 291.307 2.402 20 5 CEBDLO O=[N+]([O-])c1ncccc1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609132694 347626955 /nfs/dbraw/zinc/62/69/55/347626955.db2.gz CCVNPICBBISEHA-NSHDSACASA-N 1 2 273.296 2.028 20 5 CEBDLO Cc1nc(N2CCC[C@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000610754829 347711644 /nfs/dbraw/zinc/71/16/44/347711644.db2.gz KJXBAHLUTSQCOC-LBPRGKRZSA-N 1 2 287.323 2.336 20 5 CEBDLO COC(=O)C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000271285568 191050229 /nfs/dbraw/zinc/05/02/29/191050229.db2.gz QIGNNORKOFMSNH-GQCTYLIASA-N 1 2 290.319 2.245 20 5 CEBDLO COC(=O)C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000271285568 191050230 /nfs/dbraw/zinc/05/02/30/191050230.db2.gz QIGNNORKOFMSNH-GQCTYLIASA-N 1 2 290.319 2.245 20 5 CEBDLO Cc1c[nH+]ccc1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000107292834 186166830 /nfs/dbraw/zinc/16/68/30/186166830.db2.gz BVKMIPZZPBPKDH-UHFFFAOYSA-N 1 2 287.275 2.316 20 5 CEBDLO Cc1c[nH+]ccc1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000337314242 366141456 /nfs/dbraw/zinc/14/14/56/366141456.db2.gz BKWMDYFZNJVTIG-UHFFFAOYSA-N 1 2 296.286 2.454 20 5 CEBDLO CCOc1cccc(NCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000134909838 366372547 /nfs/dbraw/zinc/37/25/47/366372547.db2.gz UDORABUEYHNDBC-UHFFFAOYSA-N 1 2 276.296 2.302 20 5 CEBDLO Cc1ccc(C[NH2+]Cc2nnc(C(C)C)[nH]2)cc1[N+](=O)[O-] ZINC000294685835 199134536 /nfs/dbraw/zinc/13/45/36/199134536.db2.gz BWHKIQMRKCFSPZ-UHFFFAOYSA-N 1 2 289.339 2.435 20 5 CEBDLO CC(C)(O)C1C[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000297531745 200220721 /nfs/dbraw/zinc/22/07/21/200220721.db2.gz ZISJGDHXEZLSAL-UHFFFAOYSA-N 1 2 284.743 2.451 20 5 CEBDLO Cc1ncc2c(n1)CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000143411019 366568946 /nfs/dbraw/zinc/56/89/46/366568946.db2.gz NJVDWBZPDJTCOX-UHFFFAOYSA-N 1 2 284.319 2.252 20 5 CEBDLO Cc1ncc2c(n1)CC[N@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000143411019 366568950 /nfs/dbraw/zinc/56/89/50/366568950.db2.gz NJVDWBZPDJTCOX-UHFFFAOYSA-N 1 2 284.319 2.252 20 5 CEBDLO CC(=O)N1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000182173501 189316405 /nfs/dbraw/zinc/31/64/05/189316405.db2.gz VKJYZTUTRKUNHY-UHFFFAOYSA-N 1 2 291.351 2.038 20 5 CEBDLO CC(=O)N1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000182173501 189316406 /nfs/dbraw/zinc/31/64/06/189316406.db2.gz VKJYZTUTRKUNHY-UHFFFAOYSA-N 1 2 291.351 2.038 20 5 CEBDLO Cc1ccnc(N[C@H]2CCN(c3cccc[nH+]3)C2)c1[N+](=O)[O-] ZINC000301767590 201184947 /nfs/dbraw/zinc/18/49/47/201184947.db2.gz IMBKDQCSLRHMOO-LBPRGKRZSA-N 1 2 299.334 2.384 20 5 CEBDLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000093771490 364225353 /nfs/dbraw/zinc/22/53/53/364225353.db2.gz IJHINRVBBILNDB-ZDUSSCGKSA-N 1 2 291.351 2.004 20 5 CEBDLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000093771490 364225356 /nfs/dbraw/zinc/22/53/56/364225356.db2.gz IJHINRVBBILNDB-ZDUSSCGKSA-N 1 2 291.351 2.004 20 5 CEBDLO O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)cs1 ZINC000335155303 364550586 /nfs/dbraw/zinc/55/05/86/364550586.db2.gz KFQUPVWKJQVQOU-IUCAKERBSA-N 1 2 256.352 2.346 20 5 CEBDLO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H]3C[C@H]2CS3)cs1 ZINC000335155303 364550587 /nfs/dbraw/zinc/55/05/87/364550587.db2.gz KFQUPVWKJQVQOU-IUCAKERBSA-N 1 2 256.352 2.346 20 5 CEBDLO O=C(c1ccc([N+](=O)[O-])o1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000120334671 365409911 /nfs/dbraw/zinc/40/99/11/365409911.db2.gz SMKGAXDXJBCSFT-SECBINFHSA-N 1 2 290.279 2.278 20 5 CEBDLO CC(C)OCCC[NH+]=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000346709199 368782566 /nfs/dbraw/zinc/78/25/66/368782566.db2.gz MZTIPCSYYPNARE-UHFFFAOYSA-N 1 2 278.312 2.120 20 5 CEBDLO C[C@H]([NH2+]Cc1cc(C(N)=O)co1)c1cccc([N+](=O)[O-])c1 ZINC000187720579 369209841 /nfs/dbraw/zinc/20/98/41/369209841.db2.gz NOPXKEJDYHIWFK-VIFPVBQESA-N 1 2 289.291 2.138 20 5 CEBDLO CCn1cnnc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000219155382 370220903 /nfs/dbraw/zinc/22/09/03/370220903.db2.gz UQFQEILGVARTTL-JTQLQIEISA-N 1 2 275.312 2.057 20 5 CEBDLO CCc1c[nH+]ccc1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000359356640 371443413 /nfs/dbraw/zinc/44/34/13/371443413.db2.gz ZLULRYCUWCCQPV-UHFFFAOYSA-N 1 2 285.303 2.155 20 5 CEBDLO COC[C@H]1C[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000266558625 372049554 /nfs/dbraw/zinc/04/95/54/372049554.db2.gz WVJYKOWRLXVHAP-VXGBXAGGSA-N 1 2 280.324 2.003 20 5 CEBDLO COC[C@H]1C[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000266558625 372049557 /nfs/dbraw/zinc/04/95/57/372049557.db2.gz WVJYKOWRLXVHAP-VXGBXAGGSA-N 1 2 280.324 2.003 20 5 CEBDLO Cc1cnc(N[C@H]2CCN(c3cccc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000269861884 372582046 /nfs/dbraw/zinc/58/20/46/372582046.db2.gz JHJIOZCFTMTMHU-LBPRGKRZSA-N 1 2 299.334 2.384 20 5 CEBDLO C[N@H+](CC=Cc1ccccc1[N+](=O)[O-])Cc1cc[nH]n1 ZINC000353534136 220142314 /nfs/dbraw/zinc/14/23/14/220142314.db2.gz SSQFYYGUYXKJQG-XQRVVYSFSA-N 1 2 272.308 2.463 20 5 CEBDLO C[N@@H+](CC=Cc1ccccc1[N+](=O)[O-])Cc1cc[nH]n1 ZINC000353534136 220142316 /nfs/dbraw/zinc/14/23/16/220142316.db2.gz SSQFYYGUYXKJQG-XQRVVYSFSA-N 1 2 272.308 2.463 20 5 CEBDLO Cc1nnsc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000384171168 321850565 /nfs/dbraw/zinc/85/05/65/321850565.db2.gz AIKBQOPWJZQXKE-UHFFFAOYSA-N 1 2 282.300 2.184 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC=C(C)C1 ZINC000280790259 375323076 /nfs/dbraw/zinc/32/30/76/375323076.db2.gz JIYYORNNNZCFHJ-UHFFFAOYSA-N 1 2 289.335 2.494 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC=C(C)C1 ZINC000280790259 375323079 /nfs/dbraw/zinc/32/30/79/375323079.db2.gz JIYYORNNNZCFHJ-UHFFFAOYSA-N 1 2 289.335 2.494 20 5 CEBDLO C[C@@H]1CC[C@H]([N@H+](CCO)Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000330449561 377136501 /nfs/dbraw/zinc/13/65/01/377136501.db2.gz JDVOBLDYRHYAFV-YPMHNXCESA-N 1 2 294.351 2.283 20 5 CEBDLO C[C@@H]1CC[C@H]([N@@H+](CCO)Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000330449561 377136510 /nfs/dbraw/zinc/13/65/10/377136510.db2.gz JDVOBLDYRHYAFV-YPMHNXCESA-N 1 2 294.351 2.283 20 5 CEBDLO CCC[C@@]1(CO)CCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330465428 377146772 /nfs/dbraw/zinc/14/67/72/377146772.db2.gz VWPGCEVEWVNYKT-HNNXBMFYSA-N 1 2 294.351 2.427 20 5 CEBDLO CCC[C@@]1(CO)CCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330465428 377146783 /nfs/dbraw/zinc/14/67/83/377146783.db2.gz VWPGCEVEWVNYKT-HNNXBMFYSA-N 1 2 294.351 2.427 20 5 CEBDLO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCn2cc[nH+]c2C1 ZINC000332654581 377654912 /nfs/dbraw/zinc/65/49/12/377654912.db2.gz VGUVQPZNYZYIGM-LLVKDONJSA-N 1 2 272.308 2.368 20 5 CEBDLO COC[C@H]1CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000293652736 377679052 /nfs/dbraw/zinc/67/90/52/377679052.db2.gz SOPQMKXZCBSAJH-LLVKDONJSA-N 1 2 270.716 2.469 20 5 CEBDLO COC[C@H]1CC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000293652736 377679056 /nfs/dbraw/zinc/67/90/56/377679056.db2.gz SOPQMKXZCBSAJH-LLVKDONJSA-N 1 2 270.716 2.469 20 5 CEBDLO COC[C@@H]1CC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000293704421 377711693 /nfs/dbraw/zinc/71/16/93/377711693.db2.gz XKERIGGOWRCDPN-NSHDSACASA-N 1 2 270.716 2.469 20 5 CEBDLO COC[C@@H]1CC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000293704421 377711699 /nfs/dbraw/zinc/71/16/99/377711699.db2.gz XKERIGGOWRCDPN-NSHDSACASA-N 1 2 270.716 2.469 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1nnc(C(C)C)[nH]1 ZINC000294694496 378012849 /nfs/dbraw/zinc/01/28/49/378012849.db2.gz CMXGAOJNYBZPTL-UHFFFAOYSA-N 1 2 289.339 2.435 20 5 CEBDLO CCn1cc[nH+]c1[C@@H](C)Nc1c([N+](=O)[O-])c(C)nn1C ZINC000450827492 378597831 /nfs/dbraw/zinc/59/78/31/378597831.db2.gz IBLSFGVNEPSFOM-SECBINFHSA-N 1 2 278.316 2.026 20 5 CEBDLO Cc1c[nH]c(C(C)(C)NC(=O)c2ccc([N+](=O)[O-])s2)[nH+]1 ZINC000574922043 299541061 /nfs/dbraw/zinc/54/10/61/299541061.db2.gz BOMOOHSSEDFZDI-UHFFFAOYSA-N 1 2 294.336 2.353 20 5 CEBDLO CC1=CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000280871307 195009328 /nfs/dbraw/zinc/00/93/28/195009328.db2.gz OFSBTNDMCPHVSZ-UHFFFAOYSA-N 1 2 275.308 2.185 20 5 CEBDLO CC1=CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000280871307 195009331 /nfs/dbraw/zinc/00/93/31/195009331.db2.gz OFSBTNDMCPHVSZ-UHFFFAOYSA-N 1 2 275.308 2.185 20 5 CEBDLO CCn1c(C)nc([N+](=O)[O-])c1NCCNc1cccc[nH+]1 ZINC000288125868 197010143 /nfs/dbraw/zinc/01/01/43/197010143.db2.gz MDJLTZDXRGNOCB-UHFFFAOYSA-N 1 2 290.327 2.039 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@]23CCOC3)c(F)c1 ZINC000421012733 394462008 /nfs/dbraw/zinc/46/20/08/394462008.db2.gz FQEOXJBKIRNOPG-CYBMUJFWSA-N 1 2 266.272 2.099 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@]23CCOC3)c(F)c1 ZINC000421012733 394462012 /nfs/dbraw/zinc/46/20/12/394462012.db2.gz FQEOXJBKIRNOPG-CYBMUJFWSA-N 1 2 266.272 2.099 20 5 CEBDLO CC(C)(O)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413122176 394487416 /nfs/dbraw/zinc/48/74/16/394487416.db2.gz YNEIXCHNMBKUQE-UHFFFAOYSA-N 1 2 261.281 2.326 20 5 CEBDLO C[C@@H](C[S@](C)=O)Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413230063 394508452 /nfs/dbraw/zinc/50/84/52/394508452.db2.gz KNVPRRGCDDCMBE-LXGOIASLSA-N 1 2 293.348 2.322 20 5 CEBDLO CC(C)[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599059 394511468 /nfs/dbraw/zinc/51/14/68/394511468.db2.gz HNKRATOAYNRQAT-LBPRGKRZSA-N 1 2 293.367 2.187 20 5 CEBDLO CC(C)[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599059 394511470 /nfs/dbraw/zinc/51/14/70/394511470.db2.gz HNKRATOAYNRQAT-LBPRGKRZSA-N 1 2 293.367 2.187 20 5 CEBDLO C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2F)c2[nH+]ccn21 ZINC000413316748 394524504 /nfs/dbraw/zinc/52/45/04/394524504.db2.gz MGWXVTLFVFXEGK-GMSGAONNSA-N 1 2 277.259 2.443 20 5 CEBDLO CC(C)[N@H+](CCO)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000111335772 394739917 /nfs/dbraw/zinc/73/99/17/394739917.db2.gz CMRDLODUIPCIIW-UHFFFAOYSA-N 1 2 272.732 2.451 20 5 CEBDLO CC(C)[N@@H+](CCO)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000111335772 394739920 /nfs/dbraw/zinc/73/99/20/394739920.db2.gz CMRDLODUIPCIIW-UHFFFAOYSA-N 1 2 272.732 2.451 20 5 CEBDLO C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000119012294 394762424 /nfs/dbraw/zinc/76/24/24/394762424.db2.gz YMJSOPKDZWQCML-VIFPVBQESA-N 1 2 270.716 2.469 20 5 CEBDLO C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000119012294 394762427 /nfs/dbraw/zinc/76/24/27/394762427.db2.gz YMJSOPKDZWQCML-VIFPVBQESA-N 1 2 270.716 2.469 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000273415330 394788212 /nfs/dbraw/zinc/78/82/12/394788212.db2.gz IMOGJFYHSKVRMO-ZBUHCNDUSA-N 1 2 296.392 2.245 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000273415330 394788214 /nfs/dbraw/zinc/78/82/14/394788214.db2.gz IMOGJFYHSKVRMO-ZBUHCNDUSA-N 1 2 296.392 2.245 20 5 CEBDLO C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000339086728 394941357 /nfs/dbraw/zinc/94/13/57/394941357.db2.gz RZVUUEZOBADYBV-WDEREUQCSA-N 1 2 280.324 2.205 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H](CCO)c1ccco1 ZINC000339097823 394943284 /nfs/dbraw/zinc/94/32/84/394943284.db2.gz WKZMICOABYQDDJ-LBPRGKRZSA-N 1 2 292.291 2.107 20 5 CEBDLO Cc1cc[nH+]cc1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000433370332 395229664 /nfs/dbraw/zinc/22/96/64/395229664.db2.gz FLDHSNKVZCQVBM-UHFFFAOYSA-N 1 2 297.112 2.306 20 5 CEBDLO C[C@H]([NH2+]Cc1nnc(C2CC2)[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000296286223 395315422 /nfs/dbraw/zinc/31/54/22/395315422.db2.gz FEXOTBHNMSHTFS-VIFPVBQESA-N 1 2 287.323 2.441 20 5 CEBDLO Cn1c[nH+]cc1COc1ccc(F)cc1[N+](=O)[O-] ZINC000439561650 395276770 /nfs/dbraw/zinc/27/67/70/395276770.db2.gz OQRHLVDOGRCABI-UHFFFAOYSA-N 1 2 251.217 2.046 20 5 CEBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000420933667 395438675 /nfs/dbraw/zinc/43/86/75/395438675.db2.gz HXHCHVMRCUHFAX-BXUZGUMPSA-N 1 2 294.351 2.128 20 5 CEBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000420933667 395438677 /nfs/dbraw/zinc/43/86/77/395438677.db2.gz HXHCHVMRCUHFAX-BXUZGUMPSA-N 1 2 294.351 2.128 20 5 CEBDLO C[C@H]([NH2+]Cc1ncnn1CCF)c1cccc([N+](=O)[O-])c1 ZINC000281653470 400318935 /nfs/dbraw/zinc/31/89/35/400318935.db2.gz NTZIRZDQRUPGJU-JTQLQIEISA-N 1 2 293.302 2.007 20 5 CEBDLO COc1ccc(C[N@@H+]2C[C@H](C)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000195663375 286309214 /nfs/dbraw/zinc/30/92/14/286309214.db2.gz MCZAWCYZQVWXII-QWRGUYRKSA-N 1 2 280.324 2.213 20 5 CEBDLO COc1ccc(C[N@H+]2C[C@H](C)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000195663375 286309215 /nfs/dbraw/zinc/30/92/15/286309215.db2.gz MCZAWCYZQVWXII-QWRGUYRKSA-N 1 2 280.324 2.213 20 5 CEBDLO Cc1noc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2C)n1 ZINC000361612841 155617719 /nfs/dbraw/zinc/61/77/19/155617719.db2.gz WAXDYJCWHIAPCF-VIFPVBQESA-N 1 2 276.296 2.445 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1CN1CCn2c[nH+]cc2C1 ZINC000368217297 156305244 /nfs/dbraw/zinc/30/52/44/156305244.db2.gz XNMXMVVLXQKNHR-UHFFFAOYSA-N 1 2 272.308 2.116 20 5 CEBDLO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1nncn1C ZINC000037017123 287063302 /nfs/dbraw/zinc/06/33/02/287063302.db2.gz WHRMNNMLCDIVNK-NXEZZACHSA-N 1 2 275.312 2.135 20 5 CEBDLO C[C@@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H]1CO ZINC000285166886 196212181 /nfs/dbraw/zinc/21/21/81/196212181.db2.gz CGBLNJAYAWICGS-AMIZOPFISA-N 1 2 286.278 2.076 20 5 CEBDLO C[C@@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H]1CO ZINC000285166886 196212182 /nfs/dbraw/zinc/21/21/82/196212182.db2.gz CGBLNJAYAWICGS-AMIZOPFISA-N 1 2 286.278 2.076 20 5 CEBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+](CCO)C2CCC2)c(F)c1 ZINC000285328985 196252813 /nfs/dbraw/zinc/25/28/13/196252813.db2.gz OGCMXUMLMAIGDQ-UHFFFAOYSA-N 1 2 286.278 2.220 20 5 CEBDLO O=[N+]([O-])c1cc(F)c(C[N@H+](CCO)C2CCC2)c(F)c1 ZINC000285328985 196252815 /nfs/dbraw/zinc/25/28/15/196252815.db2.gz OGCMXUMLMAIGDQ-UHFFFAOYSA-N 1 2 286.278 2.220 20 5 CEBDLO C[C@@H]([NH2+]Cc1nccn1C)c1ccccc1[N+](=O)[O-] ZINC000071272971 176105002 /nfs/dbraw/zinc/10/50/02/176105002.db2.gz VBBUURKCIZHSRX-SNVBAGLBSA-N 1 2 260.297 2.179 20 5 CEBDLO CCOC[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C(C)C ZINC000339183338 270337499 /nfs/dbraw/zinc/33/74/99/270337499.db2.gz DHVYIMAODNTVTO-ZDUSSCGKSA-N 1 2 282.340 2.451 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000430195962 271361381 /nfs/dbraw/zinc/36/13/81/271361381.db2.gz PWKYIMVLRDAOPV-MNOVXSKESA-N 1 2 280.324 2.213 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C)OC[C@H]1C ZINC000430195962 271361382 /nfs/dbraw/zinc/36/13/82/271361382.db2.gz PWKYIMVLRDAOPV-MNOVXSKESA-N 1 2 280.324 2.213 20 5 CEBDLO Nc1ccc([N+](=O)[O-])c(N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000192786688 279699795 /nfs/dbraw/zinc/69/97/95/279699795.db2.gz MVYOEWPDRIICFF-UHFFFAOYSA-N 1 2 287.323 2.215 20 5 CEBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000456352635 289594770 /nfs/dbraw/zinc/59/47/70/289594770.db2.gz NQWBEBXLSYMGMJ-SNVBAGLBSA-N 1 2 288.307 2.302 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1ccn(C)n1 ZINC000459781017 290237765 /nfs/dbraw/zinc/23/77/65/290237765.db2.gz GQQBPOAYRHUFFY-JTQLQIEISA-N 1 2 290.323 2.188 20 5 CEBDLO Cn1cc[nH+]c1CSc1ccc([N+](=O)[O-])cn1 ZINC000159695829 297429910 /nfs/dbraw/zinc/42/99/10/297429910.db2.gz YGQOOUPGMQGFBA-UHFFFAOYSA-N 1 2 250.283 2.016 20 5 CEBDLO C[C@@H]([NH2+][C@H](C)c1nccc(N)n1)c1cccc([N+](=O)[O-])c1 ZINC000565158488 313800544 /nfs/dbraw/zinc/80/05/44/313800544.db2.gz SIJLBXULXUFQAD-NXEZZACHSA-N 1 2 287.323 2.209 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1-c1noc(Cn2cc[nH+]c2)n1 ZINC000573176643 314143852 /nfs/dbraw/zinc/14/38/52/314143852.db2.gz HHYLHMFMVBGLIK-UHFFFAOYSA-N 1 2 285.263 2.198 20 5 CEBDLO Cc1c[nH+]ccc1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000157335254 534712186 /nfs/dbraw/zinc/71/21/86/534712186.db2.gz ACLIRYRFRMYKBW-UHFFFAOYSA-N 1 2 272.264 2.133 20 5 CEBDLO CCC[C@H]([NH2+]C(C)C)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000355880880 528212095 /nfs/dbraw/zinc/21/20/95/528212095.db2.gz NTHINNKUACYHBA-NSHDSACASA-N 1 2 295.339 2.406 20 5 CEBDLO C[C@H]([NH2+]Cc1csc(N)n1)c1cccc([N+](=O)[O-])c1 ZINC000902488876 634704853 /nfs/dbraw/zinc/70/48/53/634704853.db2.gz PKLHIEBCVRXKGW-QMMMGPOBSA-N 1 2 278.337 2.484 20 5 CEBDLO Cc1ccnc(NCc2cc(N(C)C)cc[nH+]2)c1[N+](=O)[O-] ZINC000895466349 630207662 /nfs/dbraw/zinc/20/76/62/630207662.db2.gz RTCKRMFQQPXALE-UHFFFAOYSA-N 1 2 287.323 2.371 20 5 CEBDLO Nc1ccc([N+](=O)[O-])c(N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000800849020 631148785 /nfs/dbraw/zinc/14/87/85/631148785.db2.gz QJBFVYDHXPSODU-LBPRGKRZSA-N 1 2 287.323 2.215 20 5 CEBDLO C[C@H]([NH2+]Cc1ccon1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815585394 633034095 /nfs/dbraw/zinc/03/40/95/633034095.db2.gz GMRZLXWFEXSZIW-QMMMGPOBSA-N 1 2 262.269 2.016 20 5 CEBDLO O=[N+]([O-])CC[NH2+]Cc1cc(F)c(Br)cc1F ZINC000905383956 636241982 /nfs/dbraw/zinc/24/19/82/636241982.db2.gz KNBMXSQUHWZXIM-UHFFFAOYSA-N 1 2 295.083 2.094 20 5 CEBDLO O=C1OCC[C@H]1[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831539190 637365537 /nfs/dbraw/zinc/36/55/37/637365537.db2.gz OJSMMFDOTMWRIE-GXTWGEPZSA-N 1 2 290.319 2.090 20 5 CEBDLO O=C1OCC[C@H]1[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831539190 637365544 /nfs/dbraw/zinc/36/55/44/637365544.db2.gz OJSMMFDOTMWRIE-GXTWGEPZSA-N 1 2 290.319 2.090 20 5 CEBDLO O=C1OCC[C@@H]1[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831539192 637365646 /nfs/dbraw/zinc/36/56/46/637365646.db2.gz OJSMMFDOTMWRIE-OCCSQVGLSA-N 1 2 290.319 2.090 20 5 CEBDLO O=C1OCC[C@@H]1[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831539192 637365654 /nfs/dbraw/zinc/36/56/54/637365654.db2.gz OJSMMFDOTMWRIE-OCCSQVGLSA-N 1 2 290.319 2.090 20 5 CEBDLO C[C@@H]1C[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)CCS1 ZINC000171606381 639724304 /nfs/dbraw/zinc/72/43/04/639724304.db2.gz KKWIYAUPEQYSTN-SNVBAGLBSA-N 1 2 292.364 2.339 20 5 CEBDLO C[C@@H]1C[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)CCS1 ZINC000171606381 639724306 /nfs/dbraw/zinc/72/43/06/639724306.db2.gz KKWIYAUPEQYSTN-SNVBAGLBSA-N 1 2 292.364 2.339 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000923029457 643523298 /nfs/dbraw/zinc/52/32/98/643523298.db2.gz GYFVNUSABCYYOQ-CQSZACIVSA-N 1 2 292.335 2.492 20 5 CEBDLO COCc1cc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000877730237 650876050 /nfs/dbraw/zinc/87/60/50/650876050.db2.gz RNCWNEMZFZSTRR-UHFFFAOYSA-N 1 2 291.307 2.327 20 5 CEBDLO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1nncn1C ZINC000761520222 645293422 /nfs/dbraw/zinc/29/34/22/645293422.db2.gz MRPNTXDZNHTRMM-MRVPVSSYSA-N 1 2 295.730 2.228 20 5 CEBDLO O=[N+]([O-])c1ccc(CN2CCc3[nH+]c[nH]c3C2)cc1F ZINC000859305775 645452798 /nfs/dbraw/zinc/45/27/98/645452798.db2.gz NOYOAVCETHASNU-UHFFFAOYSA-N 1 2 276.271 2.015 20 5 CEBDLO O=C(C[N@H+]1CC=CCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000778965597 647277537 /nfs/dbraw/zinc/27/75/37/647277537.db2.gz CNVQGBWOJJJQRR-UHFFFAOYSA-N 1 2 295.726 2.449 20 5 CEBDLO O=C(C[N@@H+]1CC=CCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000778965597 647277540 /nfs/dbraw/zinc/27/75/40/647277540.db2.gz CNVQGBWOJJJQRR-UHFFFAOYSA-N 1 2 295.726 2.449 20 5 CEBDLO CCCn1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)nn1 ZINC000865541894 647351523 /nfs/dbraw/zinc/35/15/23/647351523.db2.gz JGSJRWMXRDOQQF-UHFFFAOYSA-N 1 2 289.339 2.195 20 5 CEBDLO C[N@H+](CC[N+](=O)[O-])Cc1ccc(Br)s1 ZINC000791053748 648476936 /nfs/dbraw/zinc/47/69/36/648476936.db2.gz OQZTXAQAJONCEI-UHFFFAOYSA-N 1 2 279.159 2.219 20 5 CEBDLO C[N@@H+](CC[N+](=O)[O-])Cc1ccc(Br)s1 ZINC000791053748 648476938 /nfs/dbraw/zinc/47/69/38/648476938.db2.gz OQZTXAQAJONCEI-UHFFFAOYSA-N 1 2 279.159 2.219 20 5 CEBDLO CCn1cnnc1C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873014492 649531603 /nfs/dbraw/zinc/53/16/03/649531603.db2.gz RMHVPILORSUVOW-UHFFFAOYSA-N 1 2 289.339 2.113 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(F)CC1 ZINC000880242242 651407736 /nfs/dbraw/zinc/40/77/36/651407736.db2.gz ZHAORRRAWQYHFM-UHFFFAOYSA-N 1 2 295.314 2.276 20 5 CEBDLO Nc1cc(CNc2cc(Cl)ncc2[N+](=O)[O-])cc[nH+]1 ZINC001156755693 811900322 /nfs/dbraw/zinc/90/03/22/811900322.db2.gz IPMZQCUBPMBWHZ-UHFFFAOYSA-N 1 2 279.687 2.233 20 5 CEBDLO CC(C)OC(=O)[C@H](C)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173209524 815635598 /nfs/dbraw/zinc/63/55/98/815635598.db2.gz CQWXALIHRLMXNL-NEPJUHHUSA-N 1 2 294.351 2.456 20 5 CEBDLO CCc1c[nH+]ccc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000357590824 529503286 /nfs/dbraw/zinc/50/32/86/529503286.db2.gz GWPGJOQRWPWZBN-UHFFFAOYSA-N 1 2 271.276 2.226 20 5 CEBDLO COC(=O)N1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000053373330 343574486 /nfs/dbraw/zinc/57/44/86/343574486.db2.gz VWHXGWDYBYOEBT-LLVKDONJSA-N 1 2 293.323 2.040 20 5 CEBDLO CC(C)Cn1cc[nH+]c1CNc1ccc([N+](=O)[O-])cn1 ZINC000078336737 343947594 /nfs/dbraw/zinc/94/75/94/343947594.db2.gz SBWLUFDKOMGVEC-UHFFFAOYSA-N 1 2 275.312 2.454 20 5 CEBDLO CCC[N@H+](CC(=O)OCC)Cc1ccc([N+](=O)[O-])cc1 ZINC000049947327 362385687 /nfs/dbraw/zinc/38/56/87/362385687.db2.gz RDVKTHTVDKYQLF-UHFFFAOYSA-N 1 2 280.324 2.370 20 5 CEBDLO CCC[N@@H+](CC(=O)OCC)Cc1ccc([N+](=O)[O-])cc1 ZINC000049947327 362385693 /nfs/dbraw/zinc/38/56/93/362385693.db2.gz RDVKTHTVDKYQLF-UHFFFAOYSA-N 1 2 280.324 2.370 20 5 CEBDLO C[C@@H](Cn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])s1 ZINC000589559042 345086555 /nfs/dbraw/zinc/08/65/55/345086555.db2.gz ZVOCMWCCAZHQLH-QMMMGPOBSA-N 1 2 252.299 2.353 20 5 CEBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000590972367 345208930 /nfs/dbraw/zinc/20/89/30/345208930.db2.gz LQZJCEIBKHYHCC-YGRLFVJLSA-N 1 2 280.299 2.345 20 5 CEBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000590972367 345208933 /nfs/dbraw/zinc/20/89/33/345208933.db2.gz LQZJCEIBKHYHCC-YGRLFVJLSA-N 1 2 280.299 2.345 20 5 CEBDLO COc1c(C)[nH+]cnc1NCc1cccc([N+](=O)[O-])c1C ZINC000594572166 345649779 /nfs/dbraw/zinc/64/97/79/345649779.db2.gz PBVSGFNVZXZGIH-UHFFFAOYSA-N 1 2 288.307 2.044 20 5 CEBDLO C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c2ncnn21 ZINC000595064070 345738090 /nfs/dbraw/zinc/73/80/90/345738090.db2.gz CNDLSJYZGVUWSA-WQAKAFBOSA-N 1 2 299.334 2.469 20 5 CEBDLO Cc1noc(C[NH+]2C[C@H](C)S[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595327357 345762360 /nfs/dbraw/zinc/76/23/60/345762360.db2.gz QOGPPTMXLVYNCE-YUMQZZPRSA-N 1 2 271.342 2.217 20 5 CEBDLO Cc1noc(C[NH2+][C@@H](CCO)c2ccccc2)c1[N+](=O)[O-] ZINC000595411426 345776734 /nfs/dbraw/zinc/77/67/34/345776734.db2.gz PQYOCWSOTZNUNX-LBPRGKRZSA-N 1 2 291.307 2.105 20 5 CEBDLO C[C@@H]1C[NH+](Cc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1=O ZINC000595711606 345857432 /nfs/dbraw/zinc/85/74/32/345857432.db2.gz AXKIGOONXIZWJQ-GHMZBOCLSA-N 1 2 262.309 2.252 20 5 CEBDLO C[C@@H](O)[C@H]1CCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000595766590 345871348 /nfs/dbraw/zinc/87/13/48/345871348.db2.gz QHCXNTWBRDJAAT-AMIZOPFISA-N 1 2 286.278 2.218 20 5 CEBDLO C[C@@H](O)[C@H]1CCC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000595766590 345871349 /nfs/dbraw/zinc/87/13/49/345871349.db2.gz QHCXNTWBRDJAAT-AMIZOPFISA-N 1 2 286.278 2.218 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000596432711 346022405 /nfs/dbraw/zinc/02/24/05/346022405.db2.gz SCINMWZLDOMRQF-OLZOCXBDSA-N 1 2 293.367 2.424 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000596432711 346022408 /nfs/dbraw/zinc/02/24/08/346022408.db2.gz SCINMWZLDOMRQF-OLZOCXBDSA-N 1 2 293.367 2.424 20 5 CEBDLO Cc1nc(N[C@@H](C)c2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000596542726 346050314 /nfs/dbraw/zinc/05/03/14/346050314.db2.gz PLKACASOLYQHNF-VIFPVBQESA-N 1 2 261.285 2.205 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000598465340 346360951 /nfs/dbraw/zinc/36/09/51/346360951.db2.gz QKZWJRDBKAFQEM-JTQLQIEISA-N 1 2 288.307 2.128 20 5 CEBDLO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000599000367 346444665 /nfs/dbraw/zinc/44/46/65/346444665.db2.gz SFGBNBZZARGAEO-QOBXEIRBSA-N 1 2 280.324 2.202 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCc2n[nH]cc2C1 ZINC000598940090 346434985 /nfs/dbraw/zinc/43/49/85/346434985.db2.gz LUWCRDAYHFDCJS-UHFFFAOYSA-N 1 2 272.308 2.185 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCc2n[nH]cc2C1 ZINC000598940090 346434988 /nfs/dbraw/zinc/43/49/88/346434988.db2.gz LUWCRDAYHFDCJS-UHFFFAOYSA-N 1 2 272.308 2.185 20 5 CEBDLO COC[C@@H](CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-])OC ZINC000599065708 346454749 /nfs/dbraw/zinc/45/47/49/346454749.db2.gz MEVDDWACWPVWNX-LLVKDONJSA-N 1 2 291.307 2.216 20 5 CEBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC2(COC2)C1 ZINC000599110309 346461077 /nfs/dbraw/zinc/46/10/77/346461077.db2.gz PSLDTXINZDAXJB-UHFFFAOYSA-N 1 2 285.303 2.370 20 5 CEBDLO O=[N+]([O-])c1cc(F)ccc1CN1CCc2[nH+]c[nH]c2C1 ZINC000599421610 346516272 /nfs/dbraw/zinc/51/62/72/346516272.db2.gz FVCLINYCYFKZDM-UHFFFAOYSA-N 1 2 276.271 2.015 20 5 CEBDLO COC[C@]1(C)C[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000599694433 346570323 /nfs/dbraw/zinc/57/03/23/346570323.db2.gz UAFRTVUFPLFGPZ-WFASDCNBSA-N 1 2 294.351 2.393 20 5 CEBDLO COC[C@]1(C)C[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000599694433 346570328 /nfs/dbraw/zinc/57/03/28/346570328.db2.gz UAFRTVUFPLFGPZ-WFASDCNBSA-N 1 2 294.351 2.393 20 5 CEBDLO COC[C@]1(C)C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CCO1 ZINC000600212572 346624034 /nfs/dbraw/zinc/62/40/34/346624034.db2.gz GHUCTTMWCQDCAF-HNNXBMFYSA-N 1 2 294.351 2.141 20 5 CEBDLO COC[C@]1(C)C[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CCO1 ZINC000600212572 346624037 /nfs/dbraw/zinc/62/40/37/346624037.db2.gz GHUCTTMWCQDCAF-HNNXBMFYSA-N 1 2 294.351 2.141 20 5 CEBDLO COc1cc(C[NH+]2CC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000602750822 347185282 /nfs/dbraw/zinc/18/52/82/347185282.db2.gz COCPGKVYWOJTGX-UHFFFAOYSA-N 1 2 280.324 2.454 20 5 CEBDLO CO[C@H]1C[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000602896401 347241007 /nfs/dbraw/zinc/24/10/07/347241007.db2.gz GPWJEHYXWXQVKZ-BXUZGUMPSA-N 1 2 280.324 2.269 20 5 CEBDLO CO[C@H]1C[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000602896401 347241012 /nfs/dbraw/zinc/24/10/12/347241012.db2.gz GPWJEHYXWXQVKZ-BXUZGUMPSA-N 1 2 280.324 2.269 20 5 CEBDLO CC(C)OC(=O)[C@@H](C)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000129747648 365891974 /nfs/dbraw/zinc/89/19/74/365891974.db2.gz JPQUCNXHAXHQKK-LLVKDONJSA-N 1 2 280.324 2.367 20 5 CEBDLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000129747648 365891980 /nfs/dbraw/zinc/89/19/80/365891980.db2.gz JPQUCNXHAXHQKK-LLVKDONJSA-N 1 2 280.324 2.367 20 5 CEBDLO O=[N+]([O-])c1ccc(N2CCC[C@@H](n3cc[nH+]c3)C2)nc1 ZINC000609132951 347626750 /nfs/dbraw/zinc/62/67/50/347626750.db2.gz YRBHCHRNCYULAD-GFCCVEGCSA-N 1 2 273.296 2.028 20 5 CEBDLO COc1cc(C[N@@H+]2CCCOC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000613383054 348036269 /nfs/dbraw/zinc/03/62/69/348036269.db2.gz OYXFIVHTPBTXPR-JTQLQIEISA-N 1 2 298.314 2.353 20 5 CEBDLO COc1cc(C[N@H+]2CCCOC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000613383054 348036271 /nfs/dbraw/zinc/03/62/71/348036271.db2.gz OYXFIVHTPBTXPR-JTQLQIEISA-N 1 2 298.314 2.353 20 5 CEBDLO O=[N+]([O-])c1cnccc1NCc1ccc(N2CCCC2)[nH+]c1 ZINC000357131968 233011224 /nfs/dbraw/zinc/01/12/24/233011224.db2.gz YVBUBBLFUQGILI-UHFFFAOYSA-N 1 2 299.334 2.019 20 5 CEBDLO O=C(Nc1c[nH+]c2n1CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000452339245 283260384 /nfs/dbraw/zinc/26/03/84/283260384.db2.gz FCMINTZCEZUSCH-UHFFFAOYSA-N 1 2 286.291 2.380 20 5 CEBDLO CC1(C)C[N@H+](CCNc2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000342102688 216219569 /nfs/dbraw/zinc/21/95/69/216219569.db2.gz AFDUPSCMJUHMIA-UHFFFAOYSA-N 1 2 297.330 2.257 20 5 CEBDLO CC1(C)C[N@@H+](CCNc2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000342102688 216219572 /nfs/dbraw/zinc/21/95/72/216219572.db2.gz AFDUPSCMJUHMIA-UHFFFAOYSA-N 1 2 297.330 2.257 20 5 CEBDLO Cc1ccc(C[N@@H+]2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000179861956 189224743 /nfs/dbraw/zinc/22/47/43/189224743.db2.gz AWOQVJIIRBPCDK-LLVKDONJSA-N 1 2 250.298 2.124 20 5 CEBDLO Cc1ccc(C[N@H+]2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000179861956 189224744 /nfs/dbraw/zinc/22/47/44/189224744.db2.gz AWOQVJIIRBPCDK-LLVKDONJSA-N 1 2 250.298 2.124 20 5 CEBDLO O=[N+]([O-])c1cnc(NCc2ccc(-n3cc[nH+]c3)cc2)nc1 ZINC000302118052 201347848 /nfs/dbraw/zinc/34/78/48/201347848.db2.gz SIQJDQNHGGLJFC-UHFFFAOYSA-N 1 2 296.290 2.183 20 5 CEBDLO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCO1 ZINC000094774303 364295105 /nfs/dbraw/zinc/29/51/05/364295105.db2.gz WEOGUPJZIROGST-NSHDSACASA-N 1 2 268.288 2.345 20 5 CEBDLO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCO1 ZINC000094774303 364295107 /nfs/dbraw/zinc/29/51/07/364295107.db2.gz WEOGUPJZIROGST-NSHDSACASA-N 1 2 268.288 2.345 20 5 CEBDLO Cc1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)cc[nH+]1 ZINC000102890152 364615429 /nfs/dbraw/zinc/61/54/29/364615429.db2.gz PJQUONWBQJNRCZ-UHFFFAOYSA-N 1 2 290.254 2.272 20 5 CEBDLO Cc1cc(NC[C@H](C)O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000120187993 365385716 /nfs/dbraw/zinc/38/57/16/365385716.db2.gz DKBOBWDJDJRYFO-JTQLQIEISA-N 1 2 288.307 2.153 20 5 CEBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1[nH]cc[nH+]1 ZINC000120227071 365391864 /nfs/dbraw/zinc/39/18/64/365391864.db2.gz ZFOXWMSMZXSVJB-UHFFFAOYSA-N 1 2 289.295 2.256 20 5 CEBDLO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])s2)C[C@@H]1C ZINC000345901038 368475899 /nfs/dbraw/zinc/47/58/99/368475899.db2.gz HMRCOMHZLAJIQG-UWVGGRQHSA-N 1 2 297.380 2.211 20 5 CEBDLO CC[N@H+]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])s2)C[C@@H]1C ZINC000345901038 368475905 /nfs/dbraw/zinc/47/59/05/368475905.db2.gz HMRCOMHZLAJIQG-UWVGGRQHSA-N 1 2 297.380 2.211 20 5 CEBDLO COC(=O)[C@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H]1C ZINC000191791007 369743215 /nfs/dbraw/zinc/74/32/15/369743215.db2.gz VUVLDGYYZNBISE-ONGXEEELSA-N 1 2 298.364 2.287 20 5 CEBDLO COC(=O)[C@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H]1C ZINC000191791007 369743221 /nfs/dbraw/zinc/74/32/21/369743221.db2.gz VUVLDGYYZNBISE-ONGXEEELSA-N 1 2 298.364 2.287 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000249366718 371315970 /nfs/dbraw/zinc/31/59/70/371315970.db2.gz OLUVFWATPBHWAP-MBNYWOFBSA-N 1 2 294.351 2.046 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000249366718 371315973 /nfs/dbraw/zinc/31/59/73/371315973.db2.gz OLUVFWATPBHWAP-MBNYWOFBSA-N 1 2 294.351 2.046 20 5 CEBDLO [NH3+][C@H]1CCCC[C@@H]1CC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000261609027 371678040 /nfs/dbraw/zinc/67/80/40/371678040.db2.gz DNNRQIHPFCOXGQ-KOLCDFICSA-N 1 2 293.323 2.147 20 5 CEBDLO CC[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CCOC1 ZINC000361590368 371956601 /nfs/dbraw/zinc/95/66/01/371956601.db2.gz UKFPMOOJGUUHJN-SECBINFHSA-N 1 2 286.278 2.484 20 5 CEBDLO CC[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CCOC1 ZINC000361590368 371956609 /nfs/dbraw/zinc/95/66/09/371956609.db2.gz UKFPMOOJGUUHJN-SECBINFHSA-N 1 2 286.278 2.484 20 5 CEBDLO CN(Cc1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1F ZINC000270945326 373026920 /nfs/dbraw/zinc/02/69/20/373026920.db2.gz NKSYHZMBDNGJSC-UHFFFAOYSA-N 1 2 264.260 2.104 20 5 CEBDLO O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000371517854 373910198 /nfs/dbraw/zinc/91/01/98/373910198.db2.gz GFLCRONTYVJVAK-VIFPVBQESA-N 1 2 292.320 2.357 20 5 CEBDLO Cc1cn2c([nH+]1)[C@@H](CNc1ncccc1[N+](=O)[O-])CCC2 ZINC000372740413 374188433 /nfs/dbraw/zinc/18/84/33/374188433.db2.gz KXLXXXPSKUVFOO-LLVKDONJSA-N 1 2 287.323 2.484 20 5 CEBDLO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ncnn1C ZINC000276788077 374299776 /nfs/dbraw/zinc/29/97/76/374299776.db2.gz XQAKYDJBWHACNR-QMMMGPOBSA-N 1 2 295.730 2.228 20 5 CEBDLO Cc1ccc(C[N@@H+]2CCC[C@@](F)(CO)C2)cc1[N+](=O)[O-] ZINC000289942955 376571634 /nfs/dbraw/zinc/57/16/34/376571634.db2.gz XGDTYEHLCPGIRZ-AWEZNQCLSA-N 1 2 282.315 2.200 20 5 CEBDLO Cc1ccc(C[N@H+]2CCC[C@@](F)(CO)C2)cc1[N+](=O)[O-] ZINC000289942955 376571639 /nfs/dbraw/zinc/57/16/39/376571639.db2.gz XGDTYEHLCPGIRZ-AWEZNQCLSA-N 1 2 282.315 2.200 20 5 CEBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000420943794 376744077 /nfs/dbraw/zinc/74/40/77/376744077.db2.gz RLGCWBIWBLIDJR-VXGBXAGGSA-N 1 2 294.351 2.128 20 5 CEBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000420943794 376744080 /nfs/dbraw/zinc/74/40/80/376744080.db2.gz RLGCWBIWBLIDJR-VXGBXAGGSA-N 1 2 294.351 2.128 20 5 CEBDLO CC(=O)c1cc(N[C@H](C)Cn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000290460442 376789039 /nfs/dbraw/zinc/78/90/39/376789039.db2.gz FEMVAKXIBABVMG-SNVBAGLBSA-N 1 2 288.307 2.495 20 5 CEBDLO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330566916 377188500 /nfs/dbraw/zinc/18/85/00/377188500.db2.gz AWDNRHYBQIIYAD-VHSXEESVSA-N 1 2 293.323 2.436 20 5 CEBDLO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330566916 377188510 /nfs/dbraw/zinc/18/85/10/377188510.db2.gz AWDNRHYBQIIYAD-VHSXEESVSA-N 1 2 293.323 2.436 20 5 CEBDLO Cc1ccc(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc1[N+](=O)[O-] ZINC000563547220 377250359 /nfs/dbraw/zinc/25/03/59/377250359.db2.gz RHZHDAWEWHEGAG-SNVBAGLBSA-N 1 2 288.307 2.444 20 5 CEBDLO Cc1ccc(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc1[N+](=O)[O-] ZINC000563547220 377250366 /nfs/dbraw/zinc/25/03/66/377250366.db2.gz RHZHDAWEWHEGAG-SNVBAGLBSA-N 1 2 288.307 2.444 20 5 CEBDLO O=[N+]([O-])c1ccc(N2CCC[C@H]2c2[nH]cc[nH+]2)nc1 ZINC000364038489 285124902 /nfs/dbraw/zinc/12/49/02/285124902.db2.gz WIKLDBRUTVWGBI-JTQLQIEISA-N 1 2 259.269 2.054 20 5 CEBDLO CN(C)c1ccc(NCc2ccc([N+](=O)[O-])cc2F)[nH+]c1 ZINC000350312265 219006081 /nfs/dbraw/zinc/00/60/81/219006081.db2.gz NXIKWHUOYBSHBP-UHFFFAOYSA-N 1 2 290.298 2.229 20 5 CEBDLO CC1(C)COCC[N@@H+]1CCNc1c(F)cccc1[N+](=O)[O-] ZINC000342067521 130232573 /nfs/dbraw/zinc/23/25/73/130232573.db2.gz USTQJXAXDTVBHA-UHFFFAOYSA-N 1 2 297.330 2.257 20 5 CEBDLO CC1(C)COCC[N@H+]1CCNc1c(F)cccc1[N+](=O)[O-] ZINC000342067521 130232576 /nfs/dbraw/zinc/23/25/76/130232576.db2.gz USTQJXAXDTVBHA-UHFFFAOYSA-N 1 2 297.330 2.257 20 5 CEBDLO Cc1ccc(C[N@H+](CCO)Cc2ccccc2[N+](=O)[O-])o1 ZINC000355646056 394486716 /nfs/dbraw/zinc/48/67/16/394486716.db2.gz AUEHNYCWTNTNJT-UHFFFAOYSA-N 1 2 290.319 2.491 20 5 CEBDLO Cc1ccc(C[N@@H+](CCO)Cc2ccccc2[N+](=O)[O-])o1 ZINC000355646056 394486718 /nfs/dbraw/zinc/48/67/18/394486718.db2.gz AUEHNYCWTNTNJT-UHFFFAOYSA-N 1 2 290.319 2.491 20 5 CEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NC[C@@H](O)C(F)F)c2c1 ZINC000413183939 394500071 /nfs/dbraw/zinc/50/00/71/394500071.db2.gz WNFABDDPEYMLEZ-SNVBAGLBSA-N 1 2 283.234 2.181 20 5 CEBDLO C[C@H](O)[C@@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413226153 394508409 /nfs/dbraw/zinc/50/84/09/394508409.db2.gz DIMGJQUVMFMITA-CMPLNLGQSA-N 1 2 287.319 2.350 20 5 CEBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1ccc(CO)o1)CC2 ZINC000093338327 394664322 /nfs/dbraw/zinc/66/43/22/394664322.db2.gz GRVBPBXUUZBVQI-UHFFFAOYSA-N 1 2 288.303 2.238 20 5 CEBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1ccc(CO)o1)CC2 ZINC000093338327 394664326 /nfs/dbraw/zinc/66/43/26/394664326.db2.gz GRVBPBXUUZBVQI-UHFFFAOYSA-N 1 2 288.303 2.238 20 5 CEBDLO CCOc1cc(N(C)Cc2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000356868371 394636522 /nfs/dbraw/zinc/63/65/22/394636522.db2.gz UMXJQRGYRLUKIF-UHFFFAOYSA-N 1 2 276.296 2.353 20 5 CEBDLO CC(C)(O)C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000339094838 394943182 /nfs/dbraw/zinc/94/31/82/394943182.db2.gz XSOVJTPXFFEHDI-UHFFFAOYSA-N 1 2 280.324 2.036 20 5 CEBDLO CC(C)(O)C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000339094838 394943184 /nfs/dbraw/zinc/94/31/84/394943184.db2.gz XSOVJTPXFFEHDI-UHFFFAOYSA-N 1 2 280.324 2.036 20 5 CEBDLO O=[N+]([O-])c1cnn(CCSc2[nH+]cc3ccccn32)c1 ZINC000153722827 395015774 /nfs/dbraw/zinc/01/57/74/395015774.db2.gz BNZFMKGWHYZABJ-UHFFFAOYSA-N 1 2 289.320 2.231 20 5 CEBDLO CC(C)n1cc(C[NH2+]Cc2ccccc2[N+](=O)[O-])nn1 ZINC000289912486 395090626 /nfs/dbraw/zinc/09/06/26/395090626.db2.gz ZCGVQLKJZSUUKL-UHFFFAOYSA-N 1 2 275.312 2.057 20 5 CEBDLO CCn1cnnc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000158416967 395044621 /nfs/dbraw/zinc/04/46/21/395044621.db2.gz WLLZTLOJCZFIIZ-NSHDSACASA-N 1 2 289.339 2.365 20 5 CEBDLO CC(C)([NH2+]Cc1cc[nH]n1)c1ccccc1[N+](=O)[O-] ZINC000291681691 395152635 /nfs/dbraw/zinc/15/26/35/395152635.db2.gz HSQOANOFMPEHED-UHFFFAOYSA-N 1 2 260.297 2.343 20 5 CEBDLO C[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1nncn1C ZINC000516663093 395182992 /nfs/dbraw/zinc/18/29/92/395182992.db2.gz DCLWEQFIGAMGGF-JOYOIKCWSA-N 1 2 287.323 2.061 20 5 CEBDLO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192638651 395388717 /nfs/dbraw/zinc/38/87/17/395388717.db2.gz VFIZIARYBHDUNL-LLVKDONJSA-N 1 2 293.367 2.330 20 5 CEBDLO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192638651 395388721 /nfs/dbraw/zinc/38/87/21/395388721.db2.gz VFIZIARYBHDUNL-LLVKDONJSA-N 1 2 293.367 2.330 20 5 CEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)Cc1cccc2[nH]ccc21 ZINC000494099570 395679081 /nfs/dbraw/zinc/67/90/81/395679081.db2.gz SHAFVPYIKHMGMN-UHFFFAOYSA-N 1 2 299.334 2.442 20 5 CEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)Cc1cccc2[nH]ccc21 ZINC000494099570 395679082 /nfs/dbraw/zinc/67/90/82/395679082.db2.gz SHAFVPYIKHMGMN-UHFFFAOYSA-N 1 2 299.334 2.442 20 5 CEBDLO O=[N+]([O-])c1cnc(C(F)(F)F)cc1-n1cc[nH+]c1 ZINC000236116754 296519116 /nfs/dbraw/zinc/51/91/16/296519116.db2.gz BPRDHOSDTSIYCT-UHFFFAOYSA-N 1 2 258.159 2.194 20 5 CEBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCOCC2(CC2)C1 ZINC000360086380 155212136 /nfs/dbraw/zinc/21/21/36/155212136.db2.gz CNSNHFMIBRDVLZ-UHFFFAOYSA-N 1 2 280.299 2.346 20 5 CEBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCOCC2(CC2)C1 ZINC000360086380 155212138 /nfs/dbraw/zinc/21/21/38/155212138.db2.gz CNSNHFMIBRDVLZ-UHFFFAOYSA-N 1 2 280.299 2.346 20 5 CEBDLO C[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1cnn(C)c1 ZINC000285479308 196297555 /nfs/dbraw/zinc/29/75/55/196297555.db2.gz COVJVPOSQQVGDM-MRVPVSSYSA-N 1 2 296.277 2.457 20 5 CEBDLO CN(CCCn1cc[nH+]c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000268961380 270331069 /nfs/dbraw/zinc/33/10/69/270331069.db2.gz LHWRSCVQYIZGLG-UHFFFAOYSA-N 1 2 278.287 2.457 20 5 CEBDLO CCn1nc(C)c(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000295485861 276717964 /nfs/dbraw/zinc/71/79/64/276717964.db2.gz SJUJLCXKBZVLBL-JTQLQIEISA-N 1 2 289.339 2.365 20 5 CEBDLO COc1cc(C[NH+]2CC(C)C2)c([N+](=O)[O-])cc1OC ZINC000338954389 277813639 /nfs/dbraw/zinc/81/36/39/277813639.db2.gz YMBNRUXDGAOYRX-UHFFFAOYSA-N 1 2 266.297 2.064 20 5 CEBDLO C[C@@H]1C[C@H](O)CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413581198 279000743 /nfs/dbraw/zinc/00/07/43/279000743.db2.gz LWXPMKXBBVGUAF-MFKMUULPSA-N 1 2 287.319 2.350 20 5 CEBDLO Cc1ccn2cc(CNc3ccc([N+](=O)[O-])c(C)n3)[nH+]c2c1 ZINC000471638762 290275202 /nfs/dbraw/zinc/27/52/02/290275202.db2.gz UUBJJMJRDPPLQQ-UHFFFAOYSA-N 1 2 297.318 2.288 20 5 CEBDLO C[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H](C)[C@@H](C)O1 ZINC000339112769 297030289 /nfs/dbraw/zinc/03/02/89/297030289.db2.gz TVDRYMZGWOLAQF-GMTAPVOTSA-N 1 2 280.324 2.298 20 5 CEBDLO C[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H](C)[C@@H](C)O1 ZINC000339112769 297030291 /nfs/dbraw/zinc/03/02/91/297030291.db2.gz TVDRYMZGWOLAQF-GMTAPVOTSA-N 1 2 280.324 2.298 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1NCC[N@@H+]1CCO[C@H](C)C1 ZINC000532205474 298135521 /nfs/dbraw/zinc/13/55/21/298135521.db2.gz NJFUTHJJJUQGCX-GFCCVEGCSA-N 1 2 279.340 2.036 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1NCC[N@H+]1CCO[C@H](C)C1 ZINC000532205474 298135522 /nfs/dbraw/zinc/13/55/22/298135522.db2.gz NJFUTHJJJUQGCX-GFCCVEGCSA-N 1 2 279.340 2.036 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1[C@H](C)C[C@H]1C ZINC000548098287 313553679 /nfs/dbraw/zinc/55/36/79/313553679.db2.gz MJMJPBNMZXZYCG-GHMZBOCLSA-N 1 2 277.324 2.324 20 5 CEBDLO C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000580645144 322332384 /nfs/dbraw/zinc/33/23/84/322332384.db2.gz XLDYPBYKVJJIDX-SNVBAGLBSA-N 1 2 295.339 2.263 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)Cc1cnccn1 ZINC000183304881 525564311 /nfs/dbraw/zinc/56/43/11/525564311.db2.gz SLDDZBAXIKQIHD-UHFFFAOYSA-N 1 2 272.308 2.325 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1cnccn1 ZINC000183304881 525564316 /nfs/dbraw/zinc/56/43/16/525564316.db2.gz SLDDZBAXIKQIHD-UHFFFAOYSA-N 1 2 272.308 2.325 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1N[C@@H](C)C[NH+]1CCOCC1 ZINC000049509323 525570685 /nfs/dbraw/zinc/57/06/85/525570685.db2.gz PTMUYFHYUVUQRE-LBPRGKRZSA-N 1 2 279.340 2.036 20 5 CEBDLO C[C@H]([NH2+][C@H](C(N)=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000056196739 525593015 /nfs/dbraw/zinc/59/30/15/525593015.db2.gz CVECQGWNEQLTKW-NHYWBVRUSA-N 1 2 299.330 2.472 20 5 CEBDLO C[N@@H+]1CCCC[C@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000741145639 574976906 /nfs/dbraw/zinc/97/69/06/574976906.db2.gz YSYVRAWGKZULRM-ZDUSSCGKSA-N 1 2 278.308 2.122 20 5 CEBDLO C[N@H+]1CCCC[C@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000741145639 574976908 /nfs/dbraw/zinc/97/69/08/574976908.db2.gz YSYVRAWGKZULRM-ZDUSSCGKSA-N 1 2 278.308 2.122 20 5 CEBDLO C[N@@H+]1CCCC[C@@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000741145638 574976958 /nfs/dbraw/zinc/97/69/58/574976958.db2.gz YSYVRAWGKZULRM-CYBMUJFWSA-N 1 2 278.308 2.122 20 5 CEBDLO C[N@H+]1CCCC[C@@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000741145638 574976960 /nfs/dbraw/zinc/97/69/60/574976960.db2.gz YSYVRAWGKZULRM-CYBMUJFWSA-N 1 2 278.308 2.122 20 5 CEBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](O)[C@H](F)C1 ZINC000898187506 632101093 /nfs/dbraw/zinc/10/10/93/632101093.db2.gz KIKFQOVHHCLDGU-PHACEPHWSA-N 1 2 294.326 2.403 20 5 CEBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](O)[C@H](F)C1 ZINC000898187506 632101095 /nfs/dbraw/zinc/10/10/95/632101095.db2.gz KIKFQOVHHCLDGU-PHACEPHWSA-N 1 2 294.326 2.403 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCc2n[nH]cc2C1 ZINC000877649145 650833267 /nfs/dbraw/zinc/83/32/67/650833267.db2.gz OMUXBINJJVLEQI-UHFFFAOYSA-N 1 2 286.335 2.493 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCc2n[nH]cc2C1 ZINC000877649145 650833270 /nfs/dbraw/zinc/83/32/70/650833270.db2.gz OMUXBINJJVLEQI-UHFFFAOYSA-N 1 2 286.335 2.493 20 5 CEBDLO Cc1nn(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000766122402 645851158 /nfs/dbraw/zinc/85/11/58/645851158.db2.gz XCHCPRWSGJTDJI-VIFPVBQESA-N 1 2 292.261 2.332 20 5 CEBDLO Cc1nn(C[N@H+]2CC[C@@H](CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000766122402 645851161 /nfs/dbraw/zinc/85/11/61/645851161.db2.gz XCHCPRWSGJTDJI-VIFPVBQESA-N 1 2 292.261 2.332 20 5 CEBDLO C[C@H]1CCOCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000769788793 646315893 /nfs/dbraw/zinc/31/58/93/646315893.db2.gz ZCMGMALAXRBFSN-JTQLQIEISA-N 1 2 290.323 2.082 20 5 CEBDLO C[C@H]1CCOCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000769788793 646315900 /nfs/dbraw/zinc/31/59/00/646315900.db2.gz ZCMGMALAXRBFSN-JTQLQIEISA-N 1 2 290.323 2.082 20 5 CEBDLO CCC[C@@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000776594063 647076885 /nfs/dbraw/zinc/07/68/85/647076885.db2.gz SMCRHYDWQMCGOV-HUUCEWRRSA-N 1 2 294.351 2.129 20 5 CEBDLO CCC[C@@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000776594063 647076888 /nfs/dbraw/zinc/07/68/88/647076888.db2.gz SMCRHYDWQMCGOV-HUUCEWRRSA-N 1 2 294.351 2.129 20 5 CEBDLO Cc1c(C(=O)OCCc2c[nH+]cn2C)cccc1[N+](=O)[O-] ZINC000789777306 648341696 /nfs/dbraw/zinc/34/16/96/648341696.db2.gz SLGCISLKOMSNHY-UHFFFAOYSA-N 1 2 289.291 2.036 20 5 CEBDLO C[C@@H]1C[C@@H](C)[NH+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000793227577 648727072 /nfs/dbraw/zinc/72/70/72/648727072.db2.gz DSKWSOGYIGITFU-RKDXNWHRSA-N 1 2 265.269 2.486 20 5 CEBDLO C[C@@H]([NH2+][C@@H]1CCCN(C)C1=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872040496 649250825 /nfs/dbraw/zinc/25/08/25/649250825.db2.gz LVEKGIFQWNJTGI-MWLCHTKSSA-N 1 2 295.314 2.005 20 5 CEBDLO CC(C)NC(=O)[C@H](C)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872078706 649266039 /nfs/dbraw/zinc/26/60/39/649266039.db2.gz DMFNKZVNLBYQNM-ZJUUUORDSA-N 1 2 297.330 2.298 20 5 CEBDLO Cc1ccc(CN2CCc3[nH+]c[nH]c3C2)cc1[N+](=O)[O-] ZINC000878629036 651145802 /nfs/dbraw/zinc/14/58/02/651145802.db2.gz SQYWCQCMMXHPJR-UHFFFAOYSA-N 1 2 272.308 2.185 20 5 CEBDLO O=C(CCCn1cc[nH+]c1)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC000132504192 652526443 /nfs/dbraw/zinc/52/64/43/652526443.db2.gz JRVKIHJBHWFQHW-UHFFFAOYSA-N 1 2 293.254 2.316 20 5 CEBDLO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)CC[N+](=O)[O-] ZINC001119772524 815158532 /nfs/dbraw/zinc/15/85/32/815158532.db2.gz BGPMCNZAPHHULL-GFCCVEGCSA-N 1 2 272.732 2.236 20 5 CEBDLO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CC[N+](=O)[O-] ZINC001119772524 815158533 /nfs/dbraw/zinc/15/85/33/815158533.db2.gz BGPMCNZAPHHULL-GFCCVEGCSA-N 1 2 272.732 2.236 20 5 CEBDLO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1nncn1C ZINC000037017040 361884562 /nfs/dbraw/zinc/88/45/62/361884562.db2.gz MNAQTYDNRADKAE-QMMMGPOBSA-N 1 2 295.730 2.228 20 5 CEBDLO Cc1nccc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)n1 ZINC000351567282 219128596 /nfs/dbraw/zinc/12/85/96/219128596.db2.gz HPJGYWLWHYFUQL-UHFFFAOYSA-N 1 2 284.319 2.252 20 5 CEBDLO Cc1nccc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)n1 ZINC000351567282 219128598 /nfs/dbraw/zinc/12/85/98/219128598.db2.gz HPJGYWLWHYFUQL-UHFFFAOYSA-N 1 2 284.319 2.252 20 5 CEBDLO CC(C)[N@H+](Cc1ccco1)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602441618 347034576 /nfs/dbraw/zinc/03/45/76/347034576.db2.gz OQOXNRFTGOFSTD-UHFFFAOYSA-N 1 2 278.312 2.332 20 5 CEBDLO CC(C)[N@@H+](Cc1ccco1)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602441618 347034579 /nfs/dbraw/zinc/03/45/79/347034579.db2.gz OQOXNRFTGOFSTD-UHFFFAOYSA-N 1 2 278.312 2.332 20 5 CEBDLO CCOC(=O)[C@H](C)[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000093323319 344219489 /nfs/dbraw/zinc/21/94/89/344219489.db2.gz JSZUTHRLAWKNQD-NSHDSACASA-N 1 2 280.324 2.287 20 5 CEBDLO CCOC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000093323319 344219491 /nfs/dbraw/zinc/21/94/91/344219491.db2.gz JSZUTHRLAWKNQD-NSHDSACASA-N 1 2 280.324 2.287 20 5 CEBDLO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000220532470 344538696 /nfs/dbraw/zinc/53/86/96/344538696.db2.gz CTXAZABAAJPQKX-SECBINFHSA-N 1 2 286.291 2.062 20 5 CEBDLO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000220532470 344538700 /nfs/dbraw/zinc/53/87/00/344538700.db2.gz CTXAZABAAJPQKX-SECBINFHSA-N 1 2 286.291 2.062 20 5 CEBDLO O=[N+]([O-])c1cc(C[NH+]2CC3(C2)CCOCC3)cs1 ZINC000590968941 345207981 /nfs/dbraw/zinc/20/79/81/345207981.db2.gz SJGOPCIYNZWPIL-UHFFFAOYSA-N 1 2 268.338 2.269 20 5 CEBDLO O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2[nH+]ccn2c1 ZINC000057778195 362596632 /nfs/dbraw/zinc/59/66/32/362596632.db2.gz UTHBZWVYIVIZSM-UHFFFAOYSA-N 1 2 282.259 2.495 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCCCC[C@@H]1CO ZINC000594017436 345567705 /nfs/dbraw/zinc/56/77/05/345567705.db2.gz ZYFRWBLYNCJILC-GFCCVEGCSA-N 1 2 280.324 2.037 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCCCC[C@@H]1CO ZINC000594017436 345567708 /nfs/dbraw/zinc/56/77/08/345567708.db2.gz ZYFRWBLYNCJILC-GFCCVEGCSA-N 1 2 280.324 2.037 20 5 CEBDLO CCC[N@H+](CC(=O)N(C)C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595293459 345755908 /nfs/dbraw/zinc/75/59/08/345755908.db2.gz OGYOGLVAYTWGHO-UHFFFAOYSA-N 1 2 297.330 2.034 20 5 CEBDLO CCC[N@@H+](CC(=O)N(C)C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595293459 345755912 /nfs/dbraw/zinc/75/59/12/345755912.db2.gz OGYOGLVAYTWGHO-UHFFFAOYSA-N 1 2 297.330 2.034 20 5 CEBDLO Cc1c[nH]c(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000594936025 345708749 /nfs/dbraw/zinc/70/87/49/345708749.db2.gz SCXDPAXVUCLLBZ-SNVBAGLBSA-N 1 2 260.297 2.477 20 5 CEBDLO Cc1noc(C[N@H+]2CCS[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000595319861 345761428 /nfs/dbraw/zinc/76/14/28/345761428.db2.gz DMFPVPVHFFZHCI-IUCAKERBSA-N 1 2 271.342 2.217 20 5 CEBDLO Cc1noc(C[N@@H+]2CCS[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000595319861 345761432 /nfs/dbraw/zinc/76/14/32/345761432.db2.gz DMFPVPVHFFZHCI-IUCAKERBSA-N 1 2 271.342 2.217 20 5 CEBDLO Cc1cnc(CC[N@@H+](C)Cc2onc(C)c2[N+](=O)[O-])s1 ZINC000595388224 345772424 /nfs/dbraw/zinc/77/24/24/345772424.db2.gz HTGPPYGRVIXEJB-UHFFFAOYSA-N 1 2 296.352 2.331 20 5 CEBDLO Cc1cnc(CC[N@H+](C)Cc2onc(C)c2[N+](=O)[O-])s1 ZINC000595388224 345772429 /nfs/dbraw/zinc/77/24/29/345772429.db2.gz HTGPPYGRVIXEJB-UHFFFAOYSA-N 1 2 296.352 2.331 20 5 CEBDLO CN(Cc1c[nH+]c[nH]1)Cc1ccc([N+](=O)[O-])cc1F ZINC000595596795 345821992 /nfs/dbraw/zinc/82/19/92/345821992.db2.gz NLQCVADAFPOTQB-UHFFFAOYSA-N 1 2 264.260 2.089 20 5 CEBDLO CN(Cc1c[nH]c[nH+]1)Cc1ccc([N+](=O)[O-])cc1F ZINC000595596795 345821994 /nfs/dbraw/zinc/82/19/94/345821994.db2.gz NLQCVADAFPOTQB-UHFFFAOYSA-N 1 2 264.260 2.089 20 5 CEBDLO C[C@@]12COC[C@H]1C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C2 ZINC000595755667 345867603 /nfs/dbraw/zinc/86/76/03/345867603.db2.gz CJYXOVKDJXYVTN-YMTOWFKASA-N 1 2 298.289 2.341 20 5 CEBDLO C[C@@]12COC[C@H]1C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C2 ZINC000595755667 345867606 /nfs/dbraw/zinc/86/76/06/345867606.db2.gz CJYXOVKDJXYVTN-YMTOWFKASA-N 1 2 298.289 2.341 20 5 CEBDLO Cc1cc(N2CC(n3cc[nH+]c3)C2)c([N+](=O)[O-])s1 ZINC000596161096 345956345 /nfs/dbraw/zinc/95/63/45/345956345.db2.gz DEGWCDYHNBYHKS-UHFFFAOYSA-N 1 2 264.310 2.223 20 5 CEBDLO C[C@@H]1C[N@H+](CCNc2ccsc2[N+](=O)[O-])[C@H](C)CO1 ZINC000596428081 346020707 /nfs/dbraw/zinc/02/07/07/346020707.db2.gz GYGVUNMIHXGORC-NXEZZACHSA-N 1 2 285.369 2.177 20 5 CEBDLO C[C@@H]1C[N@@H+](CCNc2ccsc2[N+](=O)[O-])[C@H](C)CO1 ZINC000596428081 346020709 /nfs/dbraw/zinc/02/07/09/346020709.db2.gz GYGVUNMIHXGORC-NXEZZACHSA-N 1 2 285.369 2.177 20 5 CEBDLO C[C@@H]1C[N@H+](CCNc2ccc(F)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000596429469 346021294 /nfs/dbraw/zinc/02/12/94/346021294.db2.gz JLEBFKJTEPYPML-WDEREUQCSA-N 1 2 297.330 2.255 20 5 CEBDLO C[C@@H]1C[N@@H+](CCNc2ccc(F)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000596429469 346021296 /nfs/dbraw/zinc/02/12/96/346021296.db2.gz JLEBFKJTEPYPML-WDEREUQCSA-N 1 2 297.330 2.255 20 5 CEBDLO CN(Cc1[nH+]ccn1C)c1cccc(F)c1[N+](=O)[O-] ZINC000062329026 362716503 /nfs/dbraw/zinc/71/65/03/362716503.db2.gz NPRLQMQKMOTNHJ-UHFFFAOYSA-N 1 2 264.260 2.104 20 5 CEBDLO O=[N+]([O-])c1ccc(-c2ccc(NCCCCO)[nH+]c2)cc1 ZINC000600787953 346690117 /nfs/dbraw/zinc/69/01/17/346690117.db2.gz IIIOJWFCJONRNM-UHFFFAOYSA-N 1 2 287.319 2.263 20 5 CEBDLO C[N@@H+]1CCO[C@H](CSc2ccsc2[N+](=O)[O-])C1 ZINC000601182449 346780014 /nfs/dbraw/zinc/78/00/14/346780014.db2.gz VDDNUVKVESZHSF-QMMMGPOBSA-N 1 2 274.367 2.079 20 5 CEBDLO C[N@H+]1CCO[C@H](CSc2ccsc2[N+](=O)[O-])C1 ZINC000601182449 346780017 /nfs/dbraw/zinc/78/00/17/346780017.db2.gz VDDNUVKVESZHSF-QMMMGPOBSA-N 1 2 274.367 2.079 20 5 CEBDLO Cn1cc(C[N@@H+]2Cc3ccccc3C3(CC3)C2)c([N+](=O)[O-])n1 ZINC000602623255 347108911 /nfs/dbraw/zinc/10/89/11/347108911.db2.gz XKXCHDOWGQOEPI-UHFFFAOYSA-N 1 2 298.346 2.376 20 5 CEBDLO Cn1cc(C[N@H+]2Cc3ccccc3C3(CC3)C2)c([N+](=O)[O-])n1 ZINC000602623255 347108913 /nfs/dbraw/zinc/10/89/13/347108913.db2.gz XKXCHDOWGQOEPI-UHFFFAOYSA-N 1 2 298.346 2.376 20 5 CEBDLO Cc1cn2cc(NC(=O)c3ccc([N+](=O)[O-])n3C)ccc2[nH+]1 ZINC000339276387 215058296 /nfs/dbraw/zinc/05/82/96/215058296.db2.gz VCNZDGUVEVJTEO-UHFFFAOYSA-N 1 2 299.290 2.142 20 5 CEBDLO CCc1noc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000611383361 347771215 /nfs/dbraw/zinc/77/12/15/347771215.db2.gz RWBJDYOOYHAJOD-VIFPVBQESA-N 1 2 276.296 2.391 20 5 CEBDLO COC(=O)[C@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000066832865 362889051 /nfs/dbraw/zinc/88/90/51/362889051.db2.gz HXOPWAXDIGGLTD-JTQLQIEISA-N 1 2 284.337 2.041 20 5 CEBDLO COC(=O)[C@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000066832865 362889054 /nfs/dbraw/zinc/88/90/54/362889054.db2.gz HXOPWAXDIGGLTD-JTQLQIEISA-N 1 2 284.337 2.041 20 5 CEBDLO CCOc1cc(COCc2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000617192935 348646133 /nfs/dbraw/zinc/64/61/33/348646133.db2.gz DSBKMJPNZODNRR-UHFFFAOYSA-N 1 2 277.280 2.433 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1CNc1cc(C)[nH+]cn1 ZINC000110253657 186288408 /nfs/dbraw/zinc/28/84/08/186288408.db2.gz KSZJURALJBWRJX-UHFFFAOYSA-N 1 2 274.280 2.314 20 5 CEBDLO COc1ccc(C[N@@H+]2CCO[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000156156374 188245706 /nfs/dbraw/zinc/24/57/06/188245706.db2.gz YJOFBSVQPPSQIR-WDEREUQCSA-N 1 2 280.324 2.213 20 5 CEBDLO COc1ccc(C[N@H+]2CCO[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000156156374 188245707 /nfs/dbraw/zinc/24/57/07/188245707.db2.gz YJOFBSVQPPSQIR-WDEREUQCSA-N 1 2 280.324 2.213 20 5 CEBDLO CCC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000074343977 363326718 /nfs/dbraw/zinc/32/67/18/363326718.db2.gz HTCDBNSOVMBSPJ-UHFFFAOYSA-N 1 2 297.380 2.133 20 5 CEBDLO CC[C@H]1C(=O)N(CC)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000495260326 291028639 /nfs/dbraw/zinc/02/86/39/291028639.db2.gz QJCRQEMXNUQHOJ-AWEZNQCLSA-N 1 2 291.351 2.038 20 5 CEBDLO CC[C@H]1C(=O)N(CC)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000495260326 291028642 /nfs/dbraw/zinc/02/86/42/291028642.db2.gz QJCRQEMXNUQHOJ-AWEZNQCLSA-N 1 2 291.351 2.038 20 5 CEBDLO CCC[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)C(=O)OCC ZINC000135167567 366403810 /nfs/dbraw/zinc/40/38/10/366403810.db2.gz VMJJDIZTVYNMJW-CQSZACIVSA-N 1 2 294.351 2.459 20 5 CEBDLO CC[C@H]1C[N@H+](CCNc2cccc(C)c2[N+](=O)[O-])CCO1 ZINC000338706197 366481651 /nfs/dbraw/zinc/48/16/51/366481651.db2.gz HRZULYOPIFRKKS-ZDUSSCGKSA-N 1 2 293.367 2.426 20 5 CEBDLO CC[C@H]1C[N@@H+](CCNc2cccc(C)c2[N+](=O)[O-])CCO1 ZINC000338706197 366481657 /nfs/dbraw/zinc/48/16/57/366481657.db2.gz HRZULYOPIFRKKS-ZDUSSCGKSA-N 1 2 293.367 2.426 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000339168072 366686788 /nfs/dbraw/zinc/68/67/88/366686788.db2.gz KCAYCTFSHNGIGY-LSDHHAIUSA-N 1 2 292.335 2.444 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000339168072 366686796 /nfs/dbraw/zinc/68/67/96/366686796.db2.gz KCAYCTFSHNGIGY-LSDHHAIUSA-N 1 2 292.335 2.444 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@]12CCOC2 ZINC000339173585 366690308 /nfs/dbraw/zinc/69/03/08/366690308.db2.gz SKABDRPSQOMOHE-CQSZACIVSA-N 1 2 278.308 2.055 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@]12CCOC2 ZINC000339173585 366690310 /nfs/dbraw/zinc/69/03/10/366690310.db2.gz SKABDRPSQOMOHE-CQSZACIVSA-N 1 2 278.308 2.055 20 5 CEBDLO Cc1nnc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000181830567 189307804 /nfs/dbraw/zinc/30/78/04/189307804.db2.gz PXUFWDLUCANVLE-VIFPVBQESA-N 1 2 276.296 2.445 20 5 CEBDLO CCC[N@H+](CC(=O)NC)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182078425 189313556 /nfs/dbraw/zinc/31/35/56/189313556.db2.gz KZGFTBKMPUUDJI-UHFFFAOYSA-N 1 2 299.758 2.206 20 5 CEBDLO CCC[N@@H+](CC(=O)NC)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182078425 189313557 /nfs/dbraw/zinc/31/35/57/189313557.db2.gz KZGFTBKMPUUDJI-UHFFFAOYSA-N 1 2 299.758 2.206 20 5 CEBDLO CC[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000031807256 361720106 /nfs/dbraw/zinc/72/01/06/361720106.db2.gz LBIBSNSZUILARE-JTQLQIEISA-N 1 2 288.307 2.309 20 5 CEBDLO C[C@@H](Cn1cc[nH+]c1)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000094771819 364293502 /nfs/dbraw/zinc/29/35/02/364293502.db2.gz PQTBMOKJWFVGOO-VIFPVBQESA-N 1 2 286.295 2.168 20 5 CEBDLO Cn1c[nH+]cc1Cc1noc(-c2ccc([N+](=O)[O-])s2)n1 ZINC000357936480 370842605 /nfs/dbraw/zinc/84/26/05/370842605.db2.gz NXUBLDYKDLLDGX-UHFFFAOYSA-N 1 2 291.292 2.031 20 5 CEBDLO Cc1c[nH+]c(CN(C)CCc2cccc([N+](=O)[O-])c2)n1C ZINC000342850475 367570210 /nfs/dbraw/zinc/57/02/10/367570210.db2.gz XRIAZBBVTIAZKA-UHFFFAOYSA-N 1 2 288.351 2.311 20 5 CEBDLO CCC[C@]1(C)C(=O)NCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000187329533 284046978 /nfs/dbraw/zinc/04/69/78/284046978.db2.gz QEDMVXIDWNNIOO-OAHLLOKOSA-N 1 2 291.351 2.085 20 5 CEBDLO CCC[C@]1(C)C(=O)NCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000187329533 284046979 /nfs/dbraw/zinc/04/69/79/284046979.db2.gz QEDMVXIDWNNIOO-OAHLLOKOSA-N 1 2 291.351 2.085 20 5 CEBDLO CC[C@@H](C)[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000347994091 368849907 /nfs/dbraw/zinc/84/99/07/368849907.db2.gz DKNWQXIRMNDDGD-RISCZKNCSA-N 1 2 294.351 2.315 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000330731126 203164657 /nfs/dbraw/zinc/16/46/57/203164657.db2.gz IQOOPKLRSPZYIK-HNNXBMFYSA-N 1 2 294.351 2.460 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@H](C(C)C)C1 ZINC000330731126 203164659 /nfs/dbraw/zinc/16/46/59/203164659.db2.gz IQOOPKLRSPZYIK-HNNXBMFYSA-N 1 2 294.351 2.460 20 5 CEBDLO COC[C@@H]1C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000188338102 369340977 /nfs/dbraw/zinc/34/09/77/369340977.db2.gz XPHVNXGDQUYQDY-OCCSQVGLSA-N 1 2 294.351 2.139 20 5 CEBDLO COC[C@@H]1C[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000188338102 369340983 /nfs/dbraw/zinc/34/09/83/369340983.db2.gz XPHVNXGDQUYQDY-OCCSQVGLSA-N 1 2 294.351 2.139 20 5 CEBDLO CCN1CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1=O ZINC000276241789 193253794 /nfs/dbraw/zinc/25/37/94/193253794.db2.gz OLDSWIDCYABSCS-LBPRGKRZSA-N 1 2 291.351 2.210 20 5 CEBDLO CCN1CCC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1=O ZINC000276241789 193253796 /nfs/dbraw/zinc/25/37/96/193253796.db2.gz OLDSWIDCYABSCS-LBPRGKRZSA-N 1 2 291.351 2.210 20 5 CEBDLO O=[N+]([O-])c1cc2ccccc2nc1NCCCn1cc[nH+]c1 ZINC000352358245 369689048 /nfs/dbraw/zinc/68/90/48/369689048.db2.gz XKNKICZHEPSERO-UHFFFAOYSA-N 1 2 297.318 2.264 20 5 CEBDLO CC(C)OCC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352621249 369810071 /nfs/dbraw/zinc/81/00/71/369810071.db2.gz NXOSZLOABIUCJT-UHFFFAOYSA-N 1 2 280.324 2.214 20 5 CEBDLO CC(C)OCC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352621249 369810075 /nfs/dbraw/zinc/81/00/75/369810075.db2.gz NXOSZLOABIUCJT-UHFFFAOYSA-N 1 2 280.324 2.214 20 5 CEBDLO CCn1cnnc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000219155457 370220622 /nfs/dbraw/zinc/22/06/22/370220622.db2.gz UQFQEILGVARTTL-SNVBAGLBSA-N 1 2 275.312 2.057 20 5 CEBDLO Cc1nc(N[C@H]2CCN(c3cccc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000269880655 372586734 /nfs/dbraw/zinc/58/67/34/372586734.db2.gz RUSPMRATRMQFKJ-LBPRGKRZSA-N 1 2 299.334 2.384 20 5 CEBDLO Cn1ccc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000271058143 373096946 /nfs/dbraw/zinc/09/69/46/373096946.db2.gz DVIUDNDIEPONNF-UHFFFAOYSA-N 1 2 286.335 2.493 20 5 CEBDLO Cn1ccc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000271058143 373096953 /nfs/dbraw/zinc/09/69/53/373096953.db2.gz DVIUDNDIEPONNF-UHFFFAOYSA-N 1 2 286.335 2.493 20 5 CEBDLO O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000371517853 373910392 /nfs/dbraw/zinc/91/03/92/373910392.db2.gz GFLCRONTYVJVAK-SECBINFHSA-N 1 2 292.320 2.357 20 5 CEBDLO CC(C)OC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000372117224 374045866 /nfs/dbraw/zinc/04/58/66/374045866.db2.gz QXJZOYKHJHRUHZ-HNNXBMFYSA-N 1 2 294.351 2.221 20 5 CEBDLO CC(C)OC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000372117224 374045873 /nfs/dbraw/zinc/04/58/73/374045873.db2.gz QXJZOYKHJHRUHZ-HNNXBMFYSA-N 1 2 294.351 2.221 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[S@@](=O)C[C@@H](C)C1 ZINC000277461390 374528531 /nfs/dbraw/zinc/52/85/31/374528531.db2.gz LJFXPTMUUQQJCO-PRWKNARSSA-N 1 2 296.392 2.104 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[S@@](=O)C[C@@H](C)C1 ZINC000277461390 374528536 /nfs/dbraw/zinc/52/85/36/374528536.db2.gz LJFXPTMUUQQJCO-PRWKNARSSA-N 1 2 296.392 2.104 20 5 CEBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000277584821 374571381 /nfs/dbraw/zinc/57/13/81/374571381.db2.gz WEHYQPYNJGRIAI-XAAFQQQXSA-N 1 2 296.392 2.356 20 5 CEBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000277584821 374571388 /nfs/dbraw/zinc/57/13/88/374571388.db2.gz WEHYQPYNJGRIAI-XAAFQQQXSA-N 1 2 296.392 2.356 20 5 CEBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000274421015 296240500 /nfs/dbraw/zinc/24/05/00/296240500.db2.gz OETQTRJQNRXPOP-SWLSCSKDSA-N 1 2 292.335 2.147 20 5 CEBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000274421015 296240504 /nfs/dbraw/zinc/24/05/04/296240504.db2.gz OETQTRJQNRXPOP-SWLSCSKDSA-N 1 2 292.335 2.147 20 5 CEBDLO C[C@@H](Cn1cc[nH+]c1)Nc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000290457131 376787650 /nfs/dbraw/zinc/78/76/50/376787650.db2.gz DYFFFPSRPFMZFT-JTQLQIEISA-N 1 2 287.323 2.260 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@]3(CCSC3)C2)cc1 ZINC000566176416 377743012 /nfs/dbraw/zinc/74/30/12/377743012.db2.gz IRHPNMWVQJMRHL-CQSZACIVSA-N 1 2 294.376 2.303 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@]3(CCSC3)C2)cc1 ZINC000566176416 377743017 /nfs/dbraw/zinc/74/30/17/377743017.db2.gz IRHPNMWVQJMRHL-CQSZACIVSA-N 1 2 294.376 2.303 20 5 CEBDLO CCn1cc[nH+]c1[C@@H](C)Nc1ncc([N+](=O)[O-])s1 ZINC000450827456 378597070 /nfs/dbraw/zinc/59/70/70/378597070.db2.gz HVBILUHQTSWLHH-SSDOTTSWSA-N 1 2 267.314 2.441 20 5 CEBDLO C[N@@H+]1CCO[C@@H](CSc2ccccc2[N+](=O)[O-])C1 ZINC000519597760 379443657 /nfs/dbraw/zinc/44/36/57/379443657.db2.gz MYWSWHQSDKDYIL-SNVBAGLBSA-N 1 2 268.338 2.018 20 5 CEBDLO C[N@H+]1CCO[C@@H](CSc2ccccc2[N+](=O)[O-])C1 ZINC000519597760 379443666 /nfs/dbraw/zinc/44/36/66/379443666.db2.gz MYWSWHQSDKDYIL-SNVBAGLBSA-N 1 2 268.338 2.018 20 5 CEBDLO CCC[N@H+](CC(=O)N(C)C)Cc1ccc([N+](=O)[O-])cc1F ZINC000267084239 190302100 /nfs/dbraw/zinc/30/21/00/190302100.db2.gz YTJRKQHQVGSAIK-UHFFFAOYSA-N 1 2 297.330 2.034 20 5 CEBDLO CCC[N@@H+](CC(=O)N(C)C)Cc1ccc([N+](=O)[O-])cc1F ZINC000267084239 190302101 /nfs/dbraw/zinc/30/21/01/190302101.db2.gz YTJRKQHQVGSAIK-UHFFFAOYSA-N 1 2 297.330 2.034 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1[C@@H](C)C[C@@H]1C ZINC000547769617 380469056 /nfs/dbraw/zinc/46/90/56/380469056.db2.gz FBFIPWBNXWCTRY-QWRGUYRKSA-N 1 2 277.324 2.324 20 5 CEBDLO COC[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C(C)C ZINC000549932902 380614981 /nfs/dbraw/zinc/61/49/81/380614981.db2.gz XQNFUMLRDSKKKG-LBPRGKRZSA-N 1 2 268.313 2.061 20 5 CEBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCO[C@@H](CF)C1 ZINC000414466348 394743598 /nfs/dbraw/zinc/74/35/98/394743598.db2.gz BHRRPJPJGXPENI-LQPUYASZSA-N 1 2 280.299 2.278 20 5 CEBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCO[C@@H](CF)C1 ZINC000414466348 394743601 /nfs/dbraw/zinc/74/36/01/394743601.db2.gz BHRRPJPJGXPENI-LQPUYASZSA-N 1 2 280.299 2.278 20 5 CEBDLO CN(CCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1F ZINC000268980777 394705681 /nfs/dbraw/zinc/70/56/81/394705681.db2.gz RCWPONQYFAASHI-UHFFFAOYSA-N 1 2 278.287 2.457 20 5 CEBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000364399677 394897387 /nfs/dbraw/zinc/89/73/87/394897387.db2.gz KOJRBPQDJANFGQ-CQSZACIVSA-N 1 2 262.309 2.206 20 5 CEBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000364399677 394897389 /nfs/dbraw/zinc/89/73/89/394897389.db2.gz KOJRBPQDJANFGQ-CQSZACIVSA-N 1 2 262.309 2.206 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC=C(C)C1 ZINC000436261518 395102391 /nfs/dbraw/zinc/10/23/91/395102391.db2.gz PAEMVLWLBYHDCE-UHFFFAOYSA-N 1 2 289.335 2.494 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC=C(C)C1 ZINC000436261518 395102395 /nfs/dbraw/zinc/10/23/95/395102395.db2.gz PAEMVLWLBYHDCE-UHFFFAOYSA-N 1 2 289.335 2.494 20 5 CEBDLO C[C@H]1CC[C@@H]([N@H+](CCO)Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000330449559 300039086 /nfs/dbraw/zinc/03/90/86/300039086.db2.gz JDVOBLDYRHYAFV-WCQYABFASA-N 1 2 294.351 2.283 20 5 CEBDLO C[C@H]1CC[C@@H]([N@@H+](CCO)Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000330449559 300039089 /nfs/dbraw/zinc/03/90/89/300039089.db2.gz JDVOBLDYRHYAFV-WCQYABFASA-N 1 2 294.351 2.283 20 5 CEBDLO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@H]2COC[C@H]21 ZINC000367081069 156128922 /nfs/dbraw/zinc/12/89/22/156128922.db2.gz QOQJCTIKUOICRV-IINYFYTJSA-N 1 2 280.299 2.345 20 5 CEBDLO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@H]2COC[C@H]21 ZINC000367081069 156128926 /nfs/dbraw/zinc/12/89/26/156128926.db2.gz QOQJCTIKUOICRV-IINYFYTJSA-N 1 2 280.299 2.345 20 5 CEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC=C(c2cccnc2)CC1 ZINC000374882052 157023654 /nfs/dbraw/zinc/02/36/54/157023654.db2.gz PDUFEFQIWMZWMF-UHFFFAOYSA-N 1 2 299.334 2.013 20 5 CEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC=C(c2cccnc2)CC1 ZINC000374882052 157023659 /nfs/dbraw/zinc/02/36/59/157023659.db2.gz PDUFEFQIWMZWMF-UHFFFAOYSA-N 1 2 299.334 2.013 20 5 CEBDLO Cc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)no1 ZINC000542699532 298298414 /nfs/dbraw/zinc/29/84/14/298298414.db2.gz KGESQLBULWDHOA-UHFFFAOYSA-N 1 2 261.281 2.489 20 5 CEBDLO Cc1noc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000038034323 174032975 /nfs/dbraw/zinc/03/29/75/174032975.db2.gz MQMUCAPHAJUHQO-SECBINFHSA-N 1 2 276.296 2.445 20 5 CEBDLO CN(C)c1[nH+]cccc1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000044519388 175191375 /nfs/dbraw/zinc/19/13/75/175191375.db2.gz LPEDOZOEVQDMCP-UHFFFAOYSA-N 1 2 292.320 2.370 20 5 CEBDLO Cc1sc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000566625606 299010237 /nfs/dbraw/zinc/01/02/37/299010237.db2.gz WCZGQXUGRPMGDU-UHFFFAOYSA-N 1 2 294.336 2.353 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1CNc1cccc(CO)[nH+]1 ZINC000432751804 271506559 /nfs/dbraw/zinc/50/65/59/271506559.db2.gz DXLJWOYEUDMIRK-UHFFFAOYSA-N 1 2 273.292 2.403 20 5 CEBDLO C[C@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@@H]1O ZINC000413227840 278371042 /nfs/dbraw/zinc/37/10/42/278371042.db2.gz PQQNBYJVARWCBL-HZMBPMFUSA-N 1 2 287.319 2.350 20 5 CEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC(O)CC3)c2c1 ZINC000413025833 280371367 /nfs/dbraw/zinc/37/13/67/280371367.db2.gz HWELHYBIABLCHA-UHFFFAOYSA-N 1 2 273.292 2.104 20 5 CEBDLO C[C@@]1([NH3+])CCCC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000423717676 281081729 /nfs/dbraw/zinc/08/17/29/281081729.db2.gz ANTPBZFQGQJDMJ-IINYFYTJSA-N 1 2 293.323 2.147 20 5 CEBDLO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)c2[nH+]ccn21 ZINC000456356110 289595952 /nfs/dbraw/zinc/59/59/52/289595952.db2.gz RZUWCKVMOYRMSS-CABZTGNLSA-N 1 2 286.291 2.227 20 5 CEBDLO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1nccc(N)n1 ZINC000565158491 313799835 /nfs/dbraw/zinc/79/98/35/313799835.db2.gz SIJLBXULXUFQAD-VHSXEESVSA-N 1 2 287.323 2.209 20 5 CEBDLO O=C(Nc1cccc2[nH+]ccn21)c1cccc([N+](=O)[O-])c1 ZINC000357458618 534377707 /nfs/dbraw/zinc/37/77/07/534377707.db2.gz XWMWESWEVQJXLP-UHFFFAOYSA-N 1 2 282.259 2.495 20 5 CEBDLO O=[N+]([O-])c1ccc(-c2csc([C@@H]3COCC[NH2+]3)n2)cc1 ZINC000226469127 527343397 /nfs/dbraw/zinc/34/33/97/527343397.db2.gz CPPMJZJKXXMPHN-NSHDSACASA-N 1 2 291.332 2.379 20 5 CEBDLO CCC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(=O)OC ZINC000178870496 527869529 /nfs/dbraw/zinc/86/95/29/527869529.db2.gz SJOUFLILHVDJQR-SOFGYWHQSA-N 1 2 292.335 2.493 20 5 CEBDLO CCC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(=O)OC ZINC000178870496 527869537 /nfs/dbraw/zinc/86/95/37/527869537.db2.gz SJOUFLILHVDJQR-SOFGYWHQSA-N 1 2 292.335 2.493 20 5 CEBDLO CC(=CC(=O)NCc1c[nH+]c[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000752422640 575309858 /nfs/dbraw/zinc/30/98/58/575309858.db2.gz BYVUJHGOKLNEKJ-POHAHGRESA-N 1 2 286.291 2.038 20 5 CEBDLO CC(=CC(=O)NCc1c[nH]c[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC000752422640 575309859 /nfs/dbraw/zinc/30/98/59/575309859.db2.gz BYVUJHGOKLNEKJ-POHAHGRESA-N 1 2 286.291 2.038 20 5 CEBDLO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CN1CCOC1=O ZINC000902067731 634462260 /nfs/dbraw/zinc/46/22/60/634462260.db2.gz LQJHROFYHPFZCU-UHFFFAOYSA-N 1 2 293.323 2.215 20 5 CEBDLO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)CN1CCOC1=O ZINC000902067731 634462263 /nfs/dbraw/zinc/46/22/63/634462263.db2.gz LQJHROFYHPFZCU-UHFFFAOYSA-N 1 2 293.323 2.215 20 5 CEBDLO O=[N+]([O-])c1ccc(CC[N@@H+]2CCO[C@@H](C(F)F)C2)cc1 ZINC000801561100 631288686 /nfs/dbraw/zinc/28/86/86/631288686.db2.gz OTHHYWRSXISZNP-GFCCVEGCSA-N 1 2 286.278 2.103 20 5 CEBDLO O=[N+]([O-])c1ccc(CC[N@H+]2CCO[C@@H](C(F)F)C2)cc1 ZINC000801561100 631288689 /nfs/dbraw/zinc/28/86/89/631288689.db2.gz OTHHYWRSXISZNP-GFCCVEGCSA-N 1 2 286.278 2.103 20 5 CEBDLO CC(=O)c1cc([N+](=O)[O-])ccc1NCc1c[nH+]cn1C ZINC000811846358 632455596 /nfs/dbraw/zinc/45/55/96/632455596.db2.gz RXFAJODERFUQPC-UHFFFAOYSA-N 1 2 274.280 2.143 20 5 CEBDLO Cc1cc(C)c(CNC(=O)CCC(C)(C)[N+](=O)[O-])c[nH+]1 ZINC000837106212 639055236 /nfs/dbraw/zinc/05/52/36/639055236.db2.gz XOAPJQDCAVHLSW-UHFFFAOYSA-N 1 2 279.340 2.150 20 5 CEBDLO Cc1nn(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC000844751890 640826879 /nfs/dbraw/zinc/82/68/79/640826879.db2.gz WRNCMFJKBSJJLW-LLVKDONJSA-N 1 2 286.282 2.178 20 5 CEBDLO Cc1nn(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC000844751890 640826882 /nfs/dbraw/zinc/82/68/82/640826882.db2.gz WRNCMFJKBSJJLW-LLVKDONJSA-N 1 2 286.282 2.178 20 5 CEBDLO Cc1cccc(C[N@H+](C)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000917487195 640889742 /nfs/dbraw/zinc/88/97/42/640889742.db2.gz VEICGBDRBFSJID-UHFFFAOYSA-N 1 2 260.297 2.189 20 5 CEBDLO Cc1cccc(C[N@@H+](C)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000917487195 640889745 /nfs/dbraw/zinc/88/97/45/640889745.db2.gz VEICGBDRBFSJID-UHFFFAOYSA-N 1 2 260.297 2.189 20 5 CEBDLO O=[N+]([O-])c1cccc2c1CC[N@H+](CCOC(F)F)C2 ZINC000851869333 643200773 /nfs/dbraw/zinc/20/07/73/643200773.db2.gz DHEOVFKJFBMWFG-UHFFFAOYSA-N 1 2 272.251 2.192 20 5 CEBDLO O=[N+]([O-])c1cccc2c1CC[N@@H+](CCOC(F)F)C2 ZINC000851869333 643200781 /nfs/dbraw/zinc/20/07/81/643200781.db2.gz DHEOVFKJFBMWFG-UHFFFAOYSA-N 1 2 272.251 2.192 20 5 CEBDLO CC1(C)C[C@@H](O)C[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000877753039 650896581 /nfs/dbraw/zinc/89/65/81/650896581.db2.gz LPSGBHAWWYGSMK-SNVBAGLBSA-N 1 2 270.354 2.249 20 5 CEBDLO CC1(C)C[C@@H](O)C[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000877753039 650896590 /nfs/dbraw/zinc/89/65/90/650896590.db2.gz LPSGBHAWWYGSMK-SNVBAGLBSA-N 1 2 270.354 2.249 20 5 CEBDLO Cc1nonc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000871938555 649220881 /nfs/dbraw/zinc/22/08/81/649220881.db2.gz VZGBCAROYZUBDY-MRVPVSSYSA-N 1 2 262.269 2.137 20 5 CEBDLO CC(C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872078704 649266084 /nfs/dbraw/zinc/26/60/84/649266084.db2.gz DMFNKZVNLBYQNM-UWVGGRQHSA-N 1 2 297.330 2.298 20 5 CEBDLO CC(=O)c1c(NCCc2cn(C)c[nH+]2)cccc1[N+](=O)[O-] ZINC000882440014 652071416 /nfs/dbraw/zinc/07/14/16/652071416.db2.gz VHKHTAZRAYLWJU-UHFFFAOYSA-N 1 2 288.307 2.186 20 5 CEBDLO CC(C)[C@@H](O)CC[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001119306147 815087246 /nfs/dbraw/zinc/08/72/46/815087246.db2.gz MZFKDUPAKQNZKE-AWEZNQCLSA-N 1 2 264.325 2.317 20 5 CEBDLO CC(C)[C@@H](O)CC[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001119306147 815087252 /nfs/dbraw/zinc/08/72/52/815087252.db2.gz MZFKDUPAKQNZKE-AWEZNQCLSA-N 1 2 264.325 2.317 20 5 CEBDLO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](CF)C(F)(F)C2)C1 ZINC001169010961 811334022 /nfs/dbraw/zinc/33/40/22/811334022.db2.gz GRCIHNUUNVHWQO-OUAUKWLOSA-N 1 2 280.290 2.359 20 5 CEBDLO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H](CF)C(F)(F)C2)C1 ZINC001169010961 811334030 /nfs/dbraw/zinc/33/40/30/811334030.db2.gz GRCIHNUUNVHWQO-OUAUKWLOSA-N 1 2 280.290 2.359 20 5 CEBDLO CCOC(=O)[C@@H](CC)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173218752 815625008 /nfs/dbraw/zinc/62/50/08/815625008.db2.gz LNHKBRMUPPGKNR-SMDDNHRTSA-N 1 2 294.351 2.457 20 5 CEBDLO COC[C@@]1(C)CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000449389462 282213247 /nfs/dbraw/zinc/21/32/47/282213247.db2.gz DBEPKQSIVGKRLN-AWEZNQCLSA-N 1 2 280.324 2.159 20 5 CEBDLO COC[C@@]1(C)CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000449389462 282213249 /nfs/dbraw/zinc/21/32/49/282213249.db2.gz DBEPKQSIVGKRLN-AWEZNQCLSA-N 1 2 280.324 2.159 20 5 CEBDLO CC(C)C[N@H+](CC(N)=O)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000042691153 362109876 /nfs/dbraw/zinc/10/98/76/362109876.db2.gz BTHWMPSSIGZUBO-UHFFFAOYSA-N 1 2 299.758 2.192 20 5 CEBDLO CC(C)C[N@@H+](CC(N)=O)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000042691153 362109881 /nfs/dbraw/zinc/10/98/81/362109881.db2.gz BTHWMPSSIGZUBO-UHFFFAOYSA-N 1 2 299.758 2.192 20 5 CEBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H](C)CO1 ZINC000045784219 343488303 /nfs/dbraw/zinc/48/83/03/343488303.db2.gz FWEFSZRNSQVMRV-GHMZBOCLSA-N 1 2 250.298 2.204 20 5 CEBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H](C)CO1 ZINC000045784219 343488304 /nfs/dbraw/zinc/48/83/04/343488304.db2.gz FWEFSZRNSQVMRV-GHMZBOCLSA-N 1 2 250.298 2.204 20 5 CEBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000045784945 343488355 /nfs/dbraw/zinc/48/83/55/343488355.db2.gz BOXVQDURJVUROZ-MNOVXSKESA-N 1 2 250.298 2.204 20 5 CEBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000045784945 343488356 /nfs/dbraw/zinc/48/83/56/343488356.db2.gz BOXVQDURJVUROZ-MNOVXSKESA-N 1 2 250.298 2.204 20 5 CEBDLO C[N@H+](Cc1nnc2ccccn21)Cc1ccc([N+](=O)[O-])cc1 ZINC000081007956 344033743 /nfs/dbraw/zinc/03/37/43/344033743.db2.gz VFBRNMCDEUTSCA-UHFFFAOYSA-N 1 2 297.318 2.270 20 5 CEBDLO C[N@@H+](Cc1nnc2ccccn21)Cc1ccc([N+](=O)[O-])cc1 ZINC000081007956 344033745 /nfs/dbraw/zinc/03/37/45/344033745.db2.gz VFBRNMCDEUTSCA-UHFFFAOYSA-N 1 2 297.318 2.270 20 5 CEBDLO Cn1cc[nH+]c1CSc1ncccc1[N+](=O)[O-] ZINC000049418455 362360414 /nfs/dbraw/zinc/36/04/14/362360414.db2.gz NCDDJWANKZCIQJ-UHFFFAOYSA-N 1 2 250.283 2.016 20 5 CEBDLO Cn1cc(C[N@@H+]2CC[C@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC000602430670 347030708 /nfs/dbraw/zinc/03/07/08/347030708.db2.gz LVYLZGKNVAIBHL-ZDUSSCGKSA-N 1 2 272.308 2.275 20 5 CEBDLO Cn1cc(C[N@H+]2CC[C@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC000602430670 347030713 /nfs/dbraw/zinc/03/07/13/347030713.db2.gz LVYLZGKNVAIBHL-ZDUSSCGKSA-N 1 2 272.308 2.275 20 5 CEBDLO CC1(C)[C@@H]2C[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000093660974 344227748 /nfs/dbraw/zinc/22/77/48/344227748.db2.gz LXXSBAVEIGNCBR-TXEJJXNPSA-N 1 2 262.309 2.388 20 5 CEBDLO CC1(C)[C@@H]2C[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000093660974 344227752 /nfs/dbraw/zinc/22/77/52/344227752.db2.gz LXXSBAVEIGNCBR-TXEJJXNPSA-N 1 2 262.309 2.388 20 5 CEBDLO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1cccnc1 ZINC000356101862 530023210 /nfs/dbraw/zinc/02/32/10/530023210.db2.gz WESGTHHEQOKGLF-UHFFFAOYSA-N 1 2 297.318 2.498 20 5 CEBDLO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1cccnc1 ZINC000356101862 530023211 /nfs/dbraw/zinc/02/32/11/530023211.db2.gz WESGTHHEQOKGLF-UHFFFAOYSA-N 1 2 297.318 2.498 20 5 CEBDLO C[C@H](c1ccccc1[N+](=O)[O-])N1CCc2[nH+]c[nH]c2C1 ZINC000590598918 345150409 /nfs/dbraw/zinc/15/04/09/345150409.db2.gz DSCNFUKBMVOONA-SNVBAGLBSA-N 1 2 272.308 2.437 20 5 CEBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3C[C@@H]4C[C@H]3CS4)nc2c1 ZINC000590972640 345208827 /nfs/dbraw/zinc/20/88/27/345208827.db2.gz KJEGOEXYCTTWHW-UWVGGRQHSA-N 1 2 290.348 2.161 20 5 CEBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3C[C@@H]4C[C@H]3CS4)nc2c1 ZINC000590972640 345208830 /nfs/dbraw/zinc/20/88/30/345208830.db2.gz KJEGOEXYCTTWHW-UWVGGRQHSA-N 1 2 290.348 2.161 20 5 CEBDLO Cc1ncc([N+](=O)[O-])n1Cc1cc(OC(C)C)cc[nH+]1 ZINC000593423837 345483149 /nfs/dbraw/zinc/48/31/49/345483149.db2.gz LMMJWWWJKBKAGV-UHFFFAOYSA-N 1 2 276.296 2.330 20 5 CEBDLO Cc1c[nH]c(C(C)(C)NC(=O)c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000593734235 345529322 /nfs/dbraw/zinc/52/93/22/345529322.db2.gz ZANPPOLTWLNWOU-UHFFFAOYSA-N 1 2 288.307 2.291 20 5 CEBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2cc3n(n2)CCCC3)cc1 ZINC000594495103 345638190 /nfs/dbraw/zinc/63/81/90/345638190.db2.gz MAEHGBMYVHIPEH-UHFFFAOYSA-N 1 2 286.335 2.417 20 5 CEBDLO Cc1ccc(C[NH2+][C@H]2C[C@@H](C)n3ncnc32)cc1[N+](=O)[O-] ZINC000594957426 345716732 /nfs/dbraw/zinc/71/67/32/345716732.db2.gz OQBGRVIZFNJDJV-PWSUYJOCSA-N 1 2 287.323 2.290 20 5 CEBDLO Cc1ccsc1[C@H](CO)[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000595445929 345784734 /nfs/dbraw/zinc/78/47/34/345784734.db2.gz IXUGJURGQDLFLS-VIFPVBQESA-N 1 2 297.336 2.084 20 5 CEBDLO Cc1noc(C[N@@H+]2CCSC[C@@H]2C2CC2)c1[N+](=O)[O-] ZINC000595515882 345802109 /nfs/dbraw/zinc/80/21/09/345802109.db2.gz DABWVFVGTFKCAC-SNVBAGLBSA-N 1 2 283.353 2.219 20 5 CEBDLO Cc1noc(C[N@H+]2CCSC[C@@H]2C2CC2)c1[N+](=O)[O-] ZINC000595515882 345802111 /nfs/dbraw/zinc/80/21/11/345802111.db2.gz DABWVFVGTFKCAC-SNVBAGLBSA-N 1 2 283.353 2.219 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000595807860 345880387 /nfs/dbraw/zinc/88/03/87/345880387.db2.gz BGCMSDQNJCJCBU-VXGBXAGGSA-N 1 2 289.335 2.184 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000595807860 345880390 /nfs/dbraw/zinc/88/03/90/345880390.db2.gz BGCMSDQNJCJCBU-VXGBXAGGSA-N 1 2 289.335 2.184 20 5 CEBDLO C[C@@H]1C[C@@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])c2[nH+]ccn21 ZINC000596257863 345982836 /nfs/dbraw/zinc/98/28/36/345982836.db2.gz RZUICHLWOXJKHX-VXNVDRBHSA-N 1 2 275.268 2.010 20 5 CEBDLO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)c1[nH+]ccn1C ZINC000596544110 346050896 /nfs/dbraw/zinc/05/08/96/346050896.db2.gz YLTFGVFRDARNAS-QMMMGPOBSA-N 1 2 278.316 2.026 20 5 CEBDLO Cc1cnc(N[C@@H](C)c2[nH+]ccn2C)c([N+](=O)[O-])c1 ZINC000596545317 346051711 /nfs/dbraw/zinc/05/17/11/346051711.db2.gz XLCJNKANYVZRTF-VIFPVBQESA-N 1 2 261.285 2.205 20 5 CEBDLO C[C@@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCO1 ZINC000599024001 346448166 /nfs/dbraw/zinc/44/81/66/346448166.db2.gz XFKMGNAMXMYXPS-SNVBAGLBSA-N 1 2 273.292 2.368 20 5 CEBDLO O=[N+]([O-])c1c(NCC2(CO)CC2)ccc2c[nH+]ccc21 ZINC000599055374 346453807 /nfs/dbraw/zinc/45/38/07/346453807.db2.gz PJFGVXDMUPLHGT-UHFFFAOYSA-N 1 2 273.292 2.327 20 5 CEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N[C@H]3C[C@@H](CO)C3)c2c1 ZINC000601211682 346789871 /nfs/dbraw/zinc/78/98/71/346789871.db2.gz JDJDCYVHYQYZHM-JGZJWPJOSA-N 1 2 273.292 2.326 20 5 CEBDLO CC1(C)CO[C@H](C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)C1 ZINC000602802683 347206013 /nfs/dbraw/zinc/20/60/13/347206013.db2.gz SEMUJGFLDXWPIN-ZDUSSCGKSA-N 1 2 291.351 2.163 20 5 CEBDLO CC1(C)CO[C@H](C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)C1 ZINC000602802683 347206014 /nfs/dbraw/zinc/20/60/14/347206014.db2.gz SEMUJGFLDXWPIN-ZDUSSCGKSA-N 1 2 291.351 2.163 20 5 CEBDLO Cc1cn2c([nH+]1)CN(c1ccc([N+](=O)[O-])s1)CC2 ZINC000611764338 347815484 /nfs/dbraw/zinc/81/54/84/347815484.db2.gz XNTXPUAWCSUTPR-UHFFFAOYSA-N 1 2 264.310 2.181 20 5 CEBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC=CCC2)cccc1[N+](=O)[O-] ZINC000611517340 347789503 /nfs/dbraw/zinc/78/95/03/347789503.db2.gz RKHZUFGQJWCNAZ-GFCCVEGCSA-N 1 2 289.335 2.492 20 5 CEBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC=CCC2)cccc1[N+](=O)[O-] ZINC000611517340 347789506 /nfs/dbraw/zinc/78/95/06/347789506.db2.gz RKHZUFGQJWCNAZ-GFCCVEGCSA-N 1 2 289.335 2.492 20 5 CEBDLO C[C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1F ZINC000611521515 347790959 /nfs/dbraw/zinc/79/09/59/347790959.db2.gz NZPQLTHCMAIRNA-BXKDBHETSA-N 1 2 268.288 2.480 20 5 CEBDLO C[C@@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1F ZINC000611521515 347790961 /nfs/dbraw/zinc/79/09/61/347790961.db2.gz NZPQLTHCMAIRNA-BXKDBHETSA-N 1 2 268.288 2.480 20 5 CEBDLO CCC(=O)N[C@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000130422184 365954429 /nfs/dbraw/zinc/95/44/29/365954429.db2.gz KZSMWQDOQOGLIA-NSHDSACASA-N 1 2 297.380 2.147 20 5 CEBDLO CCC(=O)N[C@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000130422184 365954440 /nfs/dbraw/zinc/95/44/40/365954440.db2.gz KZSMWQDOQOGLIA-NSHDSACASA-N 1 2 297.380 2.147 20 5 CEBDLO Cn1cc[nH+]c1[C@H]1N(c2ncc([N+](=O)[O-])s2)CC1(C)C ZINC000450647293 282703557 /nfs/dbraw/zinc/70/35/57/282703557.db2.gz NSFVMQAYVLLJJB-SECBINFHSA-N 1 2 293.352 2.372 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2cc[nH]n2)C2CC2)cc1 ZINC000154273344 188132760 /nfs/dbraw/zinc/13/27/60/188132760.db2.gz PCIJZQXYDJWRMC-UHFFFAOYSA-N 1 2 272.308 2.483 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2cc[nH]n2)C2CC2)cc1 ZINC000154273344 188132761 /nfs/dbraw/zinc/13/27/61/188132761.db2.gz PCIJZQXYDJWRMC-UHFFFAOYSA-N 1 2 272.308 2.483 20 5 CEBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCCC[C@@H]1O ZINC000339100010 366654274 /nfs/dbraw/zinc/65/42/74/366654274.db2.gz SZDKDROVSDYLPU-KBPBESRZSA-N 1 2 280.324 2.036 20 5 CEBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCCC[C@@H]1O ZINC000339100010 366654280 /nfs/dbraw/zinc/65/42/80/366654280.db2.gz SZDKDROVSDYLPU-KBPBESRZSA-N 1 2 280.324 2.036 20 5 CEBDLO C[C@@H]1CCC[C@H](CO)[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339040357 366627920 /nfs/dbraw/zinc/62/79/20/366627920.db2.gz BBJUCOVJXZAXSE-ZYHUDNBSSA-N 1 2 280.324 2.036 20 5 CEBDLO C[C@@H]1CCC[C@H](CO)[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339040357 366627924 /nfs/dbraw/zinc/62/79/24/366627924.db2.gz BBJUCOVJXZAXSE-ZYHUDNBSSA-N 1 2 280.324 2.036 20 5 CEBDLO C[C@H](CNc1sccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000302030076 201309482 /nfs/dbraw/zinc/30/94/82/201309482.db2.gz RRQIUUXMQCFUHB-SNVBAGLBSA-N 1 2 285.369 2.037 20 5 CEBDLO O=[N+]([O-])c1ccc(N2CC[NH+](C/C=C/Cl)CC2)cc1 ZINC000096999283 364426792 /nfs/dbraw/zinc/42/67/92/364426792.db2.gz WXHOLLRHXHHORM-LZCJLJQNSA-N 1 2 281.743 2.469 20 5 CEBDLO Cn1cc[nH+]c1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000103921566 364671005 /nfs/dbraw/zinc/67/10/05/364671005.db2.gz IBPWSWBGKVYTKC-UHFFFAOYSA-N 1 2 283.291 2.240 20 5 CEBDLO C[C@@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)CCCO1 ZINC000170765911 367410455 /nfs/dbraw/zinc/41/04/55/367410455.db2.gz NGGCOGNHFWSDLS-SECBINFHSA-N 1 2 256.327 2.267 20 5 CEBDLO C[C@@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)CCCO1 ZINC000170765911 367410461 /nfs/dbraw/zinc/41/04/61/367410461.db2.gz NGGCOGNHFWSDLS-SECBINFHSA-N 1 2 256.327 2.267 20 5 CEBDLO C[C@]1(F)CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000295434416 291398606 /nfs/dbraw/zinc/39/86/06/291398606.db2.gz OGFODDVOJXNBLA-AWEZNQCLSA-N 1 2 295.314 2.018 20 5 CEBDLO C[C@]1(F)CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000295434416 291398608 /nfs/dbraw/zinc/39/86/08/291398608.db2.gz OGFODDVOJXNBLA-AWEZNQCLSA-N 1 2 295.314 2.018 20 5 CEBDLO C[C@@H]1CCN(c2ccc([N+](=O)[O-])nc2)C[C@H]1n1cc[nH+]c1 ZINC000345312957 368231826 /nfs/dbraw/zinc/23/18/26/368231826.db2.gz STCNULHYXWGTRZ-DGCLKSJQSA-N 1 2 287.323 2.274 20 5 CEBDLO CC(=O)N(C)C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000330431697 202814743 /nfs/dbraw/zinc/81/47/43/202814743.db2.gz MEMPYQVFWFQDPP-UHFFFAOYSA-N 1 2 297.380 2.099 20 5 CEBDLO COc1cc[nH+]cc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000346707866 368781759 /nfs/dbraw/zinc/78/17/59/368781759.db2.gz RVQOLQWGRHDEPS-UHFFFAOYSA-N 1 2 273.248 2.251 20 5 CEBDLO C[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1cn[nH]c1 ZINC000358808480 371230886 /nfs/dbraw/zinc/23/08/86/371230886.db2.gz LNQMAMDSJWVJLS-MRVPVSSYSA-N 1 2 264.260 2.308 20 5 CEBDLO Cc1[nH]c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2[nH+]1 ZINC000358856427 371247860 /nfs/dbraw/zinc/24/78/60/371247860.db2.gz VXNXGLUPMNRXEC-UHFFFAOYSA-N 1 2 257.253 2.024 20 5 CEBDLO Cc1[nH]c2cc(Cn3cc([N+](=O)[O-])cn3)ccc2[nH+]1 ZINC000358856427 371247865 /nfs/dbraw/zinc/24/78/65/371247865.db2.gz VXNXGLUPMNRXEC-UHFFFAOYSA-N 1 2 257.253 2.024 20 5 CEBDLO COC[C@H]1C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000249248740 371307601 /nfs/dbraw/zinc/30/76/01/371307601.db2.gz XPHVNXGDQUYQDY-TZMCWYRMSA-N 1 2 294.351 2.139 20 5 CEBDLO COC[C@H]1C[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000249248740 371307606 /nfs/dbraw/zinc/30/76/06/371307606.db2.gz XPHVNXGDQUYQDY-TZMCWYRMSA-N 1 2 294.351 2.139 20 5 CEBDLO COc1cc(C[N@@H+]2CCOCC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000373326713 374328339 /nfs/dbraw/zinc/32/83/39/374328339.db2.gz VAZQPDNRVBNFCO-JTQLQIEISA-N 1 2 298.314 2.353 20 5 CEBDLO COc1cc(C[N@H+]2CCOCC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000373326713 374328347 /nfs/dbraw/zinc/32/83/47/374328347.db2.gz VAZQPDNRVBNFCO-JTQLQIEISA-N 1 2 298.314 2.353 20 5 CEBDLO Cc1c(C[N@@H+]2CC[S@](=O)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000277534596 374557285 /nfs/dbraw/zinc/55/72/85/374557285.db2.gz RRHCDRKHJPRLJS-GIPWTMENSA-N 1 2 296.392 2.104 20 5 CEBDLO Cc1c(C[N@H+]2CC[S@](=O)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000277534596 374557290 /nfs/dbraw/zinc/55/72/90/374557290.db2.gz RRHCDRKHJPRLJS-GIPWTMENSA-N 1 2 296.392 2.104 20 5 CEBDLO Cc1cn2c([nH+]1)CN(Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000374658566 374624416 /nfs/dbraw/zinc/62/44/16/374624416.db2.gz GWQANSBRNCIMST-UHFFFAOYSA-N 1 2 272.308 2.116 20 5 CEBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000274421017 296240592 /nfs/dbraw/zinc/24/05/92/296240592.db2.gz OETQTRJQNRXPOP-WFASDCNBSA-N 1 2 292.335 2.147 20 5 CEBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000274421017 296240593 /nfs/dbraw/zinc/24/05/93/296240593.db2.gz OETQTRJQNRXPOP-WFASDCNBSA-N 1 2 292.335 2.147 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418925616 376365547 /nfs/dbraw/zinc/36/55/47/376365547.db2.gz SBRSXSYNYOVPOI-OKILXGFUSA-N 1 2 292.335 2.145 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418925616 376365555 /nfs/dbraw/zinc/36/55/55/376365555.db2.gz SBRSXSYNYOVPOI-OKILXGFUSA-N 1 2 292.335 2.145 20 5 CEBDLO Cc1cc(N[C@H](C)C[NH+]2CCOCC2)c(F)cc1[N+](=O)[O-] ZINC000290890740 376968633 /nfs/dbraw/zinc/96/86/33/376968633.db2.gz CVTCYYRXESEJDK-LLVKDONJSA-N 1 2 297.330 2.175 20 5 CEBDLO Cn1c[nH+]c(CCNc2ncc(Cl)cc2[N+](=O)[O-])c1 ZINC000313465961 249396308 /nfs/dbraw/zinc/39/63/08/249396308.db2.gz CXRMXYYLGAFLHA-UHFFFAOYSA-N 1 2 281.703 2.031 20 5 CEBDLO COC[C@H]1CC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000293704419 377711215 /nfs/dbraw/zinc/71/12/15/377711215.db2.gz XKERIGGOWRCDPN-LLVKDONJSA-N 1 2 270.716 2.469 20 5 CEBDLO COC[C@H]1CC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000293704419 377711222 /nfs/dbraw/zinc/71/12/22/377711222.db2.gz XKERIGGOWRCDPN-LLVKDONJSA-N 1 2 270.716 2.469 20 5 CEBDLO Cc1nn(CCc2[nH+]c3ccccc3n2C)cc1[N+](=O)[O-] ZINC000295441454 378159081 /nfs/dbraw/zinc/15/90/81/378159081.db2.gz VQXWFLLYUKRIAL-UHFFFAOYSA-N 1 2 285.307 2.229 20 5 CEBDLO COc1nccnc1C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000295440738 378159531 /nfs/dbraw/zinc/15/95/31/378159531.db2.gz PJFZYWMGECZDRB-SNVBAGLBSA-N 1 2 288.307 2.244 20 5 CEBDLO CCc1nnc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000296763277 378641037 /nfs/dbraw/zinc/64/10/37/378641037.db2.gz QRWLURBHZFHEHM-VIFPVBQESA-N 1 2 275.312 2.126 20 5 CEBDLO C[C@@H]1C[N@H+](CCNc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000523462458 379595279 /nfs/dbraw/zinc/59/52/79/379595279.db2.gz IOLRWCMIAXZMRP-SNVBAGLBSA-N 1 2 299.758 2.381 20 5 CEBDLO C[C@@H]1C[N@@H+](CCNc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000523462458 379595286 /nfs/dbraw/zinc/59/52/86/379595286.db2.gz IOLRWCMIAXZMRP-SNVBAGLBSA-N 1 2 299.758 2.381 20 5 CEBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCCOCC1 ZINC000493312010 380917756 /nfs/dbraw/zinc/91/77/56/380917756.db2.gz WIGOYJRBTNTTKQ-UHFFFAOYSA-N 1 2 270.716 2.471 20 5 CEBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCCOCC1 ZINC000493312010 380917763 /nfs/dbraw/zinc/91/77/63/380917763.db2.gz WIGOYJRBTNTTKQ-UHFFFAOYSA-N 1 2 270.716 2.471 20 5 CEBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000420943592 394449995 /nfs/dbraw/zinc/44/99/95/394449995.db2.gz RLGCWBIWBLIDJR-NWDGAFQWSA-N 1 2 294.351 2.128 20 5 CEBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000420943592 394449997 /nfs/dbraw/zinc/44/99/97/394449997.db2.gz RLGCWBIWBLIDJR-NWDGAFQWSA-N 1 2 294.351 2.128 20 5 CEBDLO C[C@@H](O)[C@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413226155 394508303 /nfs/dbraw/zinc/50/83/03/394508303.db2.gz DIMGJQUVMFMITA-PWSUYJOCSA-N 1 2 287.319 2.350 20 5 CEBDLO Cc1cc([N+](=O)[O-])cnc1N1CCC(n2cc[nH+]c2)CC1 ZINC000264791477 394641286 /nfs/dbraw/zinc/64/12/86/394641286.db2.gz ASMVYSDBIUPYIU-UHFFFAOYSA-N 1 2 287.323 2.336 20 5 CEBDLO Cc1cc(N2CCOc3ccc([N+](=O)[O-])cc3C2)nc[nH+]1 ZINC000357832197 394703699 /nfs/dbraw/zinc/70/36/99/394703699.db2.gz XSPYFDWBPGPQCI-UHFFFAOYSA-N 1 2 286.291 2.092 20 5 CEBDLO C[C@@H]1C[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CCCO1 ZINC000285858969 394974472 /nfs/dbraw/zinc/97/44/72/394974472.db2.gz DHISMOYGIOIGBP-SECBINFHSA-N 1 2 286.278 2.484 20 5 CEBDLO C[C@@H]1C[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CCCO1 ZINC000285858969 394974476 /nfs/dbraw/zinc/97/44/76/394974476.db2.gz DHISMOYGIOIGBP-SECBINFHSA-N 1 2 286.278 2.484 20 5 CEBDLO C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1nncn1C ZINC000516663092 395182517 /nfs/dbraw/zinc/18/25/17/395182517.db2.gz DCLWEQFIGAMGGF-CABZTGNLSA-N 1 2 287.323 2.061 20 5 CEBDLO CC(C)(CCC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)[N+](=O)[O-] ZINC000294840695 395279259 /nfs/dbraw/zinc/27/92/59/395279259.db2.gz YGOYUUDRKIZBGV-NSHDSACASA-N 1 2 294.355 2.299 20 5 CEBDLO CCc1cc(NCCF)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000435588841 395376130 /nfs/dbraw/zinc/37/61/30/395376130.db2.gz NDMRGXLOHTXKKD-UHFFFAOYSA-N 1 2 290.298 2.418 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1ccnn1C ZINC000355292819 395400482 /nfs/dbraw/zinc/40/04/82/395400482.db2.gz OKVXZIZKOSWHKN-UHFFFAOYSA-N 1 2 274.324 2.269 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)Cc1ccnn1C ZINC000355292819 395400483 /nfs/dbraw/zinc/40/04/83/395400483.db2.gz OKVXZIZKOSWHKN-UHFFFAOYSA-N 1 2 274.324 2.269 20 5 CEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](Cc1ccccc1)C1CC1 ZINC000355337590 395414385 /nfs/dbraw/zinc/41/43/85/395414385.db2.gz XURZBIGOJLYCEG-UHFFFAOYSA-N 1 2 286.335 2.493 20 5 CEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](Cc1ccccc1)C1CC1 ZINC000355337590 395414387 /nfs/dbraw/zinc/41/43/87/395414387.db2.gz XURZBIGOJLYCEG-UHFFFAOYSA-N 1 2 286.335 2.493 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](F)C1 ZINC000451187056 395590477 /nfs/dbraw/zinc/59/04/77/395590477.db2.gz CHYIMGFXSVFHGQ-JTQLQIEISA-N 1 2 254.261 2.147 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](F)C1 ZINC000451187056 395590479 /nfs/dbraw/zinc/59/04/79/395590479.db2.gz CHYIMGFXSVFHGQ-JTQLQIEISA-N 1 2 254.261 2.147 20 5 CEBDLO CO[C@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000330436724 286058989 /nfs/dbraw/zinc/05/89/89/286058989.db2.gz BLBXQUZIWWBDRB-MFKMUULPSA-N 1 2 280.324 2.300 20 5 CEBDLO CO[C@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000330436724 286058991 /nfs/dbraw/zinc/05/89/91/286058991.db2.gz BLBXQUZIWWBDRB-MFKMUULPSA-N 1 2 280.324 2.300 20 5 CEBDLO C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000339070134 287040336 /nfs/dbraw/zinc/04/03/36/287040336.db2.gz HSTIGGOPGKLTNI-SNVBAGLBSA-N 1 2 280.324 2.205 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(NCc2ccc[nH+]c2N(C)C)n1 ZINC000178171596 165225248 /nfs/dbraw/zinc/22/52/48/165225248.db2.gz LHZUOWUZKLLMJH-UHFFFAOYSA-N 1 2 287.323 2.371 20 5 CEBDLO CC[C@@H](C(=O)OC)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285155769 196208872 /nfs/dbraw/zinc/20/88/72/196208872.db2.gz AEVSIVGFZDCNHH-LBPRGKRZSA-N 1 2 280.324 2.021 20 5 CEBDLO CC[C@@H](C(=O)OC)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285155769 196208874 /nfs/dbraw/zinc/20/88/74/196208874.db2.gz AEVSIVGFZDCNHH-LBPRGKRZSA-N 1 2 280.324 2.021 20 5 CEBDLO CC(=O)c1cc(NCCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000285571232 196330976 /nfs/dbraw/zinc/33/09/76/196330976.db2.gz JUGFBYUOUTYHIK-UHFFFAOYSA-N 1 2 288.307 2.496 20 5 CEBDLO CC1(C)C[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1O ZINC000285187480 278336784 /nfs/dbraw/zinc/33/67/84/278336784.db2.gz DPXCWMWNHDRXHL-GFCCVEGCSA-N 1 2 286.278 2.076 20 5 CEBDLO CC1(C)C[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1O ZINC000285187480 278336785 /nfs/dbraw/zinc/33/67/85/278336785.db2.gz DPXCWMWNHDRXHL-GFCCVEGCSA-N 1 2 286.278 2.076 20 5 CEBDLO CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000274833301 282012956 /nfs/dbraw/zinc/01/29/56/282012956.db2.gz SFHAVWSBMBFMPT-VIFPVBQESA-N 1 2 295.339 2.406 20 5 CEBDLO COc1ccc(C[NH2+][C@H](C)c2ccn(C)n2)cc1[N+](=O)[O-] ZINC000459753483 290227595 /nfs/dbraw/zinc/22/75/95/290227595.db2.gz NJKUYEVRKIFVRZ-SNVBAGLBSA-N 1 2 290.323 2.188 20 5 CEBDLO Cc1sc(C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000293892129 294071013 /nfs/dbraw/zinc/07/10/13/294071013.db2.gz DOPAHNWGFKSQDU-DTORHVGOSA-N 1 2 297.380 2.129 20 5 CEBDLO Cc1sc(C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000293892129 294071017 /nfs/dbraw/zinc/07/10/17/294071017.db2.gz DOPAHNWGFKSQDU-DTORHVGOSA-N 1 2 297.380 2.129 20 5 CEBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(C(F)(F)F)CC1 ZINC000331076916 294457098 /nfs/dbraw/zinc/45/70/98/294457098.db2.gz WUWHOZUJVRADJJ-UHFFFAOYSA-N 1 2 292.261 2.103 20 5 CEBDLO Cc1cc(N2CC(n3cc[nH+]c3)C2)c(F)cc1[N+](=O)[O-] ZINC000576397985 314271856 /nfs/dbraw/zinc/27/18/56/314271856.db2.gz PCQQBPPLZPJNHB-UHFFFAOYSA-N 1 2 276.271 2.300 20 5 CEBDLO CCn1cc[nH+]c1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000385233308 321858966 /nfs/dbraw/zinc/85/89/66/321858966.db2.gz OJNIVAOJPNQDLO-UHFFFAOYSA-N 1 2 281.703 2.472 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@@H](C)[C@@H]1C ZINC000156493651 525458676 /nfs/dbraw/zinc/45/86/76/525458676.db2.gz SHICXUWCSXIWAH-QWRGUYRKSA-N 1 2 280.324 2.213 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@@H](C)[C@@H]1C ZINC000156493651 525458680 /nfs/dbraw/zinc/45/86/80/525458680.db2.gz SHICXUWCSXIWAH-QWRGUYRKSA-N 1 2 280.324 2.213 20 5 CEBDLO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000056196744 525589219 /nfs/dbraw/zinc/58/92/19/525589219.db2.gz CVECQGWNEQLTKW-IAQYHMDHSA-N 1 2 299.330 2.472 20 5 CEBDLO CCOc1cc(NCc2c[nH+]cn2C)ccc1[N+](=O)[O-] ZINC000357603630 528329862 /nfs/dbraw/zinc/32/98/62/528329862.db2.gz JIMHIQTUELUGOM-UHFFFAOYSA-N 1 2 276.296 2.339 20 5 CEBDLO CN(C)c1cc(NCCc2ccccc2[N+](=O)[O-])[nH+]cn1 ZINC000892696358 627678073 /nfs/dbraw/zinc/67/80/73/627678073.db2.gz NHRVVTAPZPYMKA-UHFFFAOYSA-N 1 2 287.323 2.105 20 5 CEBDLO CN(C)c1cc(NCCc2ccccc2[N+](=O)[O-])nc[nH+]1 ZINC000892696358 627678076 /nfs/dbraw/zinc/67/80/76/627678076.db2.gz NHRVVTAPZPYMKA-UHFFFAOYSA-N 1 2 287.323 2.105 20 5 CEBDLO Cc1nn(C[N@@H+]2CCCO[C@H](C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000840093628 631838353 /nfs/dbraw/zinc/83/83/53/631838353.db2.gz BIALIAVYIYICTJ-ZDUSSCGKSA-N 1 2 296.371 2.113 20 5 CEBDLO Cc1nn(C[N@H+]2CCCO[C@H](C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000840093628 631838360 /nfs/dbraw/zinc/83/83/60/631838360.db2.gz BIALIAVYIYICTJ-ZDUSSCGKSA-N 1 2 296.371 2.113 20 5 CEBDLO CC(C)(CNC(=O)c1ccc([N+](=O)[O-])s1)n1cc[nH+]c1 ZINC000898893910 632639553 /nfs/dbraw/zinc/63/95/53/632639553.db2.gz QPPCNJUSKVXTCO-UHFFFAOYSA-N 1 2 294.336 2.018 20 5 CEBDLO CCn1nc(C)c(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000818221517 633886408 /nfs/dbraw/zinc/88/64/08/633886408.db2.gz OYRCMWGNIWWWEF-UHFFFAOYSA-N 1 2 289.339 2.113 20 5 CEBDLO COC(=O)[C@@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000901641725 634223165 /nfs/dbraw/zinc/22/31/65/634223165.db2.gz BOHSXVCCPQLMEY-YGRLFVJLSA-N 1 2 292.335 2.240 20 5 CEBDLO Cc1cccc(C)c1C[N@H+](C)Cn1cc([N+](=O)[O-])cn1 ZINC000904439295 635637786 /nfs/dbraw/zinc/63/77/86/635637786.db2.gz KHFAKFYSIOUGRK-UHFFFAOYSA-N 1 2 274.324 2.498 20 5 CEBDLO Cc1cccc(C)c1C[N@@H+](C)Cn1cc([N+](=O)[O-])cn1 ZINC000904439295 635637792 /nfs/dbraw/zinc/63/77/92/635637792.db2.gz KHFAKFYSIOUGRK-UHFFFAOYSA-N 1 2 274.324 2.498 20 5 CEBDLO CC[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000844390619 640705027 /nfs/dbraw/zinc/70/50/27/640705027.db2.gz IYLOPICQNDGWHB-GLQYFDAESA-N 1 2 294.351 2.128 20 5 CEBDLO CC[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000844390619 640705032 /nfs/dbraw/zinc/70/50/32/640705032.db2.gz IYLOPICQNDGWHB-GLQYFDAESA-N 1 2 294.351 2.128 20 5 CEBDLO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3C[C@H]4[C@@H](C3)C4(F)F)c2c1 ZINC000844752425 640827066 /nfs/dbraw/zinc/82/70/66/640827066.db2.gz HSINESSPIXVMIR-PHIMTYICSA-N 1 2 294.261 2.099 20 5 CEBDLO O=[N+]([O-])c1ccc2cnn(C[N@H+]3C[C@H]4[C@@H](C3)C4(F)F)c2c1 ZINC000844752425 640827069 /nfs/dbraw/zinc/82/70/69/640827069.db2.gz HSINESSPIXVMIR-PHIMTYICSA-N 1 2 294.261 2.099 20 5 CEBDLO Cc1c(C(=O)O[C@H]2CC[N@H+](CCF)C2)cccc1[N+](=O)[O-] ZINC000788079439 642498947 /nfs/dbraw/zinc/49/89/47/642498947.db2.gz CFONMFURXBOHOR-NSHDSACASA-N 1 2 296.298 2.104 20 5 CEBDLO Cc1c(C(=O)O[C@H]2CC[N@@H+](CCF)C2)cccc1[N+](=O)[O-] ZINC000788079439 642498954 /nfs/dbraw/zinc/49/89/54/642498954.db2.gz CFONMFURXBOHOR-NSHDSACASA-N 1 2 296.298 2.104 20 5 CEBDLO COCC[N@H+](CCF)Cc1cccc([N+](=O)[O-])c1 ZINC000852483541 643440127 /nfs/dbraw/zinc/44/01/27/643440127.db2.gz KRJXBJFYSCMHCM-UHFFFAOYSA-N 1 2 256.277 2.013 20 5 CEBDLO COCC[N@@H+](CCF)Cc1cccc([N+](=O)[O-])c1 ZINC000852483541 643440130 /nfs/dbraw/zinc/44/01/30/643440130.db2.gz KRJXBJFYSCMHCM-UHFFFAOYSA-N 1 2 256.277 2.013 20 5 CEBDLO CC(C)(O)[C@@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000877796974 650913640 /nfs/dbraw/zinc/91/36/40/650913640.db2.gz OJKMHQPYRPFBRC-GFCCVEGCSA-N 1 2 294.351 2.283 20 5 CEBDLO CC(C)(O)[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000877796974 650913643 /nfs/dbraw/zinc/91/36/43/650913643.db2.gz OJKMHQPYRPFBRC-GFCCVEGCSA-N 1 2 294.351 2.283 20 5 CEBDLO CC(=O)c1ccc(N2CC(n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000759057082 644981752 /nfs/dbraw/zinc/98/17/52/644981752.db2.gz JABXGGSDYIRZHP-UHFFFAOYSA-N 1 2 286.291 2.055 20 5 CEBDLO O=C(C[N@@H+]1CC[C@H]2C[C@H]21)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000761082067 645234871 /nfs/dbraw/zinc/23/48/71/645234871.db2.gz GRRDOIAHRYKPQM-GZMMTYOYSA-N 1 2 295.726 2.281 20 5 CEBDLO O=C(C[N@H+]1CC[C@H]2C[C@H]21)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000761082067 645234873 /nfs/dbraw/zinc/23/48/73/645234873.db2.gz GRRDOIAHRYKPQM-GZMMTYOYSA-N 1 2 295.726 2.281 20 5 CEBDLO Cc1nn(C[N@H+]2CCS[C@@H](C)[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000118381721 646224418 /nfs/dbraw/zinc/22/44/18/646224418.db2.gz PAIZMUABLLPMJD-ONGXEEELSA-N 1 2 284.385 2.191 20 5 CEBDLO Cc1nn(C[N@@H+]2CCS[C@@H](C)[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000118381721 646224426 /nfs/dbraw/zinc/22/44/26/646224426.db2.gz PAIZMUABLLPMJD-ONGXEEELSA-N 1 2 284.385 2.191 20 5 CEBDLO CC(C)C1(O)C[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000773894295 646785345 /nfs/dbraw/zinc/78/53/45/646785345.db2.gz IYRTWADCVIPRDN-NSHDSACASA-N 1 2 264.325 2.359 20 5 CEBDLO Nc1cc(COC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC000787579172 648119695 /nfs/dbraw/zinc/11/96/95/648119695.db2.gz QXCKZCXWAWKHHD-ZZXKWVIFSA-N 1 2 299.286 2.329 20 5 CEBDLO C[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872025039 649244304 /nfs/dbraw/zinc/24/43/04/649244304.db2.gz YJTPFXWNFVAMGV-RCOVLWMOSA-N 1 2 296.220 2.308 20 5 CEBDLO CCO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872077454 649265177 /nfs/dbraw/zinc/26/51/77/649265177.db2.gz IPTQZAQMSQIKKA-IRUJWGPZSA-N 1 2 298.314 2.188 20 5 CEBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1NC[C@H]1COCC[N@H+]1C ZINC001169652692 811606383 /nfs/dbraw/zinc/60/63/83/811606383.db2.gz ATXZKOOJIORIEV-ZDUSSCGKSA-N 1 2 293.367 2.263 20 5 CEBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1NC[C@H]1COCC[N@@H+]1C ZINC001169652692 811606388 /nfs/dbraw/zinc/60/63/88/811606388.db2.gz ATXZKOOJIORIEV-ZDUSSCGKSA-N 1 2 293.367 2.263 20 5 CEBDLO COc1ccc(C[C@@H](C)[NH+]2CC(C)(OC)C2)c([N+](=O)[O-])c1 ZINC001170329566 812388807 /nfs/dbraw/zinc/38/88/07/812388807.db2.gz RPJLOQGDXVBXPY-LLVKDONJSA-N 1 2 294.351 2.255 20 5 CEBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC001254551193 812485939 /nfs/dbraw/zinc/48/59/39/812485939.db2.gz ZZQWBNQABGZLKP-RYUDHWBXSA-N 1 2 276.336 2.437 20 5 CEBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC(=O)[C@@H](C)C1 ZINC001254551193 812485945 /nfs/dbraw/zinc/48/59/45/812485945.db2.gz ZZQWBNQABGZLKP-RYUDHWBXSA-N 1 2 276.336 2.437 20 5 CEBDLO CC(C)(C)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000232578898 814259827 /nfs/dbraw/zinc/25/98/27/814259827.db2.gz ZERWCUMIUSWKHI-UHFFFAOYSA-N 1 2 281.312 2.017 20 5 CEBDLO Cc1cc(N(C)CCc2cccc([N+](=O)[O-])c2)nc[nH+]1 ZINC000337838186 214281611 /nfs/dbraw/zinc/28/16/11/214281611.db2.gz YGXRSIFZVQBCCF-UHFFFAOYSA-N 1 2 272.308 2.372 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccccn1 ZINC000037011403 361881947 /nfs/dbraw/zinc/88/19/47/361881947.db2.gz UDRMECMJCBYSFA-UHFFFAOYSA-N 1 2 273.292 2.288 20 5 CEBDLO COC(=O)c1occc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000037668431 361921461 /nfs/dbraw/zinc/92/14/61/361921461.db2.gz OUGCECMRSAEXTF-UHFFFAOYSA-N 1 2 290.275 2.264 20 5 CEBDLO O=[N+]([O-])c1cnc(NCCCCNc2cccc[nH+]2)nc1 ZINC000273130806 192052038 /nfs/dbraw/zinc/05/20/38/192052038.db2.gz BPEYEBNTHFQNQB-UHFFFAOYSA-N 1 2 288.311 2.084 20 5 CEBDLO O=[N+]([O-])c1ccc(NCCn2cc[nH+]c2)c2ncccc12 ZINC000041064642 362015910 /nfs/dbraw/zinc/01/59/10/362015910.db2.gz FNBJLQZXAUUDAB-UHFFFAOYSA-N 1 2 283.291 2.452 20 5 CEBDLO CC[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000045751971 343487465 /nfs/dbraw/zinc/48/74/65/343487465.db2.gz LSEMYAZAMRGHRC-ZDUSSCGKSA-N 1 2 250.298 2.206 20 5 CEBDLO CC[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000045751971 343487468 /nfs/dbraw/zinc/48/74/68/343487468.db2.gz LSEMYAZAMRGHRC-ZDUSSCGKSA-N 1 2 250.298 2.206 20 5 CEBDLO C[C@@H]1CCN(c2ccc([N+](=O)[O-])cn2)C[C@@H]1n1cc[nH+]c1 ZINC000134043250 136390999 /nfs/dbraw/zinc/39/09/99/136390999.db2.gz VEOQWSICBVWUFQ-YPMHNXCESA-N 1 2 287.323 2.274 20 5 CEBDLO COCCNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000077409521 343919806 /nfs/dbraw/zinc/91/98/06/343919806.db2.gz AMXUDOWYQZQFJO-UHFFFAOYSA-N 1 2 288.307 2.419 20 5 CEBDLO Cc1ccc[nH+]c1CCCNc1c([N+](=O)[O-])ncn1C ZINC000295087980 199338710 /nfs/dbraw/zinc/33/87/10/199338710.db2.gz YTJIGKXTNZDVOM-UHFFFAOYSA-N 1 2 275.312 2.076 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)c(F)c1 ZINC000590972124 345207776 /nfs/dbraw/zinc/20/77/76/345207776.db2.gz CUFBVTJLNKFBRX-RISCZKNCSA-N 1 2 280.299 2.345 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]3COC[C@@H]32)c(F)c1 ZINC000590972124 345207777 /nfs/dbraw/zinc/20/77/77/345207777.db2.gz CUFBVTJLNKFBRX-RISCZKNCSA-N 1 2 280.299 2.345 20 5 CEBDLO C[C@H](O)C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C1CC1 ZINC000594063618 345577032 /nfs/dbraw/zinc/57/70/32/345577032.db2.gz JSIOGEUBAIPNEN-QMMMGPOBSA-N 1 2 286.278 2.218 20 5 CEBDLO C[C@H](O)C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C1CC1 ZINC000594063618 345577033 /nfs/dbraw/zinc/57/70/33/345577033.db2.gz JSIOGEUBAIPNEN-QMMMGPOBSA-N 1 2 286.278 2.218 20 5 CEBDLO C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1nccn1C ZINC000594995987 345723359 /nfs/dbraw/zinc/72/33/59/345723359.db2.gz PQVMCLUSTZQUNB-MRVPVSSYSA-N 1 2 266.326 2.241 20 5 CEBDLO CC[N@H+](CCSC)Cc1onc(C)c1[N+](=O)[O-] ZINC000595569176 345815741 /nfs/dbraw/zinc/81/57/41/345815741.db2.gz OXILPIKHVSIETP-UHFFFAOYSA-N 1 2 259.331 2.076 20 5 CEBDLO CC[N@@H+](CCSC)Cc1onc(C)c1[N+](=O)[O-] ZINC000595569176 345815744 /nfs/dbraw/zinc/81/57/44/345815744.db2.gz OXILPIKHVSIETP-UHFFFAOYSA-N 1 2 259.331 2.076 20 5 CEBDLO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000595419126 345777664 /nfs/dbraw/zinc/77/76/64/345777664.db2.gz UQUTVBNHPUBVAW-ZCFIWIBFSA-N 1 2 280.284 2.347 20 5 CEBDLO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595449261 345785584 /nfs/dbraw/zinc/78/55/84/345785584.db2.gz OLXLNTRILLMUCS-TXEJJXNPSA-N 1 2 278.283 2.430 20 5 CEBDLO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595449261 345785587 /nfs/dbraw/zinc/78/55/87/345785587.db2.gz OLXLNTRILLMUCS-TXEJJXNPSA-N 1 2 278.283 2.430 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)Cc1cn(C)nn1 ZINC000595757674 345868136 /nfs/dbraw/zinc/86/81/36/345868136.db2.gz GSJILYXIVIRKBP-NSHDSACASA-N 1 2 289.339 2.225 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)Cc1cn(C)nn1 ZINC000595757674 345868137 /nfs/dbraw/zinc/86/81/37/345868137.db2.gz GSJILYXIVIRKBP-NSHDSACASA-N 1 2 289.339 2.225 20 5 CEBDLO C[C@@H]1C[C@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])c2[nH+]ccn21 ZINC000596257860 345982984 /nfs/dbraw/zinc/98/29/84/345982984.db2.gz RZUICHLWOXJKHX-APPZFPTMSA-N 1 2 275.268 2.010 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2[nH+]ccn2C)c1 ZINC000598464746 346361174 /nfs/dbraw/zinc/36/11/74/346361174.db2.gz MKJCOUKGTNAZSM-JTQLQIEISA-N 1 2 288.307 2.128 20 5 CEBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC[C@H](O)C1 ZINC000599015082 346446109 /nfs/dbraw/zinc/44/61/09/346446109.db2.gz FLTGGGDZCCIRKY-NSHDSACASA-N 1 2 273.292 2.104 20 5 CEBDLO C[C@@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1O ZINC000351751974 219194855 /nfs/dbraw/zinc/19/48/55/219194855.db2.gz BFFUMMXUTOTOIM-OQPBUACISA-N 1 2 286.278 2.076 20 5 CEBDLO C[C@@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1O ZINC000351751974 219194857 /nfs/dbraw/zinc/19/48/57/219194857.db2.gz BFFUMMXUTOTOIM-OQPBUACISA-N 1 2 286.278 2.076 20 5 CEBDLO Cn1cc(C[N@@H+]2CCC[C@@H]2c2ccncc2)c([N+](=O)[O-])n1 ZINC000602660155 347128409 /nfs/dbraw/zinc/12/84/09/347128409.db2.gz ZLOBVIVBRNOKPF-CYBMUJFWSA-N 1 2 287.323 2.060 20 5 CEBDLO Cn1cc(C[N@H+]2CCC[C@@H]2c2ccncc2)c([N+](=O)[O-])n1 ZINC000602660155 347128411 /nfs/dbraw/zinc/12/84/11/347128411.db2.gz ZLOBVIVBRNOKPF-CYBMUJFWSA-N 1 2 287.323 2.060 20 5 CEBDLO CC[C@H](c1ccncc1)[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602796138 347201713 /nfs/dbraw/zinc/20/17/13/347201713.db2.gz DDZUQYYUUAEMNN-CYBMUJFWSA-N 1 2 289.339 2.306 20 5 CEBDLO CC[C@H](c1ccncc1)[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602796138 347201716 /nfs/dbraw/zinc/20/17/16/347201716.db2.gz DDZUQYYUUAEMNN-CYBMUJFWSA-N 1 2 289.339 2.306 20 5 CEBDLO CC[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1nccs1 ZINC000602811958 347209982 /nfs/dbraw/zinc/20/99/82/347209982.db2.gz QHQNDRBADXWNTQ-SECBINFHSA-N 1 2 281.341 2.026 20 5 CEBDLO Cc1cn2cc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)ccc2[nH+]1 ZINC000339269642 215052302 /nfs/dbraw/zinc/05/23/02/215052302.db2.gz VWRVYWVUZPMYSP-UHFFFAOYSA-N 1 2 285.263 2.131 20 5 CEBDLO Cn1cc(C[NH2+][C@@H](CF)c2ccc(F)cc2)c([N+](=O)[O-])n1 ZINC000603014599 347272651 /nfs/dbraw/zinc/27/26/51/347272651.db2.gz ARMXMOCBKBSCFS-LBPRGKRZSA-N 1 2 296.277 2.268 20 5 CEBDLO O=[N+]([O-])c1ccccc1C=CCNc1ccc(CO)c[nH+]1 ZINC000356323514 370658380 /nfs/dbraw/zinc/65/83/80/370658380.db2.gz TVWQANURLASRCD-HWKANZROSA-N 1 2 285.303 2.029 20 5 CEBDLO O=[N+]([O-])c1ccc(-n2c[nH+]c(CCCO)c2)c(Cl)c1 ZINC000609496756 347640942 /nfs/dbraw/zinc/64/09/42/347640942.db2.gz QLIOGUQCXCBZFN-UHFFFAOYSA-N 1 2 281.699 2.359 20 5 CEBDLO Cc1cccn2cc(CCNc3ccncc3[N+](=O)[O-])[nH+]c12 ZINC000610468853 347682647 /nfs/dbraw/zinc/68/26/47/347682647.db2.gz MBCODXUNDRYIAM-UHFFFAOYSA-N 1 2 297.318 2.022 20 5 CEBDLO C[C@@H]1COCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610990860 347728017 /nfs/dbraw/zinc/72/80/17/347728017.db2.gz RASJWMPQTMQJLU-SNVBAGLBSA-N 1 2 291.307 2.347 20 5 CEBDLO C[C@@H]1COCCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610990860 347728019 /nfs/dbraw/zinc/72/80/19/347728019.db2.gz RASJWMPQTMQJLU-SNVBAGLBSA-N 1 2 291.307 2.347 20 5 CEBDLO Cc1cn2c([nH+]1)CN(c1ncc(Cl)cc1[N+](=O)[O-])CC2 ZINC000611764246 347814733 /nfs/dbraw/zinc/81/47/33/347814733.db2.gz LAPZAYYSYDGPFN-UHFFFAOYSA-N 1 2 293.714 2.168 20 5 CEBDLO Nc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000611528411 347791637 /nfs/dbraw/zinc/79/16/37/347791637.db2.gz PDSSUKGBMNJRSW-UHFFFAOYSA-N 1 2 297.274 2.077 20 5 CEBDLO C[C@@H]1C[N@@H+](CCN(C)c2ccc([N+](=O)[O-])s2)C[C@H](C)O1 ZINC000618978455 349083172 /nfs/dbraw/zinc/08/31/72/349083172.db2.gz UZZGHYIKTBEBQI-PHIMTYICSA-N 1 2 299.396 2.202 20 5 CEBDLO C[C@@H]1C[N@H+](CCN(C)c2ccc([N+](=O)[O-])s2)C[C@H](C)O1 ZINC000618978455 349083176 /nfs/dbraw/zinc/08/31/76/349083176.db2.gz UZZGHYIKTBEBQI-PHIMTYICSA-N 1 2 299.396 2.202 20 5 CEBDLO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000352203610 219361108 /nfs/dbraw/zinc/36/11/08/219361108.db2.gz TZCLRABTVOGXEO-SNVBAGLBSA-N 1 2 268.288 2.345 20 5 CEBDLO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000352203610 219361110 /nfs/dbraw/zinc/36/11/10/219361110.db2.gz TZCLRABTVOGXEO-SNVBAGLBSA-N 1 2 268.288 2.345 20 5 CEBDLO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cnccn1 ZINC000070479576 363091573 /nfs/dbraw/zinc/09/15/73/363091573.db2.gz GKAUBAIAJJLETF-JTQLQIEISA-N 1 2 258.281 2.236 20 5 CEBDLO CC(=O)c1ccc(N[C@@H](C)Cn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000271603891 191237490 /nfs/dbraw/zinc/23/74/90/191237490.db2.gz IUJKWXZIZMOBQQ-JTQLQIEISA-N 1 2 288.307 2.495 20 5 CEBDLO Cc1ccc([C@H](C)[NH2+]Cc2ncc[nH]2)cc1[N+](=O)[O-] ZINC000080581389 363670806 /nfs/dbraw/zinc/67/08/06/363670806.db2.gz VNNQDLUUHUVZQV-JTQLQIEISA-N 1 2 260.297 2.477 20 5 CEBDLO O=[N+]([O-])c1ccc(NC2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000338997906 366605922 /nfs/dbraw/zinc/60/59/22/366605922.db2.gz YSEHJFKJOCQRIP-UHFFFAOYSA-N 1 2 299.334 2.466 20 5 CEBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@](F)(CO)C1 ZINC000338998938 366606727 /nfs/dbraw/zinc/60/67/27/366606727.db2.gz INBHXWNIQFRRNW-PKXJPQMGSA-N 1 2 280.299 2.014 20 5 CEBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@](F)(CO)C1 ZINC000338998938 366606729 /nfs/dbraw/zinc/60/67/29/366606729.db2.gz INBHXWNIQFRRNW-PKXJPQMGSA-N 1 2 280.299 2.014 20 5 CEBDLO CC[C@H]([NH2+]Cc1nnc(C)n1C)c1cccc([N+](=O)[O-])c1 ZINC000178308105 189104280 /nfs/dbraw/zinc/10/42/80/189104280.db2.gz SAVYQNAMWNJHRM-ZDUSSCGKSA-N 1 2 289.339 2.273 20 5 CEBDLO CCCC[N@H+](CC(N)=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182065990 189313092 /nfs/dbraw/zinc/31/30/92/189313092.db2.gz RITHTPVNKSEMAI-UHFFFAOYSA-N 1 2 299.758 2.336 20 5 CEBDLO CCCC[N@@H+](CC(N)=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182065990 189313093 /nfs/dbraw/zinc/31/30/93/189313093.db2.gz RITHTPVNKSEMAI-UHFFFAOYSA-N 1 2 299.758 2.336 20 5 CEBDLO O=[N+]([O-])c1ccc2c(c1)N(CCCn1cc[nH+]c1)CC2 ZINC000182780294 189334618 /nfs/dbraw/zinc/33/46/18/189334618.db2.gz GWYYXWNLUKMMNQ-UHFFFAOYSA-N 1 2 272.308 2.244 20 5 CEBDLO Cc1ccc(C[N@H+](C)CC(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000120663858 365457710 /nfs/dbraw/zinc/45/77/10/365457710.db2.gz NHRRIZISRIBOCF-UHFFFAOYSA-N 1 2 293.367 2.250 20 5 CEBDLO Cc1ccc(C[N@@H+](C)CC(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000120663858 365457715 /nfs/dbraw/zinc/45/77/15/365457715.db2.gz NHRRIZISRIBOCF-UHFFFAOYSA-N 1 2 293.367 2.250 20 5 CEBDLO Cc1[nH]c2ccc(Cn3c(C)ncc3[N+](=O)[O-])cc2[nH+]1 ZINC000342685504 367482711 /nfs/dbraw/zinc/48/27/11/367482711.db2.gz ISGKRLBGXPTNPL-UHFFFAOYSA-N 1 2 271.280 2.333 20 5 CEBDLO Cc1[nH]c2cc(Cn3c(C)ncc3[N+](=O)[O-])ccc2[nH+]1 ZINC000342685504 367482718 /nfs/dbraw/zinc/48/27/18/367482718.db2.gz ISGKRLBGXPTNPL-UHFFFAOYSA-N 1 2 271.280 2.333 20 5 CEBDLO CC(C)(C(=O)Nc1cccc([N+](=O)[O-])c1)c1c[nH+]c[nH]1 ZINC000345637634 368354249 /nfs/dbraw/zinc/35/42/49/368354249.db2.gz IHJXDQNJSIVDHG-UHFFFAOYSA-N 1 2 274.280 2.234 20 5 CEBDLO CC(C)(C(=O)Nc1cccc([N+](=O)[O-])c1)c1c[nH]c[nH+]1 ZINC000345637634 368354253 /nfs/dbraw/zinc/35/42/53/368354253.db2.gz IHJXDQNJSIVDHG-UHFFFAOYSA-N 1 2 274.280 2.234 20 5 CEBDLO Cc1ccc(NC(=O)CCc2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000345640740 368355067 /nfs/dbraw/zinc/35/50/67/368355067.db2.gz MKTGFFGNUDXROZ-UHFFFAOYSA-N 1 2 274.280 2.198 20 5 CEBDLO CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)C(F)(F)F ZINC000185664326 368838850 /nfs/dbraw/zinc/83/88/50/368838850.db2.gz DZBBPTYCVIDFMV-LLVKDONJSA-N 1 2 292.257 2.340 20 5 CEBDLO CC[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)C(F)(F)F ZINC000185664326 368838853 /nfs/dbraw/zinc/83/88/53/368838853.db2.gz DZBBPTYCVIDFMV-LLVKDONJSA-N 1 2 292.257 2.340 20 5 CEBDLO COc1ccc(C[N@@H+]2CCO[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000330718412 203150266 /nfs/dbraw/zinc/15/02/66/203150266.db2.gz ARBREQFPXQTGCX-HNNXBMFYSA-N 1 2 294.351 2.460 20 5 CEBDLO COc1ccc(C[N@H+]2CCO[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000330718412 203150269 /nfs/dbraw/zinc/15/02/69/203150269.db2.gz ARBREQFPXQTGCX-HNNXBMFYSA-N 1 2 294.351 2.460 20 5 CEBDLO CC[N@@H+](Cc1csc([N+](=O)[O-])c1)C[C@@H](O)C(F)(F)F ZINC000189530984 369532175 /nfs/dbraw/zinc/53/21/75/369532175.db2.gz HLIXQMXZJIZYMP-MRVPVSSYSA-N 1 2 298.286 2.401 20 5 CEBDLO CC[N@H+](Cc1csc([N+](=O)[O-])c1)C[C@@H](O)C(F)(F)F ZINC000189530984 369532180 /nfs/dbraw/zinc/53/21/80/369532180.db2.gz HLIXQMXZJIZYMP-MRVPVSSYSA-N 1 2 298.286 2.401 20 5 CEBDLO CCOCCOCC[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000190276180 369610281 /nfs/dbraw/zinc/61/02/81/369610281.db2.gz ZEWYTEKOECZPKU-UHFFFAOYSA-N 1 2 288.369 2.141 20 5 CEBDLO CCOCCOCC[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000190276180 369610285 /nfs/dbraw/zinc/61/02/85/369610285.db2.gz ZEWYTEKOECZPKU-UHFFFAOYSA-N 1 2 288.369 2.141 20 5 CEBDLO Nc1ccc([N+](=O)[O-])c(N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000193486915 369946904 /nfs/dbraw/zinc/94/69/04/369946904.db2.gz YTZNJTCLFMWPNG-LBPRGKRZSA-N 1 2 299.334 2.263 20 5 CEBDLO COc1cc(NCc2[nH+]ccn2C)c(F)cc1[N+](=O)[O-] ZINC000223231327 370263086 /nfs/dbraw/zinc/26/30/86/370263086.db2.gz RODIJJPAVJXSLH-UHFFFAOYSA-N 1 2 280.259 2.088 20 5 CEBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1[nH]cc[nH+]1 ZINC000355554658 370598060 /nfs/dbraw/zinc/59/80/60/370598060.db2.gz FRCPXSPVAGMLJQ-UHFFFAOYSA-N 1 2 289.295 2.256 20 5 CEBDLO Cc1[nH]c2ccc(Cn3ccc(C)c([N+](=O)[O-])c3=O)cc2[nH+]1 ZINC000358857497 371249254 /nfs/dbraw/zinc/24/92/54/371249254.db2.gz ZPORZTIVRDHWHI-UHFFFAOYSA-N 1 2 298.302 2.298 20 5 CEBDLO Cc1[nH]c2cc(Cn3ccc(C)c([N+](=O)[O-])c3=O)ccc2[nH+]1 ZINC000358857497 371249257 /nfs/dbraw/zinc/24/92/57/371249257.db2.gz ZPORZTIVRDHWHI-UHFFFAOYSA-N 1 2 298.302 2.298 20 5 CEBDLO COC[C@@H]1C[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000251918452 371424298 /nfs/dbraw/zinc/42/42/98/371424298.db2.gz SFWUFNIDLNWYGX-HUBLWGQQSA-N 1 2 294.351 2.392 20 5 CEBDLO COC[C@@H]1C[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000251918452 371424303 /nfs/dbraw/zinc/42/43/03/371424303.db2.gz SFWUFNIDLNWYGX-HUBLWGQQSA-N 1 2 294.351 2.392 20 5 CEBDLO COC[C@@H]1C[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000251918461 371424632 /nfs/dbraw/zinc/42/46/32/371424632.db2.gz SFWUFNIDLNWYGX-XUJVJEKNSA-N 1 2 294.351 2.392 20 5 CEBDLO COC[C@@H]1C[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000251918461 371424639 /nfs/dbraw/zinc/42/46/39/371424639.db2.gz SFWUFNIDLNWYGX-XUJVJEKNSA-N 1 2 294.351 2.392 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)c1nncn1C ZINC000268944640 372297875 /nfs/dbraw/zinc/29/78/75/372297875.db2.gz WEQDQKOAWXQOQE-MNOVXSKESA-N 1 2 289.339 2.444 20 5 CEBDLO Cc1c(C[N@@H+]2CC[C@H]3CCOC(=O)[C@@H]32)cccc1[N+](=O)[O-] ZINC000368581285 373247100 /nfs/dbraw/zinc/24/71/00/373247100.db2.gz QSXXKJVUEXMGEH-SMDDNHRTSA-N 1 2 290.319 2.041 20 5 CEBDLO Cc1c(C[N@H+]2CC[C@H]3CCOC(=O)[C@@H]32)cccc1[N+](=O)[O-] ZINC000368581285 373247106 /nfs/dbraw/zinc/24/71/06/373247106.db2.gz QSXXKJVUEXMGEH-SMDDNHRTSA-N 1 2 290.319 2.041 20 5 CEBDLO O=[N+]([O-])c1ccc2c(c1NCCCn1cc[nH+]c1)CCN2 ZINC000275198545 374182750 /nfs/dbraw/zinc/18/27/50/374182750.db2.gz ASVSPHBEEDGQFU-UHFFFAOYSA-N 1 2 287.323 2.262 20 5 CEBDLO CC(C)OC[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000373490245 374365560 /nfs/dbraw/zinc/36/55/60/374365560.db2.gz POMNLNGPCDVSGE-AWEZNQCLSA-N 1 2 294.351 2.221 20 5 CEBDLO CC(C)OC[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000373490245 374365570 /nfs/dbraw/zinc/36/55/70/374365570.db2.gz POMNLNGPCDVSGE-AWEZNQCLSA-N 1 2 294.351 2.221 20 5 CEBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000377317145 374834489 /nfs/dbraw/zinc/83/44/89/374834489.db2.gz NYSUCCKLKOPZNS-GFCCVEGCSA-N 1 2 286.291 2.295 20 5 CEBDLO COCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000281029891 375350415 /nfs/dbraw/zinc/35/04/15/375350415.db2.gz PCPISNYPXQXWGB-UHFFFAOYSA-N 1 2 299.758 2.017 20 5 CEBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000277581113 296240613 /nfs/dbraw/zinc/24/06/13/296240613.db2.gz VUCHFKBZRQHFRQ-JGRMJRGVSA-N 1 2 296.392 2.356 20 5 CEBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000277581113 296240615 /nfs/dbraw/zinc/24/06/15/296240615.db2.gz VUCHFKBZRQHFRQ-JGRMJRGVSA-N 1 2 296.392 2.356 20 5 CEBDLO CCc1nnc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000289807969 376509299 /nfs/dbraw/zinc/50/92/99/376509299.db2.gz MVHMLZWSFTTYQO-UHFFFAOYSA-N 1 2 278.337 2.299 20 5 CEBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@@H]1CCCC[C@@H]1O ZINC000330461093 377143586 /nfs/dbraw/zinc/14/35/86/377143586.db2.gz WOALZPZVTNPINM-NHYWBVRUSA-N 1 2 294.351 2.283 20 5 CEBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@@H]1CCCC[C@@H]1O ZINC000330461093 377143593 /nfs/dbraw/zinc/14/35/93/377143593.db2.gz WOALZPZVTNPINM-NHYWBVRUSA-N 1 2 294.351 2.283 20 5 CEBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@H]1CCCC[C@H]1O ZINC000330461092 377143826 /nfs/dbraw/zinc/14/38/26/377143826.db2.gz WOALZPZVTNPINM-IAQYHMDHSA-N 1 2 294.351 2.283 20 5 CEBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@H]1CCCC[C@H]1O ZINC000330461092 377143832 /nfs/dbraw/zinc/14/38/32/377143832.db2.gz WOALZPZVTNPINM-IAQYHMDHSA-N 1 2 294.351 2.283 20 5 CEBDLO C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330458862 377144270 /nfs/dbraw/zinc/14/42/70/377144270.db2.gz PPONLJADWWJCJV-DGCLKSJQSA-N 1 2 294.351 2.426 20 5 CEBDLO C[C@@H](O)C[C@H]1CCCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330458862 377144272 /nfs/dbraw/zinc/14/42/72/377144272.db2.gz PPONLJADWWJCJV-DGCLKSJQSA-N 1 2 294.351 2.426 20 5 CEBDLO O=[N+]([O-])c1cccc2c(N3CCn4c[nH+]cc4C3)ccnc21 ZINC000432180234 377727541 /nfs/dbraw/zinc/72/75/41/377727541.db2.gz VAVZCLDHFUMFMQ-UHFFFAOYSA-N 1 2 295.302 2.360 20 5 CEBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3ccco3)nc2c1 ZINC000346226010 217846329 /nfs/dbraw/zinc/84/63/29/217846329.db2.gz VJTDVPHTZAKXSJ-UHFFFAOYSA-N 1 2 272.264 2.354 20 5 CEBDLO CCc1nn(C)c(NCCc2[nH+]cccc2C)c1[N+](=O)[O-] ZINC000295634856 378245890 /nfs/dbraw/zinc/24/58/90/378245890.db2.gz BOOOIBIPEWZNPX-UHFFFAOYSA-N 1 2 289.339 2.249 20 5 CEBDLO Cc1ccc[nH+]c1CCNc1ncc([N+](=O)[O-])s1 ZINC000295641881 378248498 /nfs/dbraw/zinc/24/84/98/378248498.db2.gz CFEKZHMWNIDDMH-UHFFFAOYSA-N 1 2 264.310 2.409 20 5 CEBDLO CN(Cc1[nH+]ccn1C)c1ccc(F)cc1[N+](=O)[O-] ZINC000299436182 378997309 /nfs/dbraw/zinc/99/73/09/378997309.db2.gz ORIPAEBJQCSDOD-UHFFFAOYSA-N 1 2 264.260 2.104 20 5 CEBDLO Cc1c(C[N@H+](C)Cc2csc([N+](=O)[O-])c2)cnn1C ZINC000515185513 379191361 /nfs/dbraw/zinc/19/13/61/379191361.db2.gz PJOMZLQZQDERTD-UHFFFAOYSA-N 1 2 280.353 2.330 20 5 CEBDLO Cc1c(C[N@@H+](C)Cc2csc([N+](=O)[O-])c2)cnn1C ZINC000515185513 379191366 /nfs/dbraw/zinc/19/13/66/379191366.db2.gz PJOMZLQZQDERTD-UHFFFAOYSA-N 1 2 280.353 2.330 20 5 CEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N[C@@H]3CCOC3)c2c1 ZINC000413206808 285147951 /nfs/dbraw/zinc/14/79/51/285147951.db2.gz QAICKJHJACODNU-SNVBAGLBSA-N 1 2 259.265 2.344 20 5 CEBDLO Cc1cc(N2CCc3c(cccc3[N+](=O)[O-])C2)nc[nH+]1 ZINC000301812533 394466080 /nfs/dbraw/zinc/46/60/80/394466080.db2.gz FHCZTCIWYQJXDS-UHFFFAOYSA-N 1 2 270.292 2.256 20 5 CEBDLO C[C@H](C[S@@](C)=O)Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413230059 394508342 /nfs/dbraw/zinc/50/83/42/394508342.db2.gz KNVPRRGCDDCMBE-GSDQLPOLSA-N 1 2 293.348 2.322 20 5 CEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC(O)(C4CC4)C3)c2c1 ZINC000413240244 394510990 /nfs/dbraw/zinc/51/09/90/394510990.db2.gz FWMNJPKZCXIVMV-UHFFFAOYSA-N 1 2 285.303 2.104 20 5 CEBDLO COCc1nc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)cs1 ZINC000266231013 394662485 /nfs/dbraw/zinc/66/24/85/394662485.db2.gz UQZPPSBAIQNGFD-UHFFFAOYSA-N 1 2 293.348 2.488 20 5 CEBDLO CC1(C)C[N@H+](CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000076431224 394618543 /nfs/dbraw/zinc/61/85/43/394618543.db2.gz WWJKORNBRDBQNJ-UHFFFAOYSA-N 1 2 280.324 2.084 20 5 CEBDLO CC1(C)C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000076431224 394618546 /nfs/dbraw/zinc/61/85/46/394618546.db2.gz WWJKORNBRDBQNJ-UHFFFAOYSA-N 1 2 280.324 2.084 20 5 CEBDLO C[C@@H](Cn1cc[nH+]c1)Nc1c(F)cccc1[N+](=O)[O-] ZINC000285994144 394997541 /nfs/dbraw/zinc/99/75/41/394997541.db2.gz CVQKFOAAFFIYSM-VIFPVBQESA-N 1 2 264.260 2.431 20 5 CEBDLO Cc1cn2c([nH+]1)CN(c1ccc([N+](=O)[O-])cc1F)CC2 ZINC000374712032 395086454 /nfs/dbraw/zinc/08/64/54/395086454.db2.gz BRFMLTAIVMSODP-UHFFFAOYSA-N 1 2 276.271 2.259 20 5 CEBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1C ZINC000293286793 395226023 /nfs/dbraw/zinc/22/60/23/395226023.db2.gz CXNQHPYWBTWNAM-RKDXNWHRSA-N 1 2 265.269 2.343 20 5 CEBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1C ZINC000293286793 395226029 /nfs/dbraw/zinc/22/60/29/395226029.db2.gz CXNQHPYWBTWNAM-RKDXNWHRSA-N 1 2 265.269 2.343 20 5 CEBDLO CN(Cc1ccccc1[N+](=O)[O-])c1nc[nH+]c(N)c1Cl ZINC000192275269 395378577 /nfs/dbraw/zinc/37/85/77/395378577.db2.gz VFPKXISDCWVJQY-UHFFFAOYSA-N 1 2 293.714 2.257 20 5 CEBDLO CN(Cc1ccccc1[N+](=O)[O-])c1[nH+]cnc(N)c1Cl ZINC000192275269 395378579 /nfs/dbraw/zinc/37/85/79/395378579.db2.gz VFPKXISDCWVJQY-UHFFFAOYSA-N 1 2 293.714 2.257 20 5 CEBDLO CC[C@@H]1C[C@H]([NH+]=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)CCO1 ZINC000420629324 395393210 /nfs/dbraw/zinc/39/32/10/395393210.db2.gz GNFWMWBYBISMBG-MWLCHTKSSA-N 1 2 290.323 2.263 20 5 CEBDLO Cc1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc[nH+]1 ZINC000346815572 154301793 /nfs/dbraw/zinc/30/17/93/154301793.db2.gz LOJRBLMGLUYLIN-UHFFFAOYSA-N 1 2 275.239 2.112 20 5 CEBDLO CC(C)(CNc1ccc(F)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000045287733 175353931 /nfs/dbraw/zinc/35/39/31/175353931.db2.gz IEOVCLRIWCUIPG-UHFFFAOYSA-N 1 2 297.330 2.257 20 5 CEBDLO O=[N+]([O-])c1ccc(CNCc2[nH]cc[nH+]2)c(Cl)c1 ZINC000183805654 270240438 /nfs/dbraw/zinc/24/04/38/270240438.db2.gz WIOTVDHGKXCVFO-UHFFFAOYSA-N 1 2 266.688 2.261 20 5 CEBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2ncc[nH]2)c(Cl)c1 ZINC000183805654 270240439 /nfs/dbraw/zinc/24/04/39/270240439.db2.gz WIOTVDHGKXCVFO-UHFFFAOYSA-N 1 2 266.688 2.261 20 5 CEBDLO COc1cc(N(C)CCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000268961328 270331081 /nfs/dbraw/zinc/33/10/81/270331081.db2.gz LGGPLEOBVSCOMZ-UHFFFAOYSA-N 1 2 290.323 2.326 20 5 CEBDLO COC(=O)[C@@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000103481504 277347678 /nfs/dbraw/zinc/34/76/78/277347678.db2.gz DVYPGHLGMPMXJX-SNVBAGLBSA-N 1 2 296.298 2.119 20 5 CEBDLO COC(=O)[C@@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000103481504 277347679 /nfs/dbraw/zinc/34/76/79/277347679.db2.gz DVYPGHLGMPMXJX-SNVBAGLBSA-N 1 2 296.298 2.119 20 5 CEBDLO C[C@@]1(F)CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000295434421 278125241 /nfs/dbraw/zinc/12/52/41/278125241.db2.gz OGFODDVOJXNBLA-CQSZACIVSA-N 1 2 295.314 2.018 20 5 CEBDLO C[C@@]1(F)CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000295434421 278125242 /nfs/dbraw/zinc/12/52/42/278125242.db2.gz OGFODDVOJXNBLA-CQSZACIVSA-N 1 2 295.314 2.018 20 5 CEBDLO CCOc1cccc(N2CCn3c[nH+]cc3C2)c1[N+](=O)[O-] ZINC000290741845 279973353 /nfs/dbraw/zinc/97/33/53/279973353.db2.gz RMOSGBILGJGRBU-UHFFFAOYSA-N 1 2 288.307 2.210 20 5 CEBDLO CC[C@H]1COCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000115574136 281208584 /nfs/dbraw/zinc/20/85/84/281208584.db2.gz ZOJJRVSYENVBGO-LBPRGKRZSA-N 1 2 280.324 2.214 20 5 CEBDLO CC[C@H]1COCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000115574136 281208585 /nfs/dbraw/zinc/20/85/85/281208585.db2.gz ZOJJRVSYENVBGO-LBPRGKRZSA-N 1 2 280.324 2.214 20 5 CEBDLO Cn1c[nH+]cc1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000439540312 281518487 /nfs/dbraw/zinc/51/84/87/281518487.db2.gz HKLMXZHGAMNKNG-UHFFFAOYSA-N 1 2 283.291 2.240 20 5 CEBDLO Cc1cn2c([nH+]1)[C@@H](CNc1ccc([N+](=O)[O-])nc1)CCC2 ZINC000443881222 281550957 /nfs/dbraw/zinc/55/09/57/281550957.db2.gz HIWLPWBQHCEIIE-LLVKDONJSA-N 1 2 287.323 2.484 20 5 CEBDLO CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000274833299 282028256 /nfs/dbraw/zinc/02/82/56/282028256.db2.gz SFHAVWSBMBFMPT-SECBINFHSA-N 1 2 295.339 2.406 20 5 CEBDLO CC1(CO)C[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000459620508 290197372 /nfs/dbraw/zinc/19/73/72/290197372.db2.gz MAZNEPPJLAUIRE-UHFFFAOYSA-N 1 2 270.716 2.062 20 5 CEBDLO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(C)c[nH+]1 ZINC000535036182 298181239 /nfs/dbraw/zinc/18/12/39/298181239.db2.gz PWGMMHYRSWMSDV-UHFFFAOYSA-N 1 2 271.276 2.281 20 5 CEBDLO COc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000051114788 524040386 /nfs/dbraw/zinc/04/03/86/524040386.db2.gz KKTLDQZEMVYCBN-PHIMTYICSA-N 1 2 280.324 2.213 20 5 CEBDLO COc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000051114788 524040391 /nfs/dbraw/zinc/04/03/91/524040391.db2.gz KKTLDQZEMVYCBN-PHIMTYICSA-N 1 2 280.324 2.213 20 5 CEBDLO C[C@@H]([NH2+][C@H](C(N)=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000056196740 525655578 /nfs/dbraw/zinc/65/55/78/525655578.db2.gz CVECQGWNEQLTKW-ABAIWWIYSA-N 1 2 299.330 2.472 20 5 CEBDLO CC[N@H+](CC(=O)N(C)C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746675015 575162640 /nfs/dbraw/zinc/16/26/40/575162640.db2.gz ZGKUUVZVSYQLHY-UHFFFAOYSA-N 1 2 299.758 2.158 20 5 CEBDLO CC[N@@H+](CC(=O)N(C)C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746675015 575162642 /nfs/dbraw/zinc/16/26/42/575162642.db2.gz ZGKUUVZVSYQLHY-UHFFFAOYSA-N 1 2 299.758 2.158 20 5 CEBDLO CC[C@H](C[NH+]1CCOCC1)Nc1cccc(F)c1[N+](=O)[O-] ZINC000895804004 630355486 /nfs/dbraw/zinc/35/54/86/630355486.db2.gz HGIOTXOLAQHVLU-LLVKDONJSA-N 1 2 297.330 2.257 20 5 CEBDLO CCn1c[nH+]c2c1CCN(c1nc(C)ccc1[N+](=O)[O-])C2 ZINC000896659424 630623636 /nfs/dbraw/zinc/62/36/36/630623636.db2.gz FBIGULFHMKOGBS-UHFFFAOYSA-N 1 2 287.323 2.077 20 5 CEBDLO Nc1ccc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)nn1 ZINC000904307903 635558973 /nfs/dbraw/zinc/55/89/73/635558973.db2.gz HGXOZLGTEJLAIO-UHFFFAOYSA-N 1 2 299.334 2.132 20 5 CEBDLO Nc1ccc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)nn1 ZINC000904307903 635558978 /nfs/dbraw/zinc/55/89/78/635558978.db2.gz HGXOZLGTEJLAIO-UHFFFAOYSA-N 1 2 299.334 2.132 20 5 CEBDLO CC(C)CCOC1CC[NH+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000193409241 640530750 /nfs/dbraw/zinc/53/07/50/640530750.db2.gz SKJWPTMGKZSTAD-UHFFFAOYSA-N 1 2 296.371 2.276 20 5 CEBDLO Cc1sc(C(=O)N[C@H]2CCn3c[nH+]cc32)cc1[N+](=O)[O-] ZINC000857988205 645038961 /nfs/dbraw/zinc/03/89/61/645038961.db2.gz COYPZPJZMWYZGA-QMMMGPOBSA-N 1 2 292.320 2.036 20 5 CEBDLO C[C@H]([NH2+][C@H]1CCCN(C)C1=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872040497 649251107 /nfs/dbraw/zinc/25/11/07/649251107.db2.gz LVEKGIFQWNJTGI-ONGXEEELSA-N 1 2 295.314 2.005 20 5 CEBDLO COc1ccc(C[C@H](C)[N@@H+]2CCO[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001170336340 812390929 /nfs/dbraw/zinc/39/09/29/812390929.db2.gz WQWDJQAGOVMUOU-RYUDHWBXSA-N 1 2 294.351 2.255 20 5 CEBDLO COc1ccc(C[C@H](C)[N@H+]2CCO[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001170336340 812390938 /nfs/dbraw/zinc/39/09/38/812390938.db2.gz WQWDJQAGOVMUOU-RYUDHWBXSA-N 1 2 294.351 2.255 20 5 CEBDLO COc1ccc(C[C@@H](C)[N@H+]2C[C@H]3C[C@@H](C2)O3)c([N+](=O)[O-])c1 ZINC001170353421 812392372 /nfs/dbraw/zinc/39/23/72/812392372.db2.gz XZQRHFZVRWQXKW-HONMWMINSA-N 1 2 292.335 2.008 20 5 CEBDLO COc1ccc(C[C@@H](C)[N@@H+]2C[C@H]3C[C@@H](C2)O3)c([N+](=O)[O-])c1 ZINC001170353421 812392379 /nfs/dbraw/zinc/39/23/79/812392379.db2.gz XZQRHFZVRWQXKW-HONMWMINSA-N 1 2 292.335 2.008 20 5 CEBDLO CCOC(=O)C(C)(C)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173218932 815624651 /nfs/dbraw/zinc/62/46/51/815624651.db2.gz UBBAGGXEUCYPGW-LLVKDONJSA-N 1 2 294.351 2.457 20 5 CEBDLO CCn1nccc1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000124773033 187153189 /nfs/dbraw/zinc/15/31/89/187153189.db2.gz KYQPGLUFBXZXKE-UHFFFAOYSA-N 1 2 286.335 2.370 20 5 CEBDLO CCn1nccc1C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000124773033 187153190 /nfs/dbraw/zinc/15/31/90/187153190.db2.gz KYQPGLUFBXZXKE-UHFFFAOYSA-N 1 2 286.335 2.370 20 5 CEBDLO C[C@@H]([NH2+][C@@H](C)c1nncn1C)c1ccc([N+](=O)[O-])cc1 ZINC000037016544 361884802 /nfs/dbraw/zinc/88/48/02/361884802.db2.gz LGFPCJWJXPEXEG-ZJUUUORDSA-N 1 2 275.312 2.135 20 5 CEBDLO C[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)c1ccccc1[N+](=O)[O-] ZINC000492863662 290666575 /nfs/dbraw/zinc/66/65/75/290666575.db2.gz MMBXZZXETREASL-GFVADAIESA-N 1 2 286.291 2.209 20 5 CEBDLO CC[C@H](C)NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599457 362184833 /nfs/dbraw/zinc/18/48/33/362184833.db2.gz ZWCSUDOUNBEGDV-RYUDHWBXSA-N 1 2 293.367 2.330 20 5 CEBDLO CC[C@H](C)NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599457 362184835 /nfs/dbraw/zinc/18/48/35/362184835.db2.gz ZWCSUDOUNBEGDV-RYUDHWBXSA-N 1 2 293.367 2.330 20 5 CEBDLO C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H](C)CO1 ZINC000045784942 343488258 /nfs/dbraw/zinc/48/82/58/343488258.db2.gz BOXVQDURJVUROZ-GHMZBOCLSA-N 1 2 250.298 2.204 20 5 CEBDLO C[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H](C)CO1 ZINC000045784942 343488259 /nfs/dbraw/zinc/48/82/59/343488259.db2.gz BOXVQDURJVUROZ-GHMZBOCLSA-N 1 2 250.298 2.204 20 5 CEBDLO CN1CCCC[C@H]([N@H+](C)Cc2csc([N+](=O)[O-])c2)C1=O ZINC000601971984 346946874 /nfs/dbraw/zinc/94/68/74/346946874.db2.gz YAXBJODVMCKWGB-NSHDSACASA-N 1 2 297.380 2.099 20 5 CEBDLO CN1CCCC[C@H]([N@@H+](C)Cc2csc([N+](=O)[O-])c2)C1=O ZINC000601971984 346946878 /nfs/dbraw/zinc/94/68/78/346946878.db2.gz YAXBJODVMCKWGB-NSHDSACASA-N 1 2 297.380 2.099 20 5 CEBDLO CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])c2C1 ZINC000066514356 343716123 /nfs/dbraw/zinc/71/61/23/343716123.db2.gz NLUNETLBAZPZRD-RISCZKNCSA-N 1 2 289.335 2.016 20 5 CEBDLO CCC[N@H+]1Cc2cccc(NC(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])c2C1 ZINC000066514356 343716126 /nfs/dbraw/zinc/71/61/26/343716126.db2.gz NLUNETLBAZPZRD-RISCZKNCSA-N 1 2 289.335 2.016 20 5 CEBDLO C[NH+]1CCN(CCCCNc2ccccc2[N+](=O)[O-])CC1 ZINC000075669927 343861728 /nfs/dbraw/zinc/86/17/28/343861728.db2.gz AVYXHNLXKUGJQQ-UHFFFAOYSA-N 1 2 292.383 2.034 20 5 CEBDLO CN(C)c1[nH+]cccc1CNc1ccc([N+](=O)[O-])nc1 ZINC000076721399 343896371 /nfs/dbraw/zinc/89/63/71/343896371.db2.gz NFBIJZWZTWLIRD-UHFFFAOYSA-N 1 2 273.296 2.063 20 5 CEBDLO C[C@@H]1C[NH+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1C ZINC000093503309 344226087 /nfs/dbraw/zinc/22/60/87/344226087.db2.gz NZWUTQVZVJSDAP-NXEZZACHSA-N 1 2 250.298 2.388 20 5 CEBDLO Cc1cc(NCc2c[nH+]cn2C)c(F)cc1[N+](=O)[O-] ZINC000292361633 344687424 /nfs/dbraw/zinc/68/74/24/344687424.db2.gz CTKFBKAGVITGHN-UHFFFAOYSA-N 1 2 264.260 2.388 20 5 CEBDLO COC[C@H]1CCCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000449760935 282358263 /nfs/dbraw/zinc/35/82/63/282358263.db2.gz SMVIMHZXAVHPDR-GFCCVEGCSA-N 1 2 280.324 2.301 20 5 CEBDLO COC[C@H]1CCCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000449760935 282358264 /nfs/dbraw/zinc/35/82/64/282358264.db2.gz SMVIMHZXAVHPDR-GFCCVEGCSA-N 1 2 280.324 2.301 20 5 CEBDLO O=[N+]([O-])c1ccccc1C[NH2+]Cc1cc2n(n1)CCCC2 ZINC000594495959 345638473 /nfs/dbraw/zinc/63/84/73/345638473.db2.gz VHGNCOLPZWVLNW-UHFFFAOYSA-N 1 2 286.335 2.417 20 5 CEBDLO Cc1c(C[N@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])cnn1C ZINC000595470007 345790441 /nfs/dbraw/zinc/79/04/41/345790441.db2.gz YSKNLFCXAKODDD-UHFFFAOYSA-N 1 2 292.314 2.408 20 5 CEBDLO Cc1c(C[N@@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])cnn1C ZINC000595470007 345790442 /nfs/dbraw/zinc/79/04/42/345790442.db2.gz YSKNLFCXAKODDD-UHFFFAOYSA-N 1 2 292.314 2.408 20 5 CEBDLO Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2N)cc[nH+]1 ZINC000157338801 232238977 /nfs/dbraw/zinc/23/89/77/232238977.db2.gz HDBXZUSYJHABMV-UHFFFAOYSA-N 1 2 272.264 2.133 20 5 CEBDLO Cc1cc(N(C)Cc2[nH+]ccn2C)c([N+](=O)[O-])s1 ZINC000596060758 345930521 /nfs/dbraw/zinc/93/05/21/345930521.db2.gz GMTJPZBDDDDOQH-UHFFFAOYSA-N 1 2 266.326 2.335 20 5 CEBDLO Cc1cc(NC(=O)Cc2cccc([N+](=O)[O-])c2)cc[nH+]1 ZINC000173688651 232281807 /nfs/dbraw/zinc/28/18/07/232281807.db2.gz UEGIYUAYUITTMJ-UHFFFAOYSA-N 1 2 271.276 2.479 20 5 CEBDLO C[C@H]1C[C@@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])c2[nH+]ccn21 ZINC000596257862 345982860 /nfs/dbraw/zinc/98/28/60/345982860.db2.gz RZUICHLWOXJKHX-IONNQARKSA-N 1 2 275.268 2.010 20 5 CEBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCCOCC2)ccc1Cl ZINC000061918249 362698520 /nfs/dbraw/zinc/69/85/20/362698520.db2.gz XPQYSNSFYPAVIO-UHFFFAOYSA-N 1 2 270.716 2.471 20 5 CEBDLO O=[N+]([O-])c1cc(C[N@H+]2CCCOCC2)ccc1Cl ZINC000061918249 362698525 /nfs/dbraw/zinc/69/85/25/362698525.db2.gz XPQYSNSFYPAVIO-UHFFFAOYSA-N 1 2 270.716 2.471 20 5 CEBDLO Cn1cc(C[N@@H+]2CCc3cc(F)ccc3C2)c([N+](=O)[O-])n1 ZINC000602590463 347090984 /nfs/dbraw/zinc/09/09/84/347090984.db2.gz IGNQIYVOIMRDQE-UHFFFAOYSA-N 1 2 290.298 2.026 20 5 CEBDLO Cn1cc(C[N@H+]2CCc3cc(F)ccc3C2)c([N+](=O)[O-])n1 ZINC000602590463 347090987 /nfs/dbraw/zinc/09/09/87/347090987.db2.gz IGNQIYVOIMRDQE-UHFFFAOYSA-N 1 2 290.298 2.026 20 5 CEBDLO C[C@@H](O)CCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599042699 346451270 /nfs/dbraw/zinc/45/12/70/346451270.db2.gz FBTMQMXVNGMEJT-SECBINFHSA-N 1 2 261.281 2.326 20 5 CEBDLO CCOC[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2C)CCO1 ZINC000599616585 346546247 /nfs/dbraw/zinc/54/62/47/346546247.db2.gz DJEQZRSFTOHJGO-AWEZNQCLSA-N 1 2 294.351 2.141 20 5 CEBDLO CCOC[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)CCO1 ZINC000599616585 346546250 /nfs/dbraw/zinc/54/62/50/346546250.db2.gz DJEQZRSFTOHJGO-AWEZNQCLSA-N 1 2 294.351 2.141 20 5 CEBDLO CCOC[C@H]1C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CCO1 ZINC000600201315 346621394 /nfs/dbraw/zinc/62/13/94/346621394.db2.gz HDVZOZOMDJQXPO-CQSZACIVSA-N 1 2 294.351 2.141 20 5 CEBDLO CCOC[C@H]1C[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CCO1 ZINC000600201315 346621395 /nfs/dbraw/zinc/62/13/95/346621395.db2.gz HDVZOZOMDJQXPO-CQSZACIVSA-N 1 2 294.351 2.141 20 5 CEBDLO COCCN(C)c1ccc(-c2ccc([N+](=O)[O-])nc2)c[nH+]1 ZINC000600788705 346690861 /nfs/dbraw/zinc/69/08/61/346690861.db2.gz MMXVXIDMFOVEOD-UHFFFAOYSA-N 1 2 288.307 2.134 20 5 CEBDLO C[C@](CO)([NH2+]Cc1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000601149880 346769825 /nfs/dbraw/zinc/76/98/25/346769825.db2.gz RGBLLNMBVFQGIB-CYBMUJFWSA-N 1 2 293.348 2.049 20 5 CEBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CC(C)(O)C1 ZINC000602687716 347146927 /nfs/dbraw/zinc/14/69/27/347146927.db2.gz AIWYNYWIPHOLAA-WDZFZDKYSA-N 1 2 262.309 2.065 20 5 CEBDLO CN(CCc1ccccc1[N+](=O)[O-])c1cc(CO)cc[nH+]1 ZINC000603374664 347352321 /nfs/dbraw/zinc/35/23/21/347352321.db2.gz LGBLLHYDRBVFKO-UHFFFAOYSA-N 1 2 287.319 2.161 20 5 CEBDLO C[C@H]1CCN(c2cccnc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000610726489 347707095 /nfs/dbraw/zinc/70/70/95/347707095.db2.gz XTDHZXXQLZMIFW-AAEUAGOBSA-N 1 2 287.323 2.274 20 5 CEBDLO COCC(COC)Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413314238 233559817 /nfs/dbraw/zinc/55/98/17/233559817.db2.gz IXXTUMGXKLKFBS-UHFFFAOYSA-N 1 2 291.307 2.216 20 5 CEBDLO CN(Cc1csc([N+](=O)[O-])c1)Cc1[nH+]ccn1C ZINC000153312007 188076206 /nfs/dbraw/zinc/07/62/06/188076206.db2.gz LTVUNTPJGMFXKY-UHFFFAOYSA-N 1 2 266.326 2.022 20 5 CEBDLO CC[C@@H]1C[N@H+](CCNc2cccc(C)c2[N+](=O)[O-])CCO1 ZINC000338706196 366481761 /nfs/dbraw/zinc/48/17/61/366481761.db2.gz HRZULYOPIFRKKS-CYBMUJFWSA-N 1 2 293.367 2.426 20 5 CEBDLO CC[C@@H]1C[N@@H+](CCNc2cccc(C)c2[N+](=O)[O-])CCO1 ZINC000338706196 366481765 /nfs/dbraw/zinc/48/17/65/366481765.db2.gz HRZULYOPIFRKKS-CYBMUJFWSA-N 1 2 293.367 2.426 20 5 CEBDLO CC[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCCO1 ZINC000339155979 366681059 /nfs/dbraw/zinc/68/10/59/366681059.db2.gz DZKTVCXEAPBPDT-CYBMUJFWSA-N 1 2 280.324 2.301 20 5 CEBDLO CC[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCCO1 ZINC000339155979 366681062 /nfs/dbraw/zinc/68/10/62/366681062.db2.gz DZKTVCXEAPBPDT-CYBMUJFWSA-N 1 2 280.324 2.301 20 5 CEBDLO CC(C)N1CC[C@H]([N@H+](C)Cc2ccccc2[N+](=O)[O-])C1=O ZINC000177650752 189061716 /nfs/dbraw/zinc/06/17/16/189061716.db2.gz SLIMWGNLLWXSJH-AWEZNQCLSA-N 1 2 291.351 2.036 20 5 CEBDLO CC(C)N1CC[C@H]([N@@H+](C)Cc2ccccc2[N+](=O)[O-])C1=O ZINC000177650752 189061717 /nfs/dbraw/zinc/06/17/17/189061717.db2.gz SLIMWGNLLWXSJH-AWEZNQCLSA-N 1 2 291.351 2.036 20 5 CEBDLO O=[N+]([O-])c1cccc(F)c1NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000342224582 216269447 /nfs/dbraw/zinc/26/94/47/216269447.db2.gz ICELFHXJWLCKRN-LLVKDONJSA-N 1 2 295.314 2.009 20 5 CEBDLO O=[N+]([O-])c1cccc(F)c1NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000342224582 216269449 /nfs/dbraw/zinc/26/94/49/216269449.db2.gz ICELFHXJWLCKRN-LLVKDONJSA-N 1 2 295.314 2.009 20 5 CEBDLO Nc1ncccc1C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000579918187 366721591 /nfs/dbraw/zinc/72/15/91/366721591.db2.gz LZASIYJKQFGRKH-UHFFFAOYSA-N 1 2 284.319 2.130 20 5 CEBDLO Nc1ncccc1C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000579918187 366721595 /nfs/dbraw/zinc/72/15/95/366721595.db2.gz LZASIYJKQFGRKH-UHFFFAOYSA-N 1 2 284.319 2.130 20 5 CEBDLO Cc1c[nH+]ccc1CCNc1ncccc1[N+](=O)[O-] ZINC000301880826 201246130 /nfs/dbraw/zinc/24/61/30/201246130.db2.gz ZUWWXSRBYFEWBT-UHFFFAOYSA-N 1 2 258.281 2.348 20 5 CEBDLO O=[N+]([O-])c1ccc(NCc2cccnc2-n2cc[nH+]c2)nc1 ZINC000030587495 361700220 /nfs/dbraw/zinc/70/02/20/361700220.db2.gz QIVZTKIJBWNMGN-UHFFFAOYSA-N 1 2 296.290 2.183 20 5 CEBDLO Cc1cccc(CCCNc2ccncc2[N+](=O)[O-])[nH+]1 ZINC000343232179 367716592 /nfs/dbraw/zinc/71/65/92/367716592.db2.gz CGHDZYZFEZPZQI-UHFFFAOYSA-N 1 2 272.308 2.160 20 5 CEBDLO CC[C@H]([NH2+]Cc1nnc(C)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000358047807 370883812 /nfs/dbraw/zinc/88/38/12/370883812.db2.gz OFLABRHFZKRAKY-LBPRGKRZSA-N 1 2 275.312 2.262 20 5 CEBDLO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])s2)C[C@H]1C ZINC000345901037 368476181 /nfs/dbraw/zinc/47/61/81/368476181.db2.gz HMRCOMHZLAJIQG-NXEZZACHSA-N 1 2 297.380 2.211 20 5 CEBDLO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])s2)C[C@H]1C ZINC000345901037 368476185 /nfs/dbraw/zinc/47/61/85/368476185.db2.gz HMRCOMHZLAJIQG-NXEZZACHSA-N 1 2 297.380 2.211 20 5 CEBDLO Cc1ccc(Cn2cc([N+](=O)[O-])c(C)cc2=O)c(C)[nH+]1 ZINC000186631609 369010881 /nfs/dbraw/zinc/01/08/81/369010881.db2.gz PGOIJMWRYDKKJP-UHFFFAOYSA-N 1 2 273.292 2.125 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCCN(C)C(=O)C1 ZINC000191100251 369677354 /nfs/dbraw/zinc/67/73/54/369677354.db2.gz GFEYBRWCDLHXLZ-LBPRGKRZSA-N 1 2 291.351 2.128 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCCN(C)C(=O)C1 ZINC000191100251 369677356 /nfs/dbraw/zinc/67/73/56/369677356.db2.gz GFEYBRWCDLHXLZ-LBPRGKRZSA-N 1 2 291.351 2.128 20 5 CEBDLO Cn1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000213123043 370167975 /nfs/dbraw/zinc/16/79/75/370167975.db2.gz UNTSVXBHHUWLAJ-UHFFFAOYSA-N 1 2 280.715 2.272 20 5 CEBDLO O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1ccc2c[nH+]cn2c1 ZINC000354621259 370438085 /nfs/dbraw/zinc/43/80/85/370438085.db2.gz YHMNLVIXRRNYBF-UHFFFAOYSA-N 1 2 298.258 2.200 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000248131454 371163204 /nfs/dbraw/zinc/16/32/04/371163204.db2.gz LAQGCTKKEJEHSF-GHMZBOCLSA-N 1 2 280.324 2.213 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000248131454 371163207 /nfs/dbraw/zinc/16/32/07/371163207.db2.gz LAQGCTKKEJEHSF-GHMZBOCLSA-N 1 2 280.324 2.213 20 5 CEBDLO O=[N+]([O-])c1cnccc1N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000360994962 371586899 /nfs/dbraw/zinc/58/68/99/371586899.db2.gz LQMARNHECWOLFN-UHFFFAOYSA-N 1 2 273.296 2.097 20 5 CEBDLO O=[N+]([O-])c1cnccc1N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000360994962 371586907 /nfs/dbraw/zinc/58/69/07/371586907.db2.gz LQMARNHECWOLFN-UHFFFAOYSA-N 1 2 273.296 2.097 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1N(C)Cc1[nH+]ccn1C ZINC000270916337 373014842 /nfs/dbraw/zinc/01/48/42/373014842.db2.gz IIBPLRNWMLUSCD-UHFFFAOYSA-N 1 2 260.297 2.273 20 5 CEBDLO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccc(F)cn1 ZINC000344918095 217355084 /nfs/dbraw/zinc/35/50/84/217355084.db2.gz LOJBDKXTDARMDW-UHFFFAOYSA-N 1 2 261.256 2.419 20 5 CEBDLO CCc1nnc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])[nH]1 ZINC000274571622 373965741 /nfs/dbraw/zinc/96/57/41/373965741.db2.gz FQAOZEUTEZVKNE-SECBINFHSA-N 1 2 275.312 2.126 20 5 CEBDLO C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000387700061 375278885 /nfs/dbraw/zinc/27/88/85/375278885.db2.gz WZYQUAOGYXOVSX-LLVKDONJSA-N 1 2 295.339 2.263 20 5 CEBDLO CC(C)C[C@@H]([NH3+])c1noc(-c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000414626526 375885209 /nfs/dbraw/zinc/88/52/09/375885209.db2.gz YGFPLTYJKZDSJS-SECBINFHSA-N 1 2 292.295 2.396 20 5 CEBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@@](F)(CO)C1 ZINC000289884504 376543304 /nfs/dbraw/zinc/54/33/04/376543304.db2.gz SHKILVSDUFPBRP-VFQAQYNWSA-N 1 2 294.326 2.404 20 5 CEBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000289884504 376543309 /nfs/dbraw/zinc/54/33/09/376543309.db2.gz SHKILVSDUFPBRP-VFQAQYNWSA-N 1 2 294.326 2.404 20 5 CEBDLO Cc1cccc(NCC[N@@H+]2CCO[C@H](C)C2)c1[N+](=O)[O-] ZINC000558904498 376649638 /nfs/dbraw/zinc/64/96/38/376649638.db2.gz YVTYSJDUDLSVMS-GFCCVEGCSA-N 1 2 279.340 2.036 20 5 CEBDLO Cc1cccc(NCC[N@H+]2CCO[C@H](C)C2)c1[N+](=O)[O-] ZINC000558904498 376649645 /nfs/dbraw/zinc/64/96/45/376649645.db2.gz YVTYSJDUDLSVMS-GFCCVEGCSA-N 1 2 279.340 2.036 20 5 CEBDLO C[C@@H]1CSCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330413014 377121295 /nfs/dbraw/zinc/12/12/95/377121295.db2.gz BMQIZPMUCGWWJQ-SECBINFHSA-N 1 2 268.338 2.238 20 5 CEBDLO C[C@@H]1CSCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330413014 377121305 /nfs/dbraw/zinc/12/13/05/377121305.db2.gz BMQIZPMUCGWWJQ-SECBINFHSA-N 1 2 268.338 2.238 20 5 CEBDLO NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000330365667 377099792 /nfs/dbraw/zinc/09/97/92/377099792.db2.gz PDTDVSCXXVCDKE-LLVKDONJSA-N 1 2 267.260 2.234 20 5 CEBDLO NC(=O)[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000330365667 377099801 /nfs/dbraw/zinc/09/98/01/377099801.db2.gz PDTDVSCXXVCDKE-LLVKDONJSA-N 1 2 267.260 2.234 20 5 CEBDLO CC[C@]1(CO)CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000330456545 377141620 /nfs/dbraw/zinc/14/16/20/377141620.db2.gz PPSIZLUMBOWERJ-HNNXBMFYSA-N 1 2 294.351 2.285 20 5 CEBDLO CC[C@]1(CO)CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000330456545 377141631 /nfs/dbraw/zinc/14/16/31/377141631.db2.gz PPSIZLUMBOWERJ-HNNXBMFYSA-N 1 2 294.351 2.285 20 5 CEBDLO CCn1cc[nH+]c1CNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000295519969 378193995 /nfs/dbraw/zinc/19/39/95/378193995.db2.gz ARSVQLGSBDFLHP-UHFFFAOYSA-N 1 2 288.307 2.050 20 5 CEBDLO CCn1nc(C)c([N+](=O)[O-])c1NCCc1[nH+]cccc1C ZINC000295864114 378334876 /nfs/dbraw/zinc/33/48/76/378334876.db2.gz YLKXFKHAOSQFMM-UHFFFAOYSA-N 1 2 289.339 2.478 20 5 CEBDLO CCn1cc[nH+]c1[C@@H](C)Nc1ncc([N+](=O)[O-])c(C)n1 ZINC000450821861 378595421 /nfs/dbraw/zinc/59/54/21/378595421.db2.gz ARRMFJCMHMMEIB-SECBINFHSA-N 1 2 276.300 2.083 20 5 CEBDLO CC[C@@H](C)[N@H+](CC(=O)OC)Cc1ccc([N+](=O)[O-])cc1 ZINC000281133598 195116214 /nfs/dbraw/zinc/11/62/14/195116214.db2.gz DESYBUWKXKTZKB-LLVKDONJSA-N 1 2 280.324 2.368 20 5 CEBDLO CC[C@@H](C)[N@@H+](CC(=O)OC)Cc1ccc([N+](=O)[O-])cc1 ZINC000281133598 195116217 /nfs/dbraw/zinc/11/62/17/195116217.db2.gz DESYBUWKXKTZKB-LLVKDONJSA-N 1 2 280.324 2.368 20 5 CEBDLO Cc1[nH]ncc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000289358561 197311224 /nfs/dbraw/zinc/31/12/24/197311224.db2.gz KBRYMTCEPHFNAK-UHFFFAOYSA-N 1 2 274.324 2.301 20 5 CEBDLO Cc1[nH]ncc1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000289358561 197311225 /nfs/dbraw/zinc/31/12/25/197311225.db2.gz KBRYMTCEPHFNAK-UHFFFAOYSA-N 1 2 274.324 2.301 20 5 CEBDLO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1nccn1C ZINC000070445392 394586717 /nfs/dbraw/zinc/58/67/17/394586717.db2.gz ZLMCTSKWHYPQNJ-JTQLQIEISA-N 1 2 260.297 2.179 20 5 CEBDLO COCc1cc([N+](=O)[O-])ccc1NCCc1cn(C)c[nH+]1 ZINC000413387122 394541221 /nfs/dbraw/zinc/54/12/21/394541221.db2.gz WHRMJLBXXSPPST-UHFFFAOYSA-N 1 2 290.323 2.129 20 5 CEBDLO CCn1cc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000072989110 394602610 /nfs/dbraw/zinc/60/26/10/394602610.db2.gz KQFGDHLQPXTMMU-UHFFFAOYSA-N 1 2 274.324 2.443 20 5 CEBDLO CCn1cc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000072989110 394602613 /nfs/dbraw/zinc/60/26/13/394602613.db2.gz KQFGDHLQPXTMMU-UHFFFAOYSA-N 1 2 274.324 2.443 20 5 CEBDLO Cc1ncsc1C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000331934469 394634215 /nfs/dbraw/zinc/63/42/15/394634215.db2.gz GQNIHSTUPTXNAV-UHFFFAOYSA-N 1 2 290.348 2.313 20 5 CEBDLO Cc1ncsc1C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000331934469 394634216 /nfs/dbraw/zinc/63/42/16/394634216.db2.gz GQNIHSTUPTXNAV-UHFFFAOYSA-N 1 2 290.348 2.313 20 5 CEBDLO C[C@@H]1CC[C@@H](C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)O1 ZINC000352704771 395266682 /nfs/dbraw/zinc/26/66/82/395266682.db2.gz GZGMQMOKJOXANW-RISCZKNCSA-N 1 2 292.335 2.357 20 5 CEBDLO C[C@@H]1CC[C@@H](C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)O1 ZINC000352704771 395266690 /nfs/dbraw/zinc/26/66/90/395266690.db2.gz GZGMQMOKJOXANW-RISCZKNCSA-N 1 2 292.335 2.357 20 5 CEBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCCC1 ZINC000448557998 395516444 /nfs/dbraw/zinc/51/64/44/395516444.db2.gz SVSDAUSDGPWEQL-UHFFFAOYSA-N 1 2 286.291 2.017 20 5 CEBDLO C[C@@H]([NH2+]Cc1ncnn1CCF)c1cccc([N+](=O)[O-])c1 ZINC000281653473 400319020 /nfs/dbraw/zinc/31/90/20/400319020.db2.gz NTZIRZDQRUPGJU-SNVBAGLBSA-N 1 2 293.302 2.007 20 5 CEBDLO COc1cc(C[N@@H+]2C[C@H](C)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000351978570 286220845 /nfs/dbraw/zinc/22/08/45/286220845.db2.gz WDIRBDYUVCDLIC-MNOVXSKESA-N 1 2 280.324 2.213 20 5 CEBDLO COc1cc(C[N@H+]2C[C@H](C)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000351978570 286220846 /nfs/dbraw/zinc/22/08/46/286220846.db2.gz WDIRBDYUVCDLIC-MNOVXSKESA-N 1 2 280.324 2.213 20 5 CEBDLO COc1cc(CNc2cc[nH+]cc2F)cc([N+](=O)[O-])c1O ZINC000192150746 153202591 /nfs/dbraw/zinc/20/25/91/153202591.db2.gz IWMVCJPAUBIMMP-UHFFFAOYSA-N 1 2 293.254 2.455 20 5 CEBDLO CC[C@H](Nc1ncc([N+](=O)[O-])s1)c1[nH]cc[nH+]1 ZINC000226777049 153337716 /nfs/dbraw/zinc/33/77/16/153337716.db2.gz RAWKXPWGPZYGRC-LURJTMIESA-N 1 2 253.287 2.338 20 5 CEBDLO Cc1cc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc[nH+]1 ZINC000352025314 154320701 /nfs/dbraw/zinc/32/07/01/154320701.db2.gz FGGSZDREFCMWDQ-UHFFFAOYSA-N 1 2 296.286 2.454 20 5 CEBDLO Cc1c(C[N@@H+]2CC[C@H]3CCOC(=O)[C@H]32)cccc1[N+](=O)[O-] ZINC000368581283 156370941 /nfs/dbraw/zinc/37/09/41/156370941.db2.gz QSXXKJVUEXMGEH-FZMZJTMJSA-N 1 2 290.319 2.041 20 5 CEBDLO Cc1c(C[N@H+]2CC[C@H]3CCOC(=O)[C@H]32)cccc1[N+](=O)[O-] ZINC000368581283 156370944 /nfs/dbraw/zinc/37/09/44/156370944.db2.gz QSXXKJVUEXMGEH-FZMZJTMJSA-N 1 2 290.319 2.041 20 5 CEBDLO Cc1c[nH+]ccc1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173604677 165078625 /nfs/dbraw/zinc/07/86/25/165078625.db2.gz RORWZIZXVRAUKJ-UHFFFAOYSA-N 1 2 271.276 2.479 20 5 CEBDLO C[C@@H]1COC[C@H](C)[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000077369258 177259106 /nfs/dbraw/zinc/25/91/06/177259106.db2.gz DOYDDJXPQVINEC-TXEJJXNPSA-N 1 2 280.324 2.083 20 5 CEBDLO C[C@@H]1COC[C@H](C)[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000077369258 177259108 /nfs/dbraw/zinc/25/91/08/177259108.db2.gz DOYDDJXPQVINEC-TXEJJXNPSA-N 1 2 280.324 2.083 20 5 CEBDLO Cc1nnc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000392369967 270340237 /nfs/dbraw/zinc/34/02/37/270340237.db2.gz KMLODGDDOKIBSU-IUCAKERBSA-N 1 2 275.312 2.433 20 5 CEBDLO Cc1nnc([C@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])[nH]1 ZINC000392378306 270340750 /nfs/dbraw/zinc/34/07/50/270340750.db2.gz QDOLVGFPVGMTBU-IUCAKERBSA-N 1 2 275.312 2.433 20 5 CEBDLO Cc1nnc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000392369965 270340803 /nfs/dbraw/zinc/34/08/03/270340803.db2.gz KMLODGDDOKIBSU-BDAKNGLRSA-N 1 2 275.312 2.433 20 5 CEBDLO COCCCC[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000418128953 277203970 /nfs/dbraw/zinc/20/39/70/277203970.db2.gz CQXBIMYCCNXWIH-UHFFFAOYSA-N 1 2 268.313 2.159 20 5 CEBDLO COCCCC[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000418128953 277203972 /nfs/dbraw/zinc/20/39/72/277203972.db2.gz CQXBIMYCCNXWIH-UHFFFAOYSA-N 1 2 268.313 2.159 20 5 CEBDLO CC1(C)C[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1O ZINC000285187484 278336552 /nfs/dbraw/zinc/33/65/52/278336552.db2.gz DPXCWMWNHDRXHL-LBPRGKRZSA-N 1 2 286.278 2.076 20 5 CEBDLO CC1(C)C[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1O ZINC000285187484 278336554 /nfs/dbraw/zinc/33/65/54/278336554.db2.gz DPXCWMWNHDRXHL-LBPRGKRZSA-N 1 2 286.278 2.076 20 5 CEBDLO Cc1nc(N2CCCC[C@H]2c2[nH]cc[nH+]2)ncc1[N+](=O)[O-] ZINC000297333242 279089838 /nfs/dbraw/zinc/08/98/38/279089838.db2.gz AJZWCDYKOAUYAJ-JTQLQIEISA-N 1 2 288.311 2.148 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1N1CCn2c[nH+]cc2C1 ZINC000290800391 280661949 /nfs/dbraw/zinc/66/19/49/280661949.db2.gz YNVHCIMPTCFXCN-UHFFFAOYSA-N 1 2 258.281 2.120 20 5 CEBDLO COc1ccnc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000424147162 281122307 /nfs/dbraw/zinc/12/23/07/281122307.db2.gz XUXMLLBZXQSJPY-SNVBAGLBSA-N 1 2 288.307 2.244 20 5 CEBDLO CCn1cnnc1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000158416353 289233733 /nfs/dbraw/zinc/23/37/33/289233733.db2.gz OSVXPDFQRXROTR-NSHDSACASA-N 1 2 289.339 2.365 20 5 CEBDLO C[C@@H]1C[NH+](CCSc2ncccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000516785736 297604136 /nfs/dbraw/zinc/60/41/36/297604136.db2.gz UOYKUMSLTUCJGG-GHMZBOCLSA-N 1 2 297.380 2.191 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(N2CC(n3cc[nH+]c3)C2)c1 ZINC000531831811 298122443 /nfs/dbraw/zinc/12/24/43/298122443.db2.gz NBNNSPWVRIJSRR-UHFFFAOYSA-N 1 2 258.281 2.161 20 5 CEBDLO Cc1ncc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cn1 ZINC000539827250 298257289 /nfs/dbraw/zinc/25/72/89/298257289.db2.gz KWDIFHTYZWMIOY-UHFFFAOYSA-N 1 2 284.319 2.252 20 5 CEBDLO Cc1ncc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cn1 ZINC000539827250 298257292 /nfs/dbraw/zinc/25/72/92/298257292.db2.gz KWDIFHTYZWMIOY-UHFFFAOYSA-N 1 2 284.319 2.252 20 5 CEBDLO Cc1[nH+]c2cc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)ccc2n1C ZINC000525217286 313146489 /nfs/dbraw/zinc/14/64/89/313146489.db2.gz SYOOWXRYGCNRLX-UHFFFAOYSA-N 1 2 299.290 2.370 20 5 CEBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)Cn1cc[nH+]c1 ZINC000573707151 314172235 /nfs/dbraw/zinc/17/22/35/314172235.db2.gz DGDAUEBTJBNOTB-UHFFFAOYSA-N 1 2 274.280 2.047 20 5 CEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC[C@H](O)CC3)c2c1 ZINC000576565358 314288145 /nfs/dbraw/zinc/28/81/45/314288145.db2.gz PVWOFNMUYMIOBR-ZDUSSCGKSA-N 1 2 287.319 2.494 20 5 CEBDLO Cc1c(Cc2noc(Cn3cc[nH+]c3)n2)cccc1[N+](=O)[O-] ZINC000562283161 327463251 /nfs/dbraw/zinc/46/32/51/327463251.db2.gz DOBJHPUOWOFJRI-UHFFFAOYSA-N 1 2 299.290 2.122 20 5 CEBDLO C[N@@H+]1CCCC[C@H]1C(=O)OCc1ccccc1[N+](=O)[O-] ZINC000741146982 574977344 /nfs/dbraw/zinc/97/73/44/574977344.db2.gz RUYBFHUHODAZMK-ZDUSSCGKSA-N 1 2 278.308 2.122 20 5 CEBDLO C[N@H+]1CCCC[C@H]1C(=O)OCc1ccccc1[N+](=O)[O-] ZINC000741146982 574977346 /nfs/dbraw/zinc/97/73/46/574977346.db2.gz RUYBFHUHODAZMK-ZDUSSCGKSA-N 1 2 278.308 2.122 20 5 CEBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)c1 ZINC000782616073 627293985 /nfs/dbraw/zinc/29/39/85/627293985.db2.gz LTLYQFJYXBASKX-MFKMUULPSA-N 1 2 282.727 2.062 20 5 CEBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)c1 ZINC000782616073 627293987 /nfs/dbraw/zinc/29/39/87/627293987.db2.gz LTLYQFJYXBASKX-MFKMUULPSA-N 1 2 282.727 2.062 20 5 CEBDLO CCn1c[nH+]c2c1CCN(c1sccc1[N+](=O)[O-])C2 ZINC000896660818 630624233 /nfs/dbraw/zinc/62/42/33/630624233.db2.gz VAQUJGUASIXGHF-UHFFFAOYSA-N 1 2 278.337 2.435 20 5 CEBDLO Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000798262916 630848545 /nfs/dbraw/zinc/84/85/45/630848545.db2.gz QBXMZERVBURZMS-UHFFFAOYSA-N 1 2 297.274 2.077 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000898183873 632098734 /nfs/dbraw/zinc/09/87/34/632098734.db2.gz OYAPOAGVTBPWJJ-JSGCOSHPSA-N 1 2 282.315 2.116 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000898183873 632098741 /nfs/dbraw/zinc/09/87/41/632098741.db2.gz OYAPOAGVTBPWJJ-JSGCOSHPSA-N 1 2 282.315 2.116 20 5 CEBDLO O=[N+]([O-])c1ccc(CN2CCn3c[nH+]cc3C2)cc1Cl ZINC000811515511 632394689 /nfs/dbraw/zinc/39/46/89/632394689.db2.gz WSTDZZZZOVQLMR-UHFFFAOYSA-N 1 2 292.726 2.461 20 5 CEBDLO COc1cc(F)c([N+](=O)[O-])c(NCCc2cn(C)c[nH+]2)c1 ZINC000840326929 632916705 /nfs/dbraw/zinc/91/67/05/632916705.db2.gz KWSMOJRHMSCDQF-UHFFFAOYSA-N 1 2 294.286 2.131 20 5 CEBDLO O=[N+]([O-])c1ccc(C[NH+]2CC3(C2)CCOC3)cc1Cl ZINC000816670176 633461054 /nfs/dbraw/zinc/46/10/54/633461054.db2.gz NUCZTGIJUZBEPK-UHFFFAOYSA-N 1 2 282.727 2.471 20 5 CEBDLO CCn1nc(C)c(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000818116711 633872621 /nfs/dbraw/zinc/87/26/21/633872621.db2.gz OXHPKPGUSIJRNI-SNVBAGLBSA-N 1 2 289.339 2.365 20 5 CEBDLO CCn1nc(C)c(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)n1 ZINC000824282233 635396073 /nfs/dbraw/zinc/39/60/73/635396073.db2.gz SATJYWZONDIKCG-UHFFFAOYSA-N 1 2 289.339 2.113 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCO[C@H](C)C1 ZINC000876558439 650326320 /nfs/dbraw/zinc/32/63/20/650326320.db2.gz RCXRMYXJJSCAIY-LLVKDONJSA-N 1 2 264.325 2.432 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCO[C@H](C)C1 ZINC000876558439 650326326 /nfs/dbraw/zinc/32/63/26/650326326.db2.gz RCXRMYXJJSCAIY-LLVKDONJSA-N 1 2 264.325 2.432 20 5 CEBDLO CCCn1cc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)nn1 ZINC000922540884 643116162 /nfs/dbraw/zinc/11/61/62/643116162.db2.gz MRFNBJUUBBZQEB-LLVKDONJSA-N 1 2 289.339 2.447 20 5 CEBDLO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCCn1cc[nH+]c1 ZINC000763114264 645506415 /nfs/dbraw/zinc/50/64/15/645506415.db2.gz GQGBFXPKISKSKO-ZZXKWVIFSA-N 1 2 287.275 2.048 20 5 CEBDLO O=C(OCCn1cc[nH+]c1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000771957809 646576597 /nfs/dbraw/zinc/57/65/97/646576597.db2.gz LKKXYRJIVXANNX-UHFFFAOYSA-N 1 2 295.682 2.302 20 5 CEBDLO C[C@@H]1CCOCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000775572580 646967677 /nfs/dbraw/zinc/96/76/77/646967677.db2.gz VXNIVWQZJJEHAP-SNVBAGLBSA-N 1 2 268.288 2.345 20 5 CEBDLO C[C@@H]1CCOCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000775572580 646967679 /nfs/dbraw/zinc/96/76/79/646967679.db2.gz VXNIVWQZJJEHAP-SNVBAGLBSA-N 1 2 268.288 2.345 20 5 CEBDLO Cc1cccc(C(=O)OCc2cc[nH+]c(N)c2)c1[N+](=O)[O-] ZINC000787561842 648117194 /nfs/dbraw/zinc/11/71/94/648117194.db2.gz CJIXEDRUXFABJD-UHFFFAOYSA-N 1 2 287.275 2.237 20 5 CEBDLO Nc1cc(COC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc[nH+]1 ZINC000791881845 648579088 /nfs/dbraw/zinc/57/90/88/648579088.db2.gz BELMJFGWEBUQEK-UHFFFAOYSA-N 1 2 291.238 2.068 20 5 CEBDLO O=[N+]([O-])c1ccccc1C[NH2+]Cc1cccnc1F ZINC000793285885 648737009 /nfs/dbraw/zinc/73/70/09/648737009.db2.gz YNTDBZCQMUUQTJ-UHFFFAOYSA-N 1 2 261.256 2.419 20 5 CEBDLO Cc1nnc(CC[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])[nH]1 ZINC000872061080 649257728 /nfs/dbraw/zinc/25/77/28/649257728.db2.gz VXRUAGXMTFNZAN-QMMMGPOBSA-N 1 2 293.302 2.054 20 5 CEBDLO Cc1c(C[NH2+]Cc2nnc(C(C)C)[nH]2)cccc1[N+](=O)[O-] ZINC000873129511 649565218 /nfs/dbraw/zinc/56/52/18/649565218.db2.gz PNULRXNAOGJSHX-UHFFFAOYSA-N 1 2 289.339 2.435 20 5 CEBDLO Cc1c(C[NH2+][C@H]2C[C@@H](C)n3ncnc32)cccc1[N+](=O)[O-] ZINC000873135872 649567057 /nfs/dbraw/zinc/56/70/57/649567057.db2.gz OXQBGUSFEIESNC-SKDRFNHKSA-N 1 2 287.323 2.290 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@H](CF)C1 ZINC000880237063 651406181 /nfs/dbraw/zinc/40/61/81/651406181.db2.gz PJHUAWYCVNUMFA-SNVBAGLBSA-N 1 2 268.288 2.482 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@H](CF)C1 ZINC000880237063 651406182 /nfs/dbraw/zinc/40/61/82/651406182.db2.gz PJHUAWYCVNUMFA-SNVBAGLBSA-N 1 2 268.288 2.482 20 5 CEBDLO O=[N+]([O-])c1c(F)nccc1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000881917146 651912663 /nfs/dbraw/zinc/91/26/63/651912663.db2.gz VHKRYNPELWXZLC-SNVBAGLBSA-N 1 2 291.286 2.167 20 5 CEBDLO CC[N@@H+]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000754080356 814117083 /nfs/dbraw/zinc/11/70/83/814117083.db2.gz UGADBFXYAUGVPA-SECBINFHSA-N 1 2 285.294 2.403 20 5 CEBDLO CC[N@H+]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000754080356 814117092 /nfs/dbraw/zinc/11/70/92/814117092.db2.gz UGADBFXYAUGVPA-SECBINFHSA-N 1 2 285.294 2.403 20 5 CEBDLO O=C(NCc1cn2ccccc2[nH+]1)c1ccccc1[N+](=O)[O-] ZINC000028833525 343397732 /nfs/dbraw/zinc/39/77/32/343397732.db2.gz YRGAXMIMUOKOKQ-UHFFFAOYSA-N 1 2 296.286 2.173 20 5 CEBDLO COc1ccc(C[NH+]2CCSCC2)cc1[N+](=O)[O-] ZINC000047986460 362237583 /nfs/dbraw/zinc/23/75/83/362237583.db2.gz YRKIVTPKASQASV-UHFFFAOYSA-N 1 2 268.338 2.152 20 5 CEBDLO CC(C)(CNc1ccsc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000049056566 343534384 /nfs/dbraw/zinc/53/43/84/343534384.db2.gz JGZSJIDNJBOFEM-UHFFFAOYSA-N 1 2 285.369 2.179 20 5 CEBDLO O=[N+]([O-])c1sccc1N1CCN(c2cccc[nH+]2)CC1 ZINC000049056526 343534701 /nfs/dbraw/zinc/53/47/01/343534701.db2.gz BLRIHQQFTZJGFV-UHFFFAOYSA-N 1 2 290.348 2.378 20 5 CEBDLO CN1CCCC[C@H]([N@H+](C)Cc2ccccc2[N+](=O)[O-])C1=O ZINC000601967781 346945389 /nfs/dbraw/zinc/94/53/89/346945389.db2.gz BIKGJQUUWGKXHY-AWEZNQCLSA-N 1 2 291.351 2.038 20 5 CEBDLO CN1CCCC[C@H]([N@@H+](C)Cc2ccccc2[N+](=O)[O-])C1=O ZINC000601967781 346945390 /nfs/dbraw/zinc/94/53/90/346945390.db2.gz BIKGJQUUWGKXHY-AWEZNQCLSA-N 1 2 291.351 2.038 20 5 CEBDLO COC(=O)N1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000053373326 343574144 /nfs/dbraw/zinc/57/41/44/343574144.db2.gz VWHXGWDYBYOEBT-NSHDSACASA-N 1 2 293.323 2.040 20 5 CEBDLO COCC[N@H+](Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000054175523 343586489 /nfs/dbraw/zinc/58/64/89/343586489.db2.gz OBJCMSRXPTXRAY-UHFFFAOYSA-N 1 2 256.327 2.267 20 5 CEBDLO COCC[N@@H+](Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000054175523 343586491 /nfs/dbraw/zinc/58/64/91/343586491.db2.gz OBJCMSRXPTXRAY-UHFFFAOYSA-N 1 2 256.327 2.267 20 5 CEBDLO CC[C@@H]1C[N@H+](CC)CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000449566934 282286375 /nfs/dbraw/zinc/28/63/75/282286375.db2.gz SLYVJHABYHSMFM-CYBMUJFWSA-N 1 2 293.367 2.217 20 5 CEBDLO CC[C@@H]1C[N@@H+](CC)CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000449566934 282286380 /nfs/dbraw/zinc/28/63/80/282286380.db2.gz SLYVJHABYHSMFM-CYBMUJFWSA-N 1 2 293.367 2.217 20 5 CEBDLO CCC1(O)CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000075859389 343869271 /nfs/dbraw/zinc/86/92/71/343869271.db2.gz WIZCKODZILZWCB-UHFFFAOYSA-N 1 2 270.354 2.393 20 5 CEBDLO C[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000092971222 344208831 /nfs/dbraw/zinc/20/88/31/344208831.db2.gz XNKLHRDFQMYZOM-ZWNOBZJWSA-N 1 2 280.324 2.036 20 5 CEBDLO C[C@@H](O)[C@H]1CCCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000092971222 344208833 /nfs/dbraw/zinc/20/88/33/344208833.db2.gz XNKLHRDFQMYZOM-ZWNOBZJWSA-N 1 2 280.324 2.036 20 5 CEBDLO O=[N+]([O-])c1ccc(NCCCCn2cc[nH+]c2)cn1 ZINC000053297719 362490829 /nfs/dbraw/zinc/49/08/29/362490829.db2.gz GGQPLOLOSZVFKU-UHFFFAOYSA-N 1 2 261.285 2.079 20 5 CEBDLO CN(C[C@H](O)C1CC1)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000591149321 345225149 /nfs/dbraw/zinc/22/51/49/345225149.db2.gz GPSYJMGZXKRIGQ-AWEZNQCLSA-N 1 2 287.319 2.350 20 5 CEBDLO O=[N+]([O-])c1cc(C[NH+]2CC3(C2)CCCOC3)cs1 ZINC000590969215 345207998 /nfs/dbraw/zinc/20/79/98/345207998.db2.gz NXLUTIOZHAFZCR-UHFFFAOYSA-N 1 2 268.338 2.269 20 5 CEBDLO COc1cc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])on1 ZINC000595423324 345778438 /nfs/dbraw/zinc/77/84/38/345778438.db2.gz NMCMEVWPPZLSMZ-SECBINFHSA-N 1 2 277.280 2.442 20 5 CEBDLO Cc1nnc(C[N@H+](C)CCc2ccc([N+](=O)[O-])cc2)s1 ZINC000595886725 345906550 /nfs/dbraw/zinc/90/65/50/345906550.db2.gz YFMCIFORKPHHFC-UHFFFAOYSA-N 1 2 292.364 2.429 20 5 CEBDLO Cc1nnc(C[N@@H+](C)CCc2ccc([N+](=O)[O-])cc2)s1 ZINC000595886725 345906553 /nfs/dbraw/zinc/90/65/53/345906553.db2.gz YFMCIFORKPHHFC-UHFFFAOYSA-N 1 2 292.364 2.429 20 5 CEBDLO COCCOCCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599023105 346447425 /nfs/dbraw/zinc/44/74/25/346447425.db2.gz RLTSNHJCVKJUPA-UHFFFAOYSA-N 1 2 291.307 2.218 20 5 CEBDLO C[C@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCO1 ZINC000599023992 346448554 /nfs/dbraw/zinc/44/85/54/346448554.db2.gz XFKMGNAMXMYXPS-JTQLQIEISA-N 1 2 273.292 2.368 20 5 CEBDLO C[C@H](O)CCN(C)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599047760 346451692 /nfs/dbraw/zinc/45/16/92/346451692.db2.gz AQDAQZXVRAIVEP-JTQLQIEISA-N 1 2 275.308 2.350 20 5 CEBDLO Cc1ccc(C[N@@H+]2CCO[C@H](CCF)C2)cc1[N+](=O)[O-] ZINC000600206400 346622909 /nfs/dbraw/zinc/62/29/09/346622909.db2.gz WWNBSNNBWZIJME-CYBMUJFWSA-N 1 2 282.315 2.464 20 5 CEBDLO Cc1ccc(C[N@H+]2CCO[C@H](CCF)C2)cc1[N+](=O)[O-] ZINC000600206400 346622913 /nfs/dbraw/zinc/62/29/13/346622913.db2.gz WWNBSNNBWZIJME-CYBMUJFWSA-N 1 2 282.315 2.464 20 5 CEBDLO Cc1[nH+]c2ccccn2c1Cn1cc([N+](=O)[O-])c(C)cc1=O ZINC000128474427 187372788 /nfs/dbraw/zinc/37/27/88/187372788.db2.gz CVWAVHVICGGDHY-UHFFFAOYSA-N 1 2 298.302 2.069 20 5 CEBDLO COC(=O)C12CCC(CC1)[N@@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC000602984454 347266861 /nfs/dbraw/zinc/26/68/61/347266861.db2.gz MWLVRZIYYFKRGF-UHFFFAOYSA-N 1 2 290.319 2.265 20 5 CEBDLO COC(=O)C12CCC(CC1)[N@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC000602984454 347266863 /nfs/dbraw/zinc/26/68/63/347266863.db2.gz MWLVRZIYYFKRGF-UHFFFAOYSA-N 1 2 290.319 2.265 20 5 CEBDLO O=[N+]([O-])c1ncccc1NCc1cn2ccccc2[nH+]1 ZINC000603838301 347391045 /nfs/dbraw/zinc/39/10/45/347391045.db2.gz BQIVHUACFZMJDK-UHFFFAOYSA-N 1 2 269.264 2.250 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@H]2CCC[C@@H]21 ZINC000610762634 347712399 /nfs/dbraw/zinc/71/23/99/347712399.db2.gz IBQHQEMXCWIIKB-RISCZKNCSA-N 1 2 289.335 2.326 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@H]2CCC[C@@H]21 ZINC000610762634 347712401 /nfs/dbraw/zinc/71/24/01/347712401.db2.gz IBQHQEMXCWIIKB-RISCZKNCSA-N 1 2 289.335 2.326 20 5 CEBDLO CN1CCC[N@H+](CCCNc2sccc2[N+](=O)[O-])CC1 ZINC000611412526 347776322 /nfs/dbraw/zinc/77/63/22/347776322.db2.gz UMEXGBWTZMPEFU-UHFFFAOYSA-N 1 2 298.412 2.096 20 5 CEBDLO CN1CCC[N@@H+](CCCNc2sccc2[N+](=O)[O-])CC1 ZINC000611412526 347776324 /nfs/dbraw/zinc/77/63/24/347776324.db2.gz UMEXGBWTZMPEFU-UHFFFAOYSA-N 1 2 298.412 2.096 20 5 CEBDLO C[C@@H]1COCCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000610990828 347728159 /nfs/dbraw/zinc/72/81/59/347728159.db2.gz PLBXZZJKXNVOQN-SNVBAGLBSA-N 1 2 268.288 2.345 20 5 CEBDLO C[C@@H]1COCCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000610990828 347728165 /nfs/dbraw/zinc/72/81/65/347728165.db2.gz PLBXZZJKXNVOQN-SNVBAGLBSA-N 1 2 268.288 2.345 20 5 CEBDLO Cc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)ncn1 ZINC000611498479 347786172 /nfs/dbraw/zinc/78/61/72/347786172.db2.gz DCYPQUXEAMASMD-UHFFFAOYSA-N 1 2 276.271 2.122 20 5 CEBDLO COC1([C@@H](C)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])CCC1 ZINC000412027514 233315443 /nfs/dbraw/zinc/31/54/43/233315443.db2.gz VPNXEGNNRKYDKU-SNVBAGLBSA-N 1 2 280.324 2.348 20 5 CEBDLO O=[N+]([O-])c1cnc(NCCCn2cc[nH+]c2)c(Cl)c1 ZINC000091424683 180151856 /nfs/dbraw/zinc/15/18/56/180151856.db2.gz QTVJNXORNIUMBP-UHFFFAOYSA-N 1 2 281.703 2.342 20 5 CEBDLO CC(=O)c1ccc(N[C@H](C)Cn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000271603893 191238252 /nfs/dbraw/zinc/23/82/52/191238252.db2.gz IUJKWXZIZMOBQQ-SNVBAGLBSA-N 1 2 288.307 2.495 20 5 CEBDLO CCn1cc[nH+]c1CNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000452578240 283324199 /nfs/dbraw/zinc/32/41/99/283324199.db2.gz ZLJQTUNFCCVJIQ-UHFFFAOYSA-N 1 2 288.307 2.050 20 5 CEBDLO O=[N+]([O-])c1cnc(N2CCC(n3cc[nH+]c3)CC2)c(F)c1 ZINC000577826875 366401508 /nfs/dbraw/zinc/40/15/08/366401508.db2.gz FBAZFWFNPHBKTL-UHFFFAOYSA-N 1 2 291.286 2.167 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000570823620 299279203 /nfs/dbraw/zinc/27/92/03/299279203.db2.gz HQLZRAAIXRQZMI-JTQLQIEISA-N 1 2 288.307 2.444 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000570823620 299279208 /nfs/dbraw/zinc/27/92/08/299279208.db2.gz HQLZRAAIXRQZMI-JTQLQIEISA-N 1 2 288.307 2.444 20 5 CEBDLO Cc1c(C[N@@H+]2CCOCC23CC3)cccc1[N+](=O)[O-] ZINC000338596313 366434282 /nfs/dbraw/zinc/43/42/82/366434282.db2.gz GNAWWSYCZOYTDO-UHFFFAOYSA-N 1 2 262.309 2.268 20 5 CEBDLO Cc1c(C[N@H+]2CCOCC23CC3)cccc1[N+](=O)[O-] ZINC000338596313 366434288 /nfs/dbraw/zinc/43/42/88/366434288.db2.gz GNAWWSYCZOYTDO-UHFFFAOYSA-N 1 2 262.309 2.268 20 5 CEBDLO Cc1ccc(C[NH2+]Cc2nnc(C3CC3)[nH]2)cc1[N+](=O)[O-] ZINC000294934243 199258431 /nfs/dbraw/zinc/25/84/31/199258431.db2.gz ZQJDENNDGTWRBT-UHFFFAOYSA-N 1 2 287.323 2.189 20 5 CEBDLO CC(C)(C)OC(=O)C1C[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000297333121 200152025 /nfs/dbraw/zinc/15/20/25/200152025.db2.gz DQAMKAYRCBTYQW-UHFFFAOYSA-N 1 2 292.335 2.368 20 5 CEBDLO CC[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000140697106 366563073 /nfs/dbraw/zinc/56/30/73/366563073.db2.gz XHXCMDSCEBQKEB-NSHDSACASA-N 1 2 288.307 2.128 20 5 CEBDLO CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1[nH]cc[nH+]1 ZINC000140700474 366563156 /nfs/dbraw/zinc/56/31/56/366563156.db2.gz WBNPRJKEYMQXNF-LLVKDONJSA-N 1 2 274.280 2.199 20 5 CEBDLO CC[C@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000579394150 366641491 /nfs/dbraw/zinc/64/14/91/366641491.db2.gz ZVIPAHLYWSABCN-JTQLQIEISA-N 1 2 297.380 2.131 20 5 CEBDLO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000579394150 366641495 /nfs/dbraw/zinc/64/14/95/366641495.db2.gz ZVIPAHLYWSABCN-JTQLQIEISA-N 1 2 297.380 2.131 20 5 CEBDLO CC(=O)c1cc(NCc2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000342089123 216214937 /nfs/dbraw/zinc/21/49/37/216214937.db2.gz QXPXIFWHBYLNTJ-UHFFFAOYSA-N 1 2 274.280 2.143 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCCCC[C@@H]1CCO ZINC000339166166 366685612 /nfs/dbraw/zinc/68/56/12/366685612.db2.gz CVELXQVGPQKIJA-CYBMUJFWSA-N 1 2 294.351 2.427 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCCCC[C@@H]1CCO ZINC000339166166 366685617 /nfs/dbraw/zinc/68/56/17/366685617.db2.gz CVELXQVGPQKIJA-CYBMUJFWSA-N 1 2 294.351 2.427 20 5 CEBDLO O=[N+]([O-])c1ccc(N2CCN(c3cccc[nH+]3)CC2)s1 ZINC000004716694 361327240 /nfs/dbraw/zinc/32/72/40/361327240.db2.gz VBEOHBJEFKPGQR-UHFFFAOYSA-N 1 2 290.348 2.378 20 5 CEBDLO CC(=O)N1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000182166997 189316236 /nfs/dbraw/zinc/31/62/36/189316236.db2.gz FGXLUXHUZMXTCJ-UHFFFAOYSA-N 1 2 291.351 2.038 20 5 CEBDLO CC(=O)N1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000182166997 189316237 /nfs/dbraw/zinc/31/62/37/189316237.db2.gz FGXLUXHUZMXTCJ-UHFFFAOYSA-N 1 2 291.351 2.038 20 5 CEBDLO Cc1[nH]c2ccc(NC(=O)c3cc([N+](=O)[O-])cn3C)cc2[nH+]1 ZINC000581622652 366804439 /nfs/dbraw/zinc/80/44/39/366804439.db2.gz TXNGBXHYJQUVEY-UHFFFAOYSA-N 1 2 299.290 2.370 20 5 CEBDLO Cc1[nH]c2cc(NC(=O)c3cc([N+](=O)[O-])cn3C)ccc2[nH+]1 ZINC000581622652 366804440 /nfs/dbraw/zinc/80/44/40/366804440.db2.gz TXNGBXHYJQUVEY-UHFFFAOYSA-N 1 2 299.290 2.370 20 5 CEBDLO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ncn(C)n1 ZINC000275510350 193062044 /nfs/dbraw/zinc/06/20/44/193062044.db2.gz HTSIIABVEYILJJ-UWVGGRQHSA-N 1 2 275.312 2.135 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(C)CC1 ZINC000182634750 368573139 /nfs/dbraw/zinc/57/31/39/368573139.db2.gz ZPQWDQSBIUCAIL-GFCCVEGCSA-N 1 2 263.341 2.212 20 5 CEBDLO CCOc1cc(C[N@@H+]2CCO[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000330617895 203044677 /nfs/dbraw/zinc/04/46/77/203044677.db2.gz XMXFZEZNGAHDFU-NSHDSACASA-N 1 2 280.324 2.214 20 5 CEBDLO CCOc1cc(C[N@H+]2CCO[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000330617895 203044680 /nfs/dbraw/zinc/04/46/80/203044680.db2.gz XMXFZEZNGAHDFU-NSHDSACASA-N 1 2 280.324 2.214 20 5 CEBDLO Cc1noc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)n1 ZINC000348095605 368894800 /nfs/dbraw/zinc/89/48/00/368894800.db2.gz JLZAPDWGPQBKPH-SECBINFHSA-N 1 2 276.296 2.445 20 5 CEBDLO Cc1ccc(C[N@@H+]2CCC[C@@]23CCOC3=O)cc1[N+](=O)[O-] ZINC000190035826 369591591 /nfs/dbraw/zinc/59/15/91/369591591.db2.gz WXCOTFRIYBTOPA-HNNXBMFYSA-N 1 2 290.319 2.185 20 5 CEBDLO Cc1ccc(C[N@H+]2CCC[C@@]23CCOC3=O)cc1[N+](=O)[O-] ZINC000190035826 369591594 /nfs/dbraw/zinc/59/15/94/369591594.db2.gz WXCOTFRIYBTOPA-HNNXBMFYSA-N 1 2 290.319 2.185 20 5 CEBDLO CCn1ncnc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000193488819 369946916 /nfs/dbraw/zinc/94/69/16/369946916.db2.gz TUHYODLYCWDRPR-JTQLQIEISA-N 1 2 275.312 2.057 20 5 CEBDLO COC[C@H]1C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000249248738 371307125 /nfs/dbraw/zinc/30/71/25/371307125.db2.gz XPHVNXGDQUYQDY-GXTWGEPZSA-N 1 2 294.351 2.139 20 5 CEBDLO COC[C@H]1C[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000249248738 371307128 /nfs/dbraw/zinc/30/71/28/371307128.db2.gz XPHVNXGDQUYQDY-GXTWGEPZSA-N 1 2 294.351 2.139 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(NC[C@H](C)Cn2cc[nH+]c2)n1 ZINC000268870220 372264186 /nfs/dbraw/zinc/26/41/86/372264186.db2.gz DAGUJRWJKRENDF-JTQLQIEISA-N 1 2 275.312 2.243 20 5 CEBDLO COC1(C)C[NH+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000362311613 372307691 /nfs/dbraw/zinc/30/76/91/372307691.db2.gz CANLAPRFVXOZLW-ALCCZGGFSA-N 1 2 262.309 2.329 20 5 CEBDLO CC[C@H]1C[N@H+](CCNc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000362681605 372485069 /nfs/dbraw/zinc/48/50/69/372485069.db2.gz QWEVXUHALSZIKH-LBPRGKRZSA-N 1 2 297.330 2.257 20 5 CEBDLO CC[C@H]1C[N@@H+](CCNc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000362681605 372485079 /nfs/dbraw/zinc/48/50/79/372485079.db2.gz QWEVXUHALSZIKH-LBPRGKRZSA-N 1 2 297.330 2.257 20 5 CEBDLO Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000269853536 372579853 /nfs/dbraw/zinc/57/98/53/372579853.db2.gz GKDGUSFCNWOION-LBPRGKRZSA-N 1 2 299.334 2.384 20 5 CEBDLO Cc1ccc(C[N@H+]2CC[S@@](=O)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000365447602 372863525 /nfs/dbraw/zinc/86/35/25/372863525.db2.gz OGHVXOMHGRDIEX-ODXCJYRJSA-N 1 2 296.392 2.246 20 5 CEBDLO Cc1ccc(C[N@@H+]2CC[S@@](=O)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000365447602 372863527 /nfs/dbraw/zinc/86/35/27/372863527.db2.gz OGHVXOMHGRDIEX-ODXCJYRJSA-N 1 2 296.392 2.246 20 5 CEBDLO CCNC(=O)C[N@H+](CC)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000270741417 372930867 /nfs/dbraw/zinc/93/08/67/372930867.db2.gz XPNQJEGLHLTWJZ-NSHDSACASA-N 1 2 279.340 2.114 20 5 CEBDLO CCNC(=O)C[N@@H+](CC)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000270741417 372930875 /nfs/dbraw/zinc/93/08/75/372930875.db2.gz XPNQJEGLHLTWJZ-NSHDSACASA-N 1 2 279.340 2.114 20 5 CEBDLO C[C@@H]1CCOCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000367457340 373156041 /nfs/dbraw/zinc/15/60/41/373156041.db2.gz GEKPTAJXPIFQSG-SNVBAGLBSA-N 1 2 295.295 2.114 20 5 CEBDLO C[C@@H]1CCOCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000367457340 373156050 /nfs/dbraw/zinc/15/60/50/373156050.db2.gz GEKPTAJXPIFQSG-SNVBAGLBSA-N 1 2 295.295 2.114 20 5 CEBDLO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ncnn1C ZINC000276682529 374264607 /nfs/dbraw/zinc/26/46/07/374264607.db2.gz LULZKGOWCRCDDS-QMMMGPOBSA-N 1 2 295.730 2.228 20 5 CEBDLO Cc1c(C[N@@H+]2CC[S@@](=O)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000277534600 374557454 /nfs/dbraw/zinc/55/74/54/374557454.db2.gz RRHCDRKHJPRLJS-PRWKNARSSA-N 1 2 296.392 2.104 20 5 CEBDLO Cc1c(C[N@H+]2CC[S@@](=O)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000277534600 374557456 /nfs/dbraw/zinc/55/74/56/374557456.db2.gz RRHCDRKHJPRLJS-PRWKNARSSA-N 1 2 296.392 2.104 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC[C@@H]2C2CC2)cc1F ZINC000283123931 375660195 /nfs/dbraw/zinc/66/01/95/375660195.db2.gz NBXJNQFYVAHYNO-CQSZACIVSA-N 1 2 280.299 2.345 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCOC[C@@H]2C2CC2)cc1F ZINC000283123931 375660199 /nfs/dbraw/zinc/66/01/99/375660199.db2.gz NBXJNQFYVAHYNO-CQSZACIVSA-N 1 2 280.299 2.345 20 5 CEBDLO Nc1ccc(N[C@H]2CCN(c3cccc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000286110346 375848097 /nfs/dbraw/zinc/84/80/97/375848097.db2.gz FXPNBXYHZWZUEE-LBPRGKRZSA-N 1 2 299.334 2.263 20 5 CEBDLO C[C@@H](Nc1ccc(F)cc1[N+](=O)[O-])[C@@H](C)[NH+]1CCOCC1 ZINC000264289230 190101541 /nfs/dbraw/zinc/10/15/41/190101541.db2.gz QAYNKGXBUYOCCY-GHMZBOCLSA-N 1 2 297.330 2.255 20 5 CEBDLO Cc1cccc(N2CCn3c[nH+]cc3C2)c1[N+](=O)[O-] ZINC000290637058 376862180 /nfs/dbraw/zinc/86/21/80/376862180.db2.gz HQORYHIORBHRFP-UHFFFAOYSA-N 1 2 258.281 2.120 20 5 CEBDLO CC(=O)c1ccc(N2CCn3c[nH+]cc3C2)c([N+](=O)[O-])c1 ZINC000290757829 376910735 /nfs/dbraw/zinc/91/07/35/376910735.db2.gz TZTAEFAQJJZHGU-UHFFFAOYSA-N 1 2 286.291 2.014 20 5 CEBDLO CCc1nnc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)[nH]1 ZINC000562572678 376936712 /nfs/dbraw/zinc/93/67/12/376936712.db2.gz OOXTWKUTGPUWLH-SNVBAGLBSA-N 1 2 289.339 2.435 20 5 CEBDLO Cc1cc(N[C@@H](C)C[NH+]2CCOCC2)c(F)cc1[N+](=O)[O-] ZINC000290890742 376968165 /nfs/dbraw/zinc/96/81/65/376968165.db2.gz CVTCYYRXESEJDK-NSHDSACASA-N 1 2 297.330 2.175 20 5 CEBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000330577864 377192915 /nfs/dbraw/zinc/19/29/15/377192915.db2.gz NPJCUSNCKQSIOE-JTQLQIEISA-N 1 2 268.338 2.238 20 5 CEBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000330577864 377192924 /nfs/dbraw/zinc/19/29/24/377192924.db2.gz NPJCUSNCKQSIOE-JTQLQIEISA-N 1 2 268.338 2.238 20 5 CEBDLO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330444422 377135365 /nfs/dbraw/zinc/13/53/65/377135365.db2.gz CFWASKKAZJSOFM-JRPNMDOOSA-N 1 2 294.351 2.282 20 5 CEBDLO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330444422 377135368 /nfs/dbraw/zinc/13/53/68/377135368.db2.gz CFWASKKAZJSOFM-JRPNMDOOSA-N 1 2 294.351 2.282 20 5 CEBDLO CC[N@@H+]1C[C@@H](C)N(Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1C ZINC000330452327 377139118 /nfs/dbraw/zinc/13/91/18/377139118.db2.gz KSYZWENKGJKWGL-VXGBXAGGSA-N 1 2 293.367 2.215 20 5 CEBDLO CC[N@H+]1C[C@@H](C)N(Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1C ZINC000330452327 377139126 /nfs/dbraw/zinc/13/91/26/377139126.db2.gz KSYZWENKGJKWGL-VXGBXAGGSA-N 1 2 293.367 2.215 20 5 CEBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC(F)(F)[C@H](CO)C2)cs1 ZINC000291290515 377159449 /nfs/dbraw/zinc/15/94/49/377159449.db2.gz PPDYMZZVHKZRAG-VIFPVBQESA-N 1 2 292.307 2.106 20 5 CEBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC(F)(F)[C@H](CO)C2)cs1 ZINC000291290515 377159460 /nfs/dbraw/zinc/15/94/60/377159460.db2.gz PPDYMZZVHKZRAG-VIFPVBQESA-N 1 2 292.307 2.106 20 5 CEBDLO Cc1ccc(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cc1[N+](=O)[O-] ZINC000563547219 377248870 /nfs/dbraw/zinc/24/88/70/377248870.db2.gz RHZHDAWEWHEGAG-JTQLQIEISA-N 1 2 288.307 2.444 20 5 CEBDLO Cc1ccc(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cc1[N+](=O)[O-] ZINC000563547219 377248878 /nfs/dbraw/zinc/24/88/78/377248878.db2.gz RHZHDAWEWHEGAG-JTQLQIEISA-N 1 2 288.307 2.444 20 5 CEBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CC[C@H](O)C2)c1 ZINC000293005510 377390103 /nfs/dbraw/zinc/39/01/03/377390103.db2.gz HBOLGBVCSXYALO-JTQLQIEISA-N 1 2 290.241 2.180 20 5 CEBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000293005510 377390107 /nfs/dbraw/zinc/39/01/07/377390107.db2.gz HBOLGBVCSXYALO-JTQLQIEISA-N 1 2 290.241 2.180 20 5 CEBDLO Cc1ccnc(NC[C@@H](C)Cn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000265172611 190163331 /nfs/dbraw/zinc/16/33/31/190163331.db2.gz HLLPIIASAMSVRF-SNVBAGLBSA-N 1 2 275.312 2.243 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc[nH+]c(C)c2)c1 ZINC000346837933 218031016 /nfs/dbraw/zinc/03/10/16/218031016.db2.gz FKSYDCKOQAPQED-UHFFFAOYSA-N 1 2 271.276 2.281 20 5 CEBDLO C[C@@H](Cn1cc[nH+]c1)Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347430227 218232681 /nfs/dbraw/zinc/23/26/81/218232681.db2.gz NGUDTBUKPAHKLD-JTQLQIEISA-N 1 2 298.306 2.235 20 5 CEBDLO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000456348045 379398498 /nfs/dbraw/zinc/39/84/98/379398498.db2.gz KEAJTTJUEKYXMT-SNVBAGLBSA-N 1 2 297.380 2.213 20 5 CEBDLO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000456348045 379398504 /nfs/dbraw/zinc/39/85/04/379398504.db2.gz KEAJTTJUEKYXMT-SNVBAGLBSA-N 1 2 297.380 2.213 20 5 CEBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000456351007 379400447 /nfs/dbraw/zinc/40/04/47/379400447.db2.gz BBAPEYWRZUMAFD-MRVPVSSYSA-N 1 2 294.336 2.364 20 5 CEBDLO C[C@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000456354750 379403156 /nfs/dbraw/zinc/40/31/56/379403156.db2.gz PWLKREANAVVPAU-JOYOIKCWSA-N 1 2 286.291 2.227 20 5 CEBDLO Cc1[nH]c(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c[nH+]1 ZINC000267734460 190351489 /nfs/dbraw/zinc/35/14/89/190351489.db2.gz ALVQDJBCQLMCIL-VIFPVBQESA-N 1 2 288.307 2.426 20 5 CEBDLO Cc1sc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000552558839 380708206 /nfs/dbraw/zinc/70/82/06/380708206.db2.gz LHKRXORTNSKKQO-ZCFIWIBFSA-N 1 2 280.309 2.179 20 5 CEBDLO O=[N+]([O-])c1ccc2[nH]c(NCCCn3cc[nH+]c3)nc2c1 ZINC000094771662 184858416 /nfs/dbraw/zinc/85/84/16/184858416.db2.gz JHJNFTZMKYJURU-UHFFFAOYSA-N 1 2 286.295 2.170 20 5 CEBDLO CN(CCCCO)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413257274 394514116 /nfs/dbraw/zinc/51/41/16/394514116.db2.gz NOIBMVQJQQFXRK-UHFFFAOYSA-N 1 2 275.308 2.352 20 5 CEBDLO CO[C@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413179361 394499299 /nfs/dbraw/zinc/49/92/99/394499299.db2.gz XBYFKISJGRAMDY-LBPRGKRZSA-N 1 2 273.292 2.368 20 5 CEBDLO Cc1[nH+]c[nH]c1CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000355254960 395384131 /nfs/dbraw/zinc/38/41/31/395384131.db2.gz KZCZXNUVCHLTST-UHFFFAOYSA-N 1 2 299.290 2.038 20 5 CEBDLO Cc1cc(CNc2ncc([N+](=O)[O-])s2)cc(C)[nH+]1 ZINC000420647026 395402058 /nfs/dbraw/zinc/40/20/58/395402058.db2.gz BPMWCFVRZGTUOC-UHFFFAOYSA-N 1 2 264.310 2.097 20 5 CEBDLO Cc1ccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)nc1 ZINC000446836296 395499765 /nfs/dbraw/zinc/49/97/65/395499765.db2.gz QHOCJKVMEMQXRS-UHFFFAOYSA-N 1 2 297.318 2.464 20 5 CEBDLO Cc1ccnc(NCCNc2cccc[nH+]2)c1[N+](=O)[O-] ZINC000360277331 155260028 /nfs/dbraw/zinc/26/00/28/155260028.db2.gz AWTFKXBTLXSNHJ-UHFFFAOYSA-N 1 2 273.296 2.217 20 5 CEBDLO O=[N+]([O-])c1cnn(Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000192833466 153219479 /nfs/dbraw/zinc/21/94/79/153219479.db2.gz LCQRGZKNKBWKHM-UHFFFAOYSA-N 1 2 269.264 2.025 20 5 CEBDLO Cc1[nH+]c[nH]c1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000359510704 155038135 /nfs/dbraw/zinc/03/81/35/155038135.db2.gz KAQZHMNAAFDVDI-UHFFFAOYSA-N 1 2 299.290 2.038 20 5 CEBDLO Cc1c(C[N@@H+]2CC[C@@H]3CCOC(=O)[C@@H]32)cccc1[N+](=O)[O-] ZINC000368581282 156369766 /nfs/dbraw/zinc/36/97/66/156369766.db2.gz QSXXKJVUEXMGEH-BXUZGUMPSA-N 1 2 290.319 2.041 20 5 CEBDLO Cc1c(C[N@H+]2CC[C@@H]3CCOC(=O)[C@@H]32)cccc1[N+](=O)[O-] ZINC000368581282 156369768 /nfs/dbraw/zinc/36/97/68/156369768.db2.gz QSXXKJVUEXMGEH-BXUZGUMPSA-N 1 2 290.319 2.041 20 5 CEBDLO Cc1cc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC000010163268 170399689 /nfs/dbraw/zinc/39/96/89/170399689.db2.gz BPYTUYIYNVVGSX-UHFFFAOYSA-N 1 2 271.276 2.479 20 5 CEBDLO CCn1nncc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000418014607 227853376 /nfs/dbraw/zinc/85/33/76/227853376.db2.gz VABAIAXVFXDSFW-UHFFFAOYSA-N 1 2 295.730 2.149 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000430227080 271364516 /nfs/dbraw/zinc/36/45/16/271364516.db2.gz OSSPOTCMVFGZHJ-PHIMTYICSA-N 1 2 280.324 2.213 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000430227080 271364521 /nfs/dbraw/zinc/36/45/21/271364521.db2.gz OSSPOTCMVFGZHJ-PHIMTYICSA-N 1 2 280.324 2.213 20 5 CEBDLO CC(C)C[N@H+](CC(N)=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182054037 277378827 /nfs/dbraw/zinc/37/88/27/277378827.db2.gz KGTSDFHCAXKNQF-UHFFFAOYSA-N 1 2 299.758 2.192 20 5 CEBDLO CC(C)C[N@@H+](CC(N)=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182054037 277378829 /nfs/dbraw/zinc/37/88/29/277378829.db2.gz KGTSDFHCAXKNQF-UHFFFAOYSA-N 1 2 299.758 2.192 20 5 CEBDLO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)c2[nH+]ccn21 ZINC000456356108 289595969 /nfs/dbraw/zinc/59/59/69/289595969.db2.gz RZUWCKVMOYRMSS-BXKDBHETSA-N 1 2 286.291 2.227 20 5 CEBDLO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccn(C)n1 ZINC000459799305 290244553 /nfs/dbraw/zinc/24/45/53/290244553.db2.gz VKDRTWUWCIIIIF-JTQLQIEISA-N 1 2 260.297 2.179 20 5 CEBDLO COc1ccc(NC(=O)C[NH+]2[C@@H](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000548095859 298393074 /nfs/dbraw/zinc/39/30/74/298393074.db2.gz QNIARFNRRZERJS-UWVGGRQHSA-N 1 2 293.323 2.025 20 5 CEBDLO C[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ncn(C)n1 ZINC000563418404 298775067 /nfs/dbraw/zinc/77/50/67/298775067.db2.gz OZFULJFZMCDWEY-SKDRFNHKSA-N 1 2 287.323 2.061 20 5 CEBDLO C[C@@H]1CC([NH+]=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)C[C@@H](C)O1 ZINC000580694466 322335526 /nfs/dbraw/zinc/33/55/26/322335526.db2.gz XKZYBFUKWZDXDL-RKDXNWHRSA-N 1 2 290.323 2.261 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000366579318 522976579 /nfs/dbraw/zinc/97/65/79/522976579.db2.gz KEAKISSOZOVFDV-KGLIPLIRSA-N 1 2 292.335 2.357 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000366579318 522976586 /nfs/dbraw/zinc/97/65/86/522976586.db2.gz KEAKISSOZOVFDV-KGLIPLIRSA-N 1 2 292.335 2.357 20 5 CEBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC2(C1)OCCO2 ZINC000744398678 575120472 /nfs/dbraw/zinc/12/04/72/575120472.db2.gz NIXZAOMCHLMRCI-NSHDSACASA-N 1 2 278.308 2.105 20 5 CEBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC2(C1)OCCO2 ZINC000744398678 575120473 /nfs/dbraw/zinc/12/04/73/575120473.db2.gz NIXZAOMCHLMRCI-NSHDSACASA-N 1 2 278.308 2.105 20 5 CEBDLO C[N@@H+]1CCCC[C@@H]1C(=O)OCc1csc([N+](=O)[O-])c1 ZINC000745083765 575132536 /nfs/dbraw/zinc/13/25/36/575132536.db2.gz YEZINMRLCWDFBR-SNVBAGLBSA-N 1 2 284.337 2.184 20 5 CEBDLO C[N@H+]1CCCC[C@@H]1C(=O)OCc1csc([N+](=O)[O-])c1 ZINC000745083765 575132537 /nfs/dbraw/zinc/13/25/37/575132537.db2.gz YEZINMRLCWDFBR-SNVBAGLBSA-N 1 2 284.337 2.184 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H](CCO)C1CCCC1 ZINC000934009897 624160098 /nfs/dbraw/zinc/16/00/98/624160098.db2.gz OUBCTCSZWWPVNC-AWEZNQCLSA-N 1 2 294.351 2.331 20 5 CEBDLO O=[N+]([O-])c1cccc2c1CC[N@H+](CCO[C@@H]1CC1(F)F)C2 ZINC000851869953 643200407 /nfs/dbraw/zinc/20/04/07/643200407.db2.gz WNODOXGGZCEMAH-CYBMUJFWSA-N 1 2 298.289 2.377 20 5 CEBDLO O=[N+]([O-])c1cccc2c1CC[N@@H+](CCO[C@@H]1CC1(F)F)C2 ZINC000851869953 643200414 /nfs/dbraw/zinc/20/04/14/643200414.db2.gz WNODOXGGZCEMAH-CYBMUJFWSA-N 1 2 298.289 2.377 20 5 CEBDLO Cc1noc(CO[NH+]=C(N)Cc2cccs2)c1[N+](=O)[O-] ZINC000853666616 643854536 /nfs/dbraw/zinc/85/45/36/643854536.db2.gz KIMPFZVQRRYVKQ-UHFFFAOYSA-N 1 2 296.308 2.194 20 5 CEBDLO O=[N+]([O-])c1ccnn1C[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000766117057 645850043 /nfs/dbraw/zinc/85/00/43/645850043.db2.gz KJPCYEJZIFKWRM-MRVPVSSYSA-N 1 2 278.234 2.023 20 5 CEBDLO O=[N+]([O-])c1ccnn1C[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000766117057 645850047 /nfs/dbraw/zinc/85/00/47/645850047.db2.gz KJPCYEJZIFKWRM-MRVPVSSYSA-N 1 2 278.234 2.023 20 5 CEBDLO COc1cc(F)c([N+](=O)[O-])c(N2CC(n3cc[nH+]c3)C2)c1 ZINC000771238056 646503577 /nfs/dbraw/zinc/50/35/77/646503577.db2.gz YOIJGVSUFQDTCT-UHFFFAOYSA-N 1 2 292.270 2.000 20 5 CEBDLO C[C@H]1COCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774905501 646908100 /nfs/dbraw/zinc/90/81/00/646908100.db2.gz PAVUNZRZSCWMAA-JTQLQIEISA-N 1 2 295.295 2.114 20 5 CEBDLO C[C@H]1COCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774905501 646908108 /nfs/dbraw/zinc/90/81/08/646908108.db2.gz PAVUNZRZSCWMAA-JTQLQIEISA-N 1 2 295.295 2.114 20 5 CEBDLO Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CCC[N@H+](CCF)C2)n1 ZINC000865928454 647539326 /nfs/dbraw/zinc/53/93/26/647539326.db2.gz YIUHSLLPQNGXMY-LBPRGKRZSA-N 1 2 296.346 2.452 20 5 CEBDLO Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CCC[N@@H+](CCF)C2)n1 ZINC000865928454 647539329 /nfs/dbraw/zinc/53/93/29/647539329.db2.gz YIUHSLLPQNGXMY-LBPRGKRZSA-N 1 2 296.346 2.452 20 5 CEBDLO CCN(CC)C(=O)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872029280 649246058 /nfs/dbraw/zinc/24/60/58/649246058.db2.gz VUUOWMCYRJEOAB-JTQLQIEISA-N 1 2 297.330 2.253 20 5 CEBDLO Cc1ccc(O)c(Nc2ccc(N)c([N+](=O)[O-])c2)[nH+]1 ZINC001209935007 802597307 /nfs/dbraw/zinc/59/73/07/802597307.db2.gz UJUZXBYVUSKAEQ-UHFFFAOYSA-N 1 2 260.253 2.330 20 5 CEBDLO Cc1cc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc[nH+]1 ZINC000120015624 810795422 /nfs/dbraw/zinc/79/54/22/810795422.db2.gz ZDDPZZJVZXLLCQ-UHFFFAOYSA-N 1 2 299.333 2.161 20 5 CEBDLO CC(=O)NC1(C)CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001045335218 811593733 /nfs/dbraw/zinc/59/37/33/811593733.db2.gz HNJDFKGPDJFBKJ-UHFFFAOYSA-N 1 2 297.380 2.147 20 5 CEBDLO COc1ccc(C[C@@H](C)[N@@H+]2CCO[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001170336338 812389900 /nfs/dbraw/zinc/38/99/00/812389900.db2.gz WQWDJQAGOVMUOU-NEPJUHHUSA-N 1 2 294.351 2.255 20 5 CEBDLO COc1ccc(C[C@@H](C)[N@H+]2CCO[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001170336338 812389909 /nfs/dbraw/zinc/38/99/09/812389909.db2.gz WQWDJQAGOVMUOU-NEPJUHHUSA-N 1 2 294.351 2.255 20 5 CEBDLO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1nncn1C ZINC000037016377 361883335 /nfs/dbraw/zinc/88/33/35/361883335.db2.gz MALJEDDVWJFQDR-NXEZZACHSA-N 1 2 275.312 2.135 20 5 CEBDLO CC1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC[S@@]1=O ZINC000449569110 282287023 /nfs/dbraw/zinc/28/70/23/282287023.db2.gz ACPNJJMWOJQEIJ-FQEVSTJZSA-N 1 2 296.392 2.328 20 5 CEBDLO CC1(C)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC[S@@]1=O ZINC000449569110 282287025 /nfs/dbraw/zinc/28/70/25/282287025.db2.gz ACPNJJMWOJQEIJ-FQEVSTJZSA-N 1 2 296.392 2.328 20 5 CEBDLO CCN(CC)C(=O)C[N@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000072557817 343805914 /nfs/dbraw/zinc/80/59/14/343805914.db2.gz LGPJMSFIACVNDG-GFCCVEGCSA-N 1 2 293.367 2.456 20 5 CEBDLO CCN(CC)C(=O)C[N@@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000072557817 343805916 /nfs/dbraw/zinc/80/59/16/343805916.db2.gz LGPJMSFIACVNDG-GFCCVEGCSA-N 1 2 293.367 2.456 20 5 CEBDLO O=[N+]([O-])c1ccccc1C[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000083443668 344077549 /nfs/dbraw/zinc/07/75/49/344077549.db2.gz DHPUSVAIWAHGBW-UHFFFAOYSA-N 1 2 287.323 2.093 20 5 CEBDLO Cc1ccc(C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C2CC2)o1 ZINC000602442108 347034641 /nfs/dbraw/zinc/03/46/41/347034641.db2.gz VHUMGFNQXWZQSK-UHFFFAOYSA-N 1 2 290.323 2.394 20 5 CEBDLO Cc1ccc(C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C2CC2)o1 ZINC000602442108 347034644 /nfs/dbraw/zinc/03/46/44/347034644.db2.gz VHUMGFNQXWZQSK-UHFFFAOYSA-N 1 2 290.323 2.394 20 5 CEBDLO COC(=O)CC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C(C)C ZINC000093383861 344222323 /nfs/dbraw/zinc/22/23/23/344222323.db2.gz WFGYXSUUCHHRNX-UHFFFAOYSA-N 1 2 296.323 2.074 20 5 CEBDLO COC(=O)CC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C(C)C ZINC000093383861 344222324 /nfs/dbraw/zinc/22/23/24/344222324.db2.gz WFGYXSUUCHHRNX-UHFFFAOYSA-N 1 2 296.323 2.074 20 5 CEBDLO C[C@H]1C[NH+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000093503308 344226009 /nfs/dbraw/zinc/22/60/09/344226009.db2.gz NZWUTQVZVJSDAP-UWVGGRQHSA-N 1 2 250.298 2.388 20 5 CEBDLO CCOCC[N@H+](CC)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000092537548 344194797 /nfs/dbraw/zinc/19/47/97/344194797.db2.gz ROZVTQRNKPLGNM-UHFFFAOYSA-N 1 2 268.313 2.159 20 5 CEBDLO CCOCC[N@@H+](CC)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000092537548 344194799 /nfs/dbraw/zinc/19/47/99/344194799.db2.gz ROZVTQRNKPLGNM-UHFFFAOYSA-N 1 2 268.313 2.159 20 5 CEBDLO COc1cc(NCCc2cn(C)c[nH+]2)c([N+](=O)[O-])cc1C ZINC000313486021 344742994 /nfs/dbraw/zinc/74/29/94/344742994.db2.gz OYGJVIRATBGXQN-UHFFFAOYSA-N 1 2 290.323 2.300 20 5 CEBDLO COc1cc(NCc2c[nH+]cn2C)c([N+](=O)[O-])cc1F ZINC000291208726 344685437 /nfs/dbraw/zinc/68/54/37/344685437.db2.gz VCBXTFXXTIHVKU-UHFFFAOYSA-N 1 2 280.259 2.088 20 5 CEBDLO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000449758547 282357301 /nfs/dbraw/zinc/35/73/01/282357301.db2.gz VSOFDTBJDFNSCT-TZMCWYRMSA-N 1 2 280.324 2.348 20 5 CEBDLO C[C@H](CNc1c(Cl)cncc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000589108540 345065905 /nfs/dbraw/zinc/06/59/05/345065905.db2.gz WLSIMESYZHWCGF-SECBINFHSA-N 1 2 295.730 2.010 20 5 CEBDLO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)c2[nH]cc[nH+]2)c1 ZINC000590567663 345145919 /nfs/dbraw/zinc/14/59/19/345145919.db2.gz ASUYWQYXSZQBSH-MRVPVSSYSA-N 1 2 290.279 2.278 20 5 CEBDLO C[C@H](c1ccccc1[N+](=O)[O-])N1CCn2c[nH+]cc2C1 ZINC000590600476 345150346 /nfs/dbraw/zinc/15/03/46/345150346.db2.gz YLWMLSLXHOSDKK-LLVKDONJSA-N 1 2 272.308 2.368 20 5 CEBDLO C[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)c2ncnn21 ZINC000594957442 345716722 /nfs/dbraw/zinc/71/67/22/345716722.db2.gz PCMICIJDIHSCIK-PELKAZGASA-N 1 2 291.286 2.121 20 5 CEBDLO C[C@@H]1C[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c2ncnn21 ZINC000595064064 345738165 /nfs/dbraw/zinc/73/81/65/345738165.db2.gz CNDLSJYZGVUWSA-ICCXJUOJSA-N 1 2 299.334 2.469 20 5 CEBDLO Cc1noc(C[N@H+]2CC[C@H](OCC(C)C)C2)c1[N+](=O)[O-] ZINC000595343179 345765468 /nfs/dbraw/zinc/76/54/68/345765468.db2.gz FVXIGCMRHJJAJX-NSHDSACASA-N 1 2 283.328 2.138 20 5 CEBDLO Cc1noc(C[N@@H+]2CC[C@H](OCC(C)C)C2)c1[N+](=O)[O-] ZINC000595343179 345765469 /nfs/dbraw/zinc/76/54/69/345765469.db2.gz FVXIGCMRHJJAJX-NSHDSACASA-N 1 2 283.328 2.138 20 5 CEBDLO Cc1cc(NCCn2cc[nH+]c2)c([N+](=O)[O-])s1 ZINC000596060569 345930331 /nfs/dbraw/zinc/93/03/31/345930331.db2.gz VGYCFXLJFUEBEY-UHFFFAOYSA-N 1 2 252.299 2.273 20 5 CEBDLO Cc1cc(N(C)Cc2c[nH+]c[nH]2)c(F)cc1[N+](=O)[O-] ZINC000596305409 345995336 /nfs/dbraw/zinc/99/53/36/345995336.db2.gz JARNKFGPTJWRHL-UHFFFAOYSA-N 1 2 264.260 2.402 20 5 CEBDLO Cc1cc(N(C)Cc2c[nH]c[nH+]2)c(F)cc1[N+](=O)[O-] ZINC000596305409 345995339 /nfs/dbraw/zinc/99/53/39/345995339.db2.gz JARNKFGPTJWRHL-UHFFFAOYSA-N 1 2 264.260 2.402 20 5 CEBDLO Cc1ccnc(N[C@H](C)c2[nH+]ccn2C)c1[N+](=O)[O-] ZINC000596541794 346050667 /nfs/dbraw/zinc/05/06/67/346050667.db2.gz GAGYVCRQQHRBPL-SECBINFHSA-N 1 2 261.285 2.205 20 5 CEBDLO Cc1cc(C(=O)N[C@H](C)c2[nH+]ccn2C)cc([N+](=O)[O-])c1 ZINC000598461010 346360444 /nfs/dbraw/zinc/36/04/44/346360444.db2.gz ZDUAUJAEFWRKIT-SNVBAGLBSA-N 1 2 288.307 2.128 20 5 CEBDLO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)CC1(C)COC1 ZINC000599573266 346540608 /nfs/dbraw/zinc/54/06/08/346540608.db2.gz OMIOKZNHAUJMBF-UHFFFAOYSA-N 1 2 286.278 2.341 20 5 CEBDLO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)CC1(C)COC1 ZINC000599573266 346540609 /nfs/dbraw/zinc/54/06/09/346540609.db2.gz OMIOKZNHAUJMBF-UHFFFAOYSA-N 1 2 286.278 2.341 20 5 CEBDLO Cc1c[nH]c(CN(C)Cc2ccccc2[N+](=O)[O-])[nH+]1 ZINC000600112727 346599169 /nfs/dbraw/zinc/59/91/69/346599169.db2.gz SFJLQMCFLGOOTJ-UHFFFAOYSA-N 1 2 260.297 2.258 20 5 CEBDLO CC(C)(CNc1ncc(F)cc1[N+](=O)[O-])n1cc[nH+]c1 ZINC000601197958 346784254 /nfs/dbraw/zinc/78/42/54/346784254.db2.gz ITNGKZCPBSVWDQ-UHFFFAOYSA-N 1 2 279.275 2.173 20 5 CEBDLO CC1(O)C[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000602688657 347148003 /nfs/dbraw/zinc/14/80/03/347148003.db2.gz OCKVNTFYBAWQPR-UHFFFAOYSA-N 1 2 288.303 2.421 20 5 CEBDLO CC1([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)COC1 ZINC000602738643 347180261 /nfs/dbraw/zinc/18/02/61/347180261.db2.gz HDLZNIYMOVTARS-UHFFFAOYSA-N 1 2 256.689 2.127 20 5 CEBDLO Cc1[nH]ncc1C[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000602938748 347252179 /nfs/dbraw/zinc/25/21/79/347252179.db2.gz PWVIOBAKOQMXDI-UHFFFAOYSA-N 1 2 290.323 2.137 20 5 CEBDLO Cc1[nH]ncc1C[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000602938748 347252180 /nfs/dbraw/zinc/25/21/80/347252180.db2.gz PWVIOBAKOQMXDI-UHFFFAOYSA-N 1 2 290.323 2.137 20 5 CEBDLO Cc1[nH]ncc1C[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000602938794 347252378 /nfs/dbraw/zinc/25/23/78/347252378.db2.gz RHNYXRLYOBQCRJ-UHFFFAOYSA-N 1 2 290.323 2.137 20 5 CEBDLO Cc1[nH]ncc1C[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000602938794 347252379 /nfs/dbraw/zinc/25/23/79/347252379.db2.gz RHNYXRLYOBQCRJ-UHFFFAOYSA-N 1 2 290.323 2.137 20 5 CEBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]Cc2cocn2)c1 ZINC000609353933 347636185 /nfs/dbraw/zinc/63/61/85/347636185.db2.gz FNZLVNPTGYNYLF-UHFFFAOYSA-N 1 2 299.233 2.474 20 5 CEBDLO Cc1cc(N2CCC[C@@H](n3cc[nH+]c3)C2)ncc1[N+](=O)[O-] ZINC000610430958 347681278 /nfs/dbraw/zinc/68/12/78/347681278.db2.gz YIQMZQAODMQBFK-GFCCVEGCSA-N 1 2 287.323 2.336 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)CCn1cc[nH+]c1 ZINC000610664574 347699341 /nfs/dbraw/zinc/69/93/41/347699341.db2.gz JABUZNDYEVYCOG-UHFFFAOYSA-N 1 2 288.307 2.437 20 5 CEBDLO CC1(C)[C@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])[C@@H]2CCO[C@@H]21 ZINC000610787943 347715020 /nfs/dbraw/zinc/71/50/20/347715020.db2.gz RJNRHXSITFIJCG-YUTCNCBUSA-N 1 2 292.335 2.204 20 5 CEBDLO Cn1cncc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130082475 365921736 /nfs/dbraw/zinc/92/17/36/365921736.db2.gz XMMFFMGGDMARQL-UHFFFAOYSA-N 1 2 286.335 2.493 20 5 CEBDLO Cn1cncc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130082475 365921749 /nfs/dbraw/zinc/92/17/49/365921749.db2.gz XMMFFMGGDMARQL-UHFFFAOYSA-N 1 2 286.335 2.493 20 5 CEBDLO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000450826165 282788649 /nfs/dbraw/zinc/78/86/49/282788649.db2.gz YXIDFDCXGNWTBB-SCZZXKLOSA-N 1 2 290.327 2.434 20 5 CEBDLO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000450831326 282791424 /nfs/dbraw/zinc/79/14/24/282791424.db2.gz PDTDSVZGDXXDOQ-PSASIEDQSA-N 1 2 290.327 2.434 20 5 CEBDLO CCCC[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)C(=O)OC ZINC000135259810 366417363 /nfs/dbraw/zinc/41/73/63/366417363.db2.gz QDTJCMZNXQMWDG-CQSZACIVSA-N 1 2 294.351 2.459 20 5 CEBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338629223 366447097 /nfs/dbraw/zinc/44/70/97/366447097.db2.gz YIDUHLWPHQEAFL-MFKMUULPSA-N 1 2 268.288 2.062 20 5 CEBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@](F)(CO)C1 ZINC000338629223 366447102 /nfs/dbraw/zinc/44/71/02/366447102.db2.gz YIDUHLWPHQEAFL-MFKMUULPSA-N 1 2 268.288 2.062 20 5 CEBDLO CC[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1[nH]cc[nH+]1 ZINC000140597928 366561638 /nfs/dbraw/zinc/56/16/38/366561638.db2.gz HHILCAYWPSSWBS-ZETCQYMHSA-N 1 2 280.309 2.261 20 5 CEBDLO CCC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC(C)(C)O ZINC000338962794 366593019 /nfs/dbraw/zinc/59/30/19/366593019.db2.gz HEYZUPSIPYHLTG-UHFFFAOYSA-N 1 2 282.340 2.283 20 5 CEBDLO CCC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC(C)(C)O ZINC000338962794 366593024 /nfs/dbraw/zinc/59/30/24/366593024.db2.gz HEYZUPSIPYHLTG-UHFFFAOYSA-N 1 2 282.340 2.283 20 5 CEBDLO C[N@H+](CC[C@H]1CCCO1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339115997 366659356 /nfs/dbraw/zinc/65/93/56/366659356.db2.gz JTVZJYDJRKXAIK-CYBMUJFWSA-N 1 2 280.324 2.301 20 5 CEBDLO C[N@@H+](CC[C@H]1CCCO1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339115997 366659360 /nfs/dbraw/zinc/65/93/60/366659360.db2.gz JTVZJYDJRKXAIK-CYBMUJFWSA-N 1 2 280.324 2.301 20 5 CEBDLO CCc1nnc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000180392969 189252485 /nfs/dbraw/zinc/25/24/85/189252485.db2.gz DWVISRDLLJHIPY-SECBINFHSA-N 1 2 276.296 2.391 20 5 CEBDLO Cc1nn(Cc2cn3ccccc3[nH+]2)c(C)c1[N+](=O)[O-] ZINC000022986437 361592530 /nfs/dbraw/zinc/59/25/30/361592530.db2.gz LBXLCNXQHJWBLQ-UHFFFAOYSA-N 1 2 271.280 2.104 20 5 CEBDLO CN(CCCn1cc[nH+]c1)c1sccc1[N+](=O)[O-] ZINC000302005242 201294863 /nfs/dbraw/zinc/29/48/63/201294863.db2.gz KTKRTKUJFKHFIE-UHFFFAOYSA-N 1 2 266.326 2.379 20 5 CEBDLO CN(C)c1ccc(CNc2ccc([N+](=O)[O-])nc2)c[nH+]1 ZINC000356484617 370727595 /nfs/dbraw/zinc/72/75/95/370727595.db2.gz WWCKOHOOGHEJLL-UHFFFAOYSA-N 1 2 273.296 2.063 20 5 CEBDLO C[C@@H](Nc1ccsc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000609192808 367223356 /nfs/dbraw/zinc/22/33/56/367223356.db2.gz LJDJHCJIZAKAAQ-ZJUUUORDSA-N 1 2 285.369 2.177 20 5 CEBDLO CC(C)[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000330739894 203175443 /nfs/dbraw/zinc/17/54/43/203175443.db2.gz OQMDXDBPMXCMLL-CQSZACIVSA-N 1 2 264.325 2.452 20 5 CEBDLO CC(C)[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000330739894 203175446 /nfs/dbraw/zinc/17/54/46/203175446.db2.gz OQMDXDBPMXCMLL-CQSZACIVSA-N 1 2 264.325 2.452 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccon1 ZINC000349235022 369273188 /nfs/dbraw/zinc/27/31/88/369273188.db2.gz FQWNSSSIBFHGEY-VIFPVBQESA-N 1 2 277.280 2.442 20 5 CEBDLO Cc1ccc(C[N@H+](C)C[C@@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000349421677 369324384 /nfs/dbraw/zinc/32/43/84/369324384.db2.gz SVDNHFSTKBHJFM-LLVKDONJSA-N 1 2 292.257 2.258 20 5 CEBDLO Cc1ccc(C[N@@H+](C)C[C@@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000349421677 369324388 /nfs/dbraw/zinc/32/43/88/369324388.db2.gz SVDNHFSTKBHJFM-LLVKDONJSA-N 1 2 292.257 2.258 20 5 CEBDLO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)[S@@]1=O ZINC000352883122 369931375 /nfs/dbraw/zinc/93/13/75/369931375.db2.gz JAICDSKLKPGRMG-CJAGKMTESA-N 1 2 296.392 2.326 20 5 CEBDLO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)[S@@]1=O ZINC000352883122 369931378 /nfs/dbraw/zinc/93/13/78/369931378.db2.gz JAICDSKLKPGRMG-CJAGKMTESA-N 1 2 296.392 2.326 20 5 CEBDLO CO[C@@H](C)C[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000353255776 370098935 /nfs/dbraw/zinc/09/89/35/370098935.db2.gz PIXKXMBQPPNFGZ-VIFPVBQESA-N 1 2 256.277 2.201 20 5 CEBDLO CO[C@@H](C)C[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000353255776 370098937 /nfs/dbraw/zinc/09/89/37/370098937.db2.gz PIXKXMBQPPNFGZ-VIFPVBQESA-N 1 2 256.277 2.201 20 5 CEBDLO COC(=O)C(C)(C)[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000353170016 370051675 /nfs/dbraw/zinc/05/16/75/370051675.db2.gz QJWMBZSDRATWBA-UHFFFAOYSA-N 1 2 280.324 2.287 20 5 CEBDLO COC(=O)C(C)(C)[N@@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000353170016 370051678 /nfs/dbraw/zinc/05/16/78/370051678.db2.gz QJWMBZSDRATWBA-UHFFFAOYSA-N 1 2 280.324 2.287 20 5 CEBDLO C[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000247980782 371152260 /nfs/dbraw/zinc/15/22/60/371152260.db2.gz WWOGTUIPPALIQD-QWRGUYRKSA-N 1 2 250.298 2.204 20 5 CEBDLO C[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000247980782 371152262 /nfs/dbraw/zinc/15/22/62/371152262.db2.gz WWOGTUIPPALIQD-QWRGUYRKSA-N 1 2 250.298 2.204 20 5 CEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccc2[nH+]ccn21 ZINC000358771047 371213788 /nfs/dbraw/zinc/21/37/88/371213788.db2.gz WNPHYZGMRRIKJR-UHFFFAOYSA-N 1 2 296.286 2.424 20 5 CEBDLO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ncnn2C)cc1[N+](=O)[O-] ZINC000353307169 220019655 /nfs/dbraw/zinc/01/96/55/220019655.db2.gz RBIUQKMAFWFCHD-GHMZBOCLSA-N 1 2 289.339 2.444 20 5 CEBDLO Cc1c(C[N@H+]2CC[S@@](=O)CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000369341670 373390690 /nfs/dbraw/zinc/39/06/90/373390690.db2.gz FDRNRNNKTBZWMN-YBTHPKLGSA-N 1 2 296.392 2.246 20 5 CEBDLO Cc1c(C[N@@H+]2CC[S@@](=O)CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000369341670 373390696 /nfs/dbraw/zinc/39/06/96/373390696.db2.gz FDRNRNNKTBZWMN-YBTHPKLGSA-N 1 2 296.392 2.246 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000277353158 374489757 /nfs/dbraw/zinc/48/97/57/374489757.db2.gz DNBITNQWEVGUEA-ODXCJYRJSA-N 1 2 296.392 2.246 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000277353158 374489764 /nfs/dbraw/zinc/48/97/64/374489764.db2.gz DNBITNQWEVGUEA-ODXCJYRJSA-N 1 2 296.392 2.246 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(NCC2([NH+]3CCOCC3)CC2)c1 ZINC000277427732 374516955 /nfs/dbraw/zinc/51/69/55/374516955.db2.gz MCGPCZNJGALUNK-UHFFFAOYSA-N 1 2 291.351 2.180 20 5 CEBDLO Cc1ccc(C[N@H+]2CC[C@@H](C)[S@](=O)CC2)cc1[N+](=O)[O-] ZINC000277443470 374522357 /nfs/dbraw/zinc/52/23/57/374522357.db2.gz JKZSVHRFANMFQZ-MPBGBICISA-N 1 2 296.392 2.246 20 5 CEBDLO Cc1ccc(C[N@@H+]2CC[C@@H](C)[S@](=O)CC2)cc1[N+](=O)[O-] ZINC000277443470 374522361 /nfs/dbraw/zinc/52/23/61/374522361.db2.gz JKZSVHRFANMFQZ-MPBGBICISA-N 1 2 296.392 2.246 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000282238245 375435267 /nfs/dbraw/zinc/43/52/67/375435267.db2.gz PTRLWNAOCLWSPL-RYUDHWBXSA-N 1 2 291.351 2.127 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000282238245 375435276 /nfs/dbraw/zinc/43/52/76/375435276.db2.gz PTRLWNAOCLWSPL-RYUDHWBXSA-N 1 2 291.351 2.127 20 5 CEBDLO CC(C)C[C@@H]([NH3+])c1noc(-c2cc(O)cc([N+](=O)[O-])c2)n1 ZINC000414617734 375880051 /nfs/dbraw/zinc/88/00/51/375880051.db2.gz LQVIRTXSMPXVJF-LLVKDONJSA-N 1 2 292.295 2.396 20 5 CEBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCO[C@@]3(CCSC3)C2)c1 ZINC000564919775 377506485 /nfs/dbraw/zinc/50/64/85/377506485.db2.gz POHIJWRVVKOASN-AWEZNQCLSA-N 1 2 294.376 2.303 20 5 CEBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCO[C@@]3(CCSC3)C2)c1 ZINC000564919775 377506491 /nfs/dbraw/zinc/50/64/91/377506491.db2.gz POHIJWRVVKOASN-AWEZNQCLSA-N 1 2 294.376 2.303 20 5 CEBDLO C[C@H]1Cc2ccccc2C[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000331961956 377495495 /nfs/dbraw/zinc/49/54/95/377495495.db2.gz KGPBZNJGHHLDAI-NSHDSACASA-N 1 2 286.335 2.275 20 5 CEBDLO C[C@H]1Cc2ccccc2C[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000331961956 377495502 /nfs/dbraw/zinc/49/55/02/377495502.db2.gz KGPBZNJGHHLDAI-NSHDSACASA-N 1 2 286.335 2.275 20 5 CEBDLO CCOc1cccc(NCCc2cn(C)c[nH+]2)c1[N+](=O)[O-] ZINC000313477144 249396259 /nfs/dbraw/zinc/39/62/59/249396259.db2.gz AFJPBDWIMVBKLW-UHFFFAOYSA-N 1 2 290.323 2.382 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@@]3(CCSC3)C2)cc1 ZINC000566176414 377742326 /nfs/dbraw/zinc/74/23/26/377742326.db2.gz IRHPNMWVQJMRHL-AWEZNQCLSA-N 1 2 294.376 2.303 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@@]3(CCSC3)C2)cc1 ZINC000566176414 377742334 /nfs/dbraw/zinc/74/23/34/377742334.db2.gz IRHPNMWVQJMRHL-AWEZNQCLSA-N 1 2 294.376 2.303 20 5 CEBDLO COc1nccnc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000295338873 378111743 /nfs/dbraw/zinc/11/17/43/378111743.db2.gz BDSIJATXPJIHGY-JTQLQIEISA-N 1 2 288.307 2.244 20 5 CEBDLO CCn1cc[nH+]c1CNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000295544930 378205351 /nfs/dbraw/zinc/20/53/51/378205351.db2.gz DAZMWQSGHVZUMV-UHFFFAOYSA-N 1 2 288.307 2.050 20 5 CEBDLO C[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000492815515 380698705 /nfs/dbraw/zinc/69/87/05/380698705.db2.gz XJPQJBPTSRINGK-WWQCOOJYSA-N 1 2 286.291 2.209 20 5 CEBDLO CO[C@H](C)CCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413114534 394485550 /nfs/dbraw/zinc/48/55/50/394485550.db2.gz MLWYSXVTXUIFNR-SNVBAGLBSA-N 1 2 275.308 2.402 20 5 CEBDLO CC(C)Cn1cc[nH+]c1CNc1ccc([N+](=O)[O-])nc1 ZINC000433398539 395230674 /nfs/dbraw/zinc/23/06/74/395230674.db2.gz FTCSCVJUMOLEGY-UHFFFAOYSA-N 1 2 275.312 2.454 20 5 CEBDLO CC1(C)C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CC[C@H]1O ZINC000446075105 395483117 /nfs/dbraw/zinc/48/31/17/395483117.db2.gz VXKOOVCJHRWOPA-CYBMUJFWSA-N 1 2 282.315 2.327 20 5 CEBDLO CC1(C)C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC[C@H]1O ZINC000446075105 395483118 /nfs/dbraw/zinc/48/31/18/395483118.db2.gz VXKOOVCJHRWOPA-CYBMUJFWSA-N 1 2 282.315 2.327 20 5 CEBDLO CC[N@H+](Cc1cn(C)nn1)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000359651910 155097765 /nfs/dbraw/zinc/09/77/65/155097765.db2.gz RPWUSUSJZPCLSR-LLVKDONJSA-N 1 2 289.339 2.306 20 5 CEBDLO CC[N@@H+](Cc1cn(C)nn1)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000359651910 155097771 /nfs/dbraw/zinc/09/77/71/155097771.db2.gz RPWUSUSJZPCLSR-LLVKDONJSA-N 1 2 289.339 2.306 20 5 CEBDLO CCOC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000038887380 174158923 /nfs/dbraw/zinc/15/89/23/174158923.db2.gz BIYVVCTURGEAAR-ZDUSSCGKSA-N 1 2 278.308 2.122 20 5 CEBDLO CCOC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000038887380 174158925 /nfs/dbraw/zinc/15/89/25/174158925.db2.gz BIYVVCTURGEAAR-ZDUSSCGKSA-N 1 2 278.308 2.122 20 5 CEBDLO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)CCO1 ZINC000430200408 271361420 /nfs/dbraw/zinc/36/14/20/271361420.db2.gz WOKFQROPRGLWNT-ZDUSSCGKSA-N 1 2 280.324 2.214 20 5 CEBDLO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)CCO1 ZINC000430200408 271361422 /nfs/dbraw/zinc/36/14/22/271361422.db2.gz WOKFQROPRGLWNT-ZDUSSCGKSA-N 1 2 280.324 2.214 20 5 CEBDLO CC(C)(C)[N@H+](CC(N)=O)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000268486379 277148842 /nfs/dbraw/zinc/14/88/42/277148842.db2.gz MTEHEYNUFNDRCT-UHFFFAOYSA-N 1 2 299.758 2.334 20 5 CEBDLO CC(C)(C)[N@@H+](CC(N)=O)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000268486379 277148844 /nfs/dbraw/zinc/14/88/44/277148844.db2.gz MTEHEYNUFNDRCT-UHFFFAOYSA-N 1 2 299.758 2.334 20 5 CEBDLO C[C@H](C[C@@H]1CCCO1)[NH+]=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000447677620 281855833 /nfs/dbraw/zinc/85/58/33/281855833.db2.gz VMIPJMNWUDRJAQ-KOLCDFICSA-N 1 2 290.323 2.263 20 5 CEBDLO CCOC1(C)C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000459628866 290200098 /nfs/dbraw/zinc/20/00/98/290200098.db2.gz YAPHRSOXJAFZIG-UHFFFAOYSA-N 1 2 250.298 2.206 20 5 CEBDLO Cc1cc(N2CC(n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000537833173 298220253 /nfs/dbraw/zinc/22/02/53/298220253.db2.gz HEDSLSWIDAKBNY-UHFFFAOYSA-N 1 2 258.281 2.161 20 5 CEBDLO Cc1c[nH]c(C(C)(C)NC(=O)c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000567116816 299039102 /nfs/dbraw/zinc/03/91/02/299039102.db2.gz NMCZPDKPGDQVOD-UHFFFAOYSA-N 1 2 288.307 2.291 20 5 CEBDLO C[C@H](Cc1nc(-c2ccc([N+](=O)[O-])o2)no1)n1cc[nH+]c1 ZINC000351443429 313016882 /nfs/dbraw/zinc/01/68/82/313016882.db2.gz FHXHXKFFCZTDOH-MRVPVSSYSA-N 1 2 289.251 2.238 20 5 CEBDLO Cn1c[nH+]cc1CNc1c(F)cccc1[N+](=O)[O-] ZINC000156424025 527511576 /nfs/dbraw/zinc/51/15/76/527511576.db2.gz VKEDDHMDHJGDGJ-UHFFFAOYSA-N 1 2 250.233 2.080 20 5 CEBDLO CC(C)COCC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352705470 528097406 /nfs/dbraw/zinc/09/74/06/528097406.db2.gz JZOSUIGJRATANV-UHFFFAOYSA-N 1 2 294.351 2.462 20 5 CEBDLO CC(C)COCC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352705470 528097410 /nfs/dbraw/zinc/09/74/10/528097410.db2.gz JZOSUIGJRATANV-UHFFFAOYSA-N 1 2 294.351 2.462 20 5 CEBDLO CCn1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000414479067 529171287 /nfs/dbraw/zinc/17/12/87/529171287.db2.gz HIYXUTZXCUNGNY-UHFFFAOYSA-N 1 2 260.297 2.101 20 5 CEBDLO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CN1CCCC1=O ZINC000733294192 574662697 /nfs/dbraw/zinc/66/26/97/574662697.db2.gz WEWNWTYDGXRUDM-UHFFFAOYSA-N 1 2 291.351 2.385 20 5 CEBDLO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)CN1CCCC1=O ZINC000733294192 574662701 /nfs/dbraw/zinc/66/27/01/574662701.db2.gz WEWNWTYDGXRUDM-UHFFFAOYSA-N 1 2 291.351 2.385 20 5 CEBDLO Cc1nn(C[NH+]2C[C@H](C)S[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000743377179 575052125 /nfs/dbraw/zinc/05/21/25/575052125.db2.gz XYOQMDAKHJUTBA-IUCAKERBSA-N 1 2 284.385 2.191 20 5 CEBDLO C[C@@H]([NH2+]Cc1csc(N)n1)c1cccc([N+](=O)[O-])c1 ZINC000902488875 634704997 /nfs/dbraw/zinc/70/49/97/634704997.db2.gz PKLHIEBCVRXKGW-MRVPVSSYSA-N 1 2 278.337 2.484 20 5 CEBDLO C[N@H+](CCc1c[nH]nn1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000821392433 634707992 /nfs/dbraw/zinc/70/79/92/634707992.db2.gz ZKTJDKCTFHHJNL-UHFFFAOYSA-N 1 2 295.730 2.041 20 5 CEBDLO C[N@@H+](CCc1c[nH]nn1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000821392433 634708000 /nfs/dbraw/zinc/70/80/00/634708000.db2.gz ZKTJDKCTFHHJNL-UHFFFAOYSA-N 1 2 295.730 2.041 20 5 CEBDLO C[N@H+](CCc1cn[nH]n1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000821392433 634708006 /nfs/dbraw/zinc/70/80/06/634708006.db2.gz ZKTJDKCTFHHJNL-UHFFFAOYSA-N 1 2 295.730 2.041 20 5 CEBDLO C[N@@H+](CCc1cn[nH]n1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000821392433 634708012 /nfs/dbraw/zinc/70/80/12/634708012.db2.gz ZKTJDKCTFHHJNL-UHFFFAOYSA-N 1 2 295.730 2.041 20 5 CEBDLO Nc1ccc([N+](=O)[O-])c(NCCNc2cccc[nH+]2)c1 ZINC000800846304 631148809 /nfs/dbraw/zinc/14/88/09/631148809.db2.gz JZKHGEFDPUMBLP-UHFFFAOYSA-N 1 2 273.296 2.096 20 5 CEBDLO Cc1cn(C(C)(C)C(=O)Nc2cccc([N+](=O)[O-])c2)c[nH+]1 ZINC000899911124 633097137 /nfs/dbraw/zinc/09/71/37/633097137.db2.gz OCSSYQHFGAVREJ-UHFFFAOYSA-N 1 2 288.307 2.474 20 5 CEBDLO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCCC2(F)F)c1 ZINC000819314222 634136883 /nfs/dbraw/zinc/13/68/83/634136883.db2.gz UUHFAFODBJOSGJ-RYUDHWBXSA-N 1 2 286.278 2.406 20 5 CEBDLO Cc1ccc(COC(=O)[C@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000835479037 638273826 /nfs/dbraw/zinc/27/38/26/638273826.db2.gz FRCYAFCDDYAVPU-CYBMUJFWSA-N 1 2 292.335 2.431 20 5 CEBDLO Cc1ccc(COC(=O)[C@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000835479037 638273832 /nfs/dbraw/zinc/27/38/32/638273832.db2.gz FRCYAFCDDYAVPU-CYBMUJFWSA-N 1 2 292.335 2.431 20 5 CEBDLO CC(C)(O)C1C[NH+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000839141017 644172291 /nfs/dbraw/zinc/17/22/91/644172291.db2.gz XNVIKCIGFHMOKQ-UHFFFAOYSA-N 1 2 284.743 2.451 20 5 CEBDLO Cc1cnc(OCc2cc[nH+]c(N(C)C)c2)c([N+](=O)[O-])c1 ZINC000782113167 647590393 /nfs/dbraw/zinc/59/03/93/647590393.db2.gz WXUKKQYFNMQXSY-UHFFFAOYSA-N 1 2 288.307 2.338 20 5 CEBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782614840 647644437 /nfs/dbraw/zinc/64/44/37/647644437.db2.gz GMMICETULWGTRG-GXFFZTMASA-N 1 2 282.727 2.062 20 5 CEBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782614840 647644441 /nfs/dbraw/zinc/64/44/41/647644441.db2.gz GMMICETULWGTRG-GXFFZTMASA-N 1 2 282.727 2.062 20 5 CEBDLO CC1CC[NH+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)CC1 ZINC000794616101 648894481 /nfs/dbraw/zinc/89/44/81/648894481.db2.gz IDVFIGQRJZRAQT-UHFFFAOYSA-N 1 2 291.307 2.192 20 5 CEBDLO C[C@H]([NH2+]C[C@@H](O)C(F)(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872025036 649244180 /nfs/dbraw/zinc/24/41/80/649244180.db2.gz YJTPFXWNFVAMGV-IMTBSYHQSA-N 1 2 296.220 2.308 20 5 CEBDLO COc1c(F)cc(NCc2cc[nH+]c(N)c2)cc1[N+](=O)[O-] ZINC001167616284 803202689 /nfs/dbraw/zinc/20/26/89/803202689.db2.gz DLWRXUOEQRRNPV-UHFFFAOYSA-N 1 2 292.270 2.332 20 5 CEBDLO C[C@@H]([NH2+]CC[N+](=O)[O-])c1nc(C(C)(C)C)cs1 ZINC001119734301 815155227 /nfs/dbraw/zinc/15/52/27/815155227.db2.gz DMNLPIUOCGFISV-MRVPVSSYSA-N 1 2 257.359 2.368 20 5 CEBDLO C[C@H]([NH2+]CC[N+](=O)[O-])c1nc2ccccc2n1C(F)F ZINC001119839107 815163741 /nfs/dbraw/zinc/16/37/41/815163741.db2.gz WKFVNTYJLSUXLR-QMMMGPOBSA-N 1 2 284.266 2.359 20 5 CEBDLO C[NH+](C)Cc1csc(CNc2ncc([N+](=O)[O-])s2)n1 ZINC000722379823 810928733 /nfs/dbraw/zinc/92/87/33/810928733.db2.gz CNUYPPVLRPPSPB-UHFFFAOYSA-N 1 2 299.381 2.182 20 5 CEBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])CN1C(=O)CC1(C)C ZINC001117135274 814903074 /nfs/dbraw/zinc/90/30/74/814903074.db2.gz KGTIJYUSLJYPFX-UHFFFAOYSA-N 1 2 291.351 2.038 20 5 CEBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CN1C(=O)CC1(C)C ZINC001117135274 814903080 /nfs/dbraw/zinc/90/30/80/814903080.db2.gz KGTIJYUSLJYPFX-UHFFFAOYSA-N 1 2 291.351 2.038 20 5 CEBDLO O=C(Nc1ccc2c[nH+]cn2c1)c1ccc([N+](=O)[O-])cc1O ZINC001179310156 816849318 /nfs/dbraw/zinc/84/93/18/816849318.db2.gz OGYIVJGBXKDEFM-UHFFFAOYSA-N 1 2 298.258 2.200 20 5 CEBDLO C[C@H]([NH2+][C@H](C(N)=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000126116871 187218085 /nfs/dbraw/zinc/21/80/85/187218085.db2.gz UFPWBZGLLXVHSW-NHYWBVRUSA-N 1 2 299.330 2.472 20 5 CEBDLO CC[C@@H](C)NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599452 362184921 /nfs/dbraw/zinc/18/49/21/362184921.db2.gz ZWCSUDOUNBEGDV-VXGBXAGGSA-N 1 2 293.367 2.330 20 5 CEBDLO CC[C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599452 362184923 /nfs/dbraw/zinc/18/49/23/362184923.db2.gz ZWCSUDOUNBEGDV-VXGBXAGGSA-N 1 2 293.367 2.330 20 5 CEBDLO Cc1[nH+]c2ccccn2c1Cn1cc([N+](=O)[O-])cc(C)c1=O ZINC000127314178 365741724 /nfs/dbraw/zinc/74/17/24/365741724.db2.gz HKBOTQQOTYXUME-UHFFFAOYSA-N 1 2 298.302 2.069 20 5 CEBDLO O=[N+]([O-])c1ccc(SCC[NH+]2CCOCC2)cc1 ZINC000091425341 344162444 /nfs/dbraw/zinc/16/24/44/344162444.db2.gz XDRMPTVWFQJTIH-UHFFFAOYSA-N 1 2 268.338 2.019 20 5 CEBDLO COCC1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000093103431 344214009 /nfs/dbraw/zinc/21/40/09/344214009.db2.gz MNTUCJWVTPHSFZ-UHFFFAOYSA-N 1 2 280.324 2.159 20 5 CEBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1[nH]cc[nH+]1 ZINC000094130622 344233863 /nfs/dbraw/zinc/23/38/63/344233863.db2.gz VSPCLUATSVAINR-UHFFFAOYSA-N 1 2 288.307 2.173 20 5 CEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC(O)CC2)c(Cl)c1 ZINC000050103609 362400812 /nfs/dbraw/zinc/40/08/12/362400812.db2.gz KRIQXNWBRIENDW-UHFFFAOYSA-N 1 2 270.716 2.205 20 5 CEBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@@](F)(CO)C1 ZINC000338998937 214887260 /nfs/dbraw/zinc/88/72/60/214887260.db2.gz INBHXWNIQFRRNW-MFBWXBCUSA-N 1 2 280.299 2.014 20 5 CEBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338998937 214887262 /nfs/dbraw/zinc/88/72/62/214887262.db2.gz INBHXWNIQFRRNW-MFBWXBCUSA-N 1 2 280.299 2.014 20 5 CEBDLO COc1cc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])on1 ZINC000595289947 345755416 /nfs/dbraw/zinc/75/54/16/345755416.db2.gz RPMAIOKACMFWMO-UHFFFAOYSA-N 1 2 277.280 2.223 20 5 CEBDLO COc1cc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])on1 ZINC000595289947 345755418 /nfs/dbraw/zinc/75/54/18/345755418.db2.gz RPMAIOKACMFWMO-UHFFFAOYSA-N 1 2 277.280 2.223 20 5 CEBDLO C[C@@H]1C[NH+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1=O ZINC000595715097 345858792 /nfs/dbraw/zinc/85/87/92/345858792.db2.gz QTEBTOZUZQZYMK-VXGBXAGGSA-N 1 2 292.335 2.131 20 5 CEBDLO Cc1noc(C[N@H+]2CC3(CCCC3)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000595810678 345881782 /nfs/dbraw/zinc/88/17/82/345881782.db2.gz ZUMVAAKJMDBKAM-JTQLQIEISA-N 1 2 295.339 2.425 20 5 CEBDLO Cc1noc(C[N@@H+]2CC3(CCCC3)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000595810678 345881784 /nfs/dbraw/zinc/88/17/84/345881784.db2.gz ZUMVAAKJMDBKAM-JTQLQIEISA-N 1 2 295.339 2.425 20 5 CEBDLO Cc1cc(-n2c[nH+]c(CCCO)c2)c([N+](=O)[O-])s1 ZINC000596120972 345944544 /nfs/dbraw/zinc/94/45/44/345944544.db2.gz GVOSSYGAGWJZNN-UHFFFAOYSA-N 1 2 267.310 2.075 20 5 CEBDLO C[C@H]1C[C@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])c2[nH+]ccn21 ZINC000596257861 345982965 /nfs/dbraw/zinc/98/29/65/345982965.db2.gz RZUICHLWOXJKHX-CBAPKCEASA-N 1 2 275.268 2.010 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000597668748 346213429 /nfs/dbraw/zinc/21/34/29/346213429.db2.gz ZEHSPCMUIWVENC-UHFFFAOYSA-N 1 2 291.351 2.492 20 5 CEBDLO Cc1cc(C(=O)N[C@@H](C)c2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000598460971 346360499 /nfs/dbraw/zinc/36/04/99/346360499.db2.gz YHYVXZZDJGGJRE-JTQLQIEISA-N 1 2 288.307 2.128 20 5 CEBDLO Cc1nccnc1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000598677826 346399335 /nfs/dbraw/zinc/39/93/35/346399335.db2.gz BBGOAVGWGOSMQH-UHFFFAOYSA-N 1 2 272.308 2.325 20 5 CEBDLO Cc1nccnc1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000598677826 346399338 /nfs/dbraw/zinc/39/93/38/346399338.db2.gz BBGOAVGWGOSMQH-UHFFFAOYSA-N 1 2 272.308 2.325 20 5 CEBDLO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000599000365 346444823 /nfs/dbraw/zinc/44/48/23/346444823.db2.gz SFGBNBZZARGAEO-LFNDISMMSA-N 1 2 280.324 2.202 20 5 CEBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCCOCC1 ZINC000599035724 346449950 /nfs/dbraw/zinc/44/99/50/346449950.db2.gz MVXNIANOYGWKAI-UHFFFAOYSA-N 1 2 273.292 2.370 20 5 CEBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC[C@@H](O)CC1 ZINC000599087335 346458760 /nfs/dbraw/zinc/45/87/60/346458760.db2.gz ZOQAOPCNIMAFKI-GFCCVEGCSA-N 1 2 287.319 2.494 20 5 CEBDLO CN(C[C@H]1C[C@@H](O)C1)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599177357 346473969 /nfs/dbraw/zinc/47/39/69/346473969.db2.gz RMUNFKRTFAZCLW-KLPPZKSPSA-N 1 2 287.319 2.350 20 5 CEBDLO C[C@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1O ZINC000351751973 219194968 /nfs/dbraw/zinc/19/49/68/219194968.db2.gz BFFUMMXUTOTOIM-ISVAXAHUSA-N 1 2 286.278 2.076 20 5 CEBDLO C[C@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1O ZINC000351751973 219194971 /nfs/dbraw/zinc/19/49/71/219194971.db2.gz BFFUMMXUTOTOIM-ISVAXAHUSA-N 1 2 286.278 2.076 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@H](CCF)C1 ZINC000600206486 346623022 /nfs/dbraw/zinc/62/30/22/346623022.db2.gz ZKPVIRJSGKQUIZ-CQSZACIVSA-N 1 2 282.315 2.464 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@H](CCF)C1 ZINC000600206486 346623023 /nfs/dbraw/zinc/62/30/23/346623023.db2.gz ZKPVIRJSGKQUIZ-CQSZACIVSA-N 1 2 282.315 2.464 20 5 CEBDLO C[C@H]1C[C@@H](Nc2ncc(F)cc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000601171701 346777062 /nfs/dbraw/zinc/77/70/62/346777062.db2.gz OFOKYZJWZNEHJM-IONNQARKSA-N 1 2 277.259 2.443 20 5 CEBDLO CC(C)OC(=O)[C@@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000129542185 365870439 /nfs/dbraw/zinc/87/04/39/365870439.db2.gz PHBZFJHOVIPXAG-LLVKDONJSA-N 1 2 280.324 2.367 20 5 CEBDLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000129542185 365870443 /nfs/dbraw/zinc/87/04/43/365870443.db2.gz PHBZFJHOVIPXAG-LLVKDONJSA-N 1 2 280.324 2.367 20 5 CEBDLO Cn1cc(C[N@@H+]2CCC[C@H]2c2cccnc2)c([N+](=O)[O-])n1 ZINC000602659643 347128730 /nfs/dbraw/zinc/12/87/30/347128730.db2.gz PZUFGJXIUXGWKQ-ZDUSSCGKSA-N 1 2 287.323 2.060 20 5 CEBDLO Cn1cc(C[N@H+]2CCC[C@H]2c2cccnc2)c([N+](=O)[O-])n1 ZINC000602659643 347128732 /nfs/dbraw/zinc/12/87/32/347128732.db2.gz PZUFGJXIUXGWKQ-ZDUSSCGKSA-N 1 2 287.323 2.060 20 5 CEBDLO CCC(F)(F)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000602818712 347212788 /nfs/dbraw/zinc/21/27/88/347212788.db2.gz NTYAGZVZZQHONN-UHFFFAOYSA-N 1 2 288.298 2.474 20 5 CEBDLO COC[C@@H]1CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000339279745 215061549 /nfs/dbraw/zinc/06/15/49/215061549.db2.gz FEDGICIEMGJCQJ-NSHDSACASA-N 1 2 270.716 2.469 20 5 CEBDLO COC[C@@H]1CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000339279745 215061551 /nfs/dbraw/zinc/06/15/51/215061551.db2.gz FEDGICIEMGJCQJ-NSHDSACASA-N 1 2 270.716 2.469 20 5 CEBDLO CN(C)c1ccc(Nc2cccnc2[N+](=O)[O-])c[nH+]1 ZINC000603845320 347391578 /nfs/dbraw/zinc/39/15/78/347391578.db2.gz YWHDXCZMFKEIFP-UHFFFAOYSA-N 1 2 259.269 2.194 20 5 CEBDLO Cc1cn2cc(NC(=O)c3cc([N+](=O)[O-])cn3C)ccc2[nH+]1 ZINC000608878963 347623079 /nfs/dbraw/zinc/62/30/79/347623079.db2.gz NJHPXKSABJDKPZ-UHFFFAOYSA-N 1 2 299.290 2.142 20 5 CEBDLO O=[N+]([O-])c1ccc(N2CCC[C@H](n3cc[nH+]c3)C2)nc1 ZINC000609132952 347626777 /nfs/dbraw/zinc/62/67/77/347626777.db2.gz YRBHCHRNCYULAD-LBPRGKRZSA-N 1 2 273.296 2.028 20 5 CEBDLO Cc1ccc(NCC[N@H+]2CCOC[C@H]2C)c([N+](=O)[O-])c1 ZINC000610468609 347682736 /nfs/dbraw/zinc/68/27/36/347682736.db2.gz SGZOPNSVOQUPPB-GFCCVEGCSA-N 1 2 279.340 2.036 20 5 CEBDLO Cc1ccc(NCC[N@@H+]2CCOC[C@H]2C)c([N+](=O)[O-])c1 ZINC000610468609 347682737 /nfs/dbraw/zinc/68/27/37/347682737.db2.gz SGZOPNSVOQUPPB-GFCCVEGCSA-N 1 2 279.340 2.036 20 5 CEBDLO O=[N+]([O-])c1cc(F)ccc1NCCn1cc[nH+]c1 ZINC000130237041 365936351 /nfs/dbraw/zinc/93/63/51/365936351.db2.gz GNHCVQQEYMKCLS-UHFFFAOYSA-N 1 2 250.233 2.043 20 5 CEBDLO O=C(C=Cc1c[nH]c[nH+]1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000493667486 290889400 /nfs/dbraw/zinc/88/94/00/290889400.db2.gz XOMPIAMVBLYJMS-UPHRSURJSA-N 1 2 276.227 2.109 20 5 CEBDLO O=[N+]([O-])c1ccc(NCCc2cn3ccccc3[nH+]2)cn1 ZINC000073770240 363246791 /nfs/dbraw/zinc/24/67/91/363246791.db2.gz FVFSCSILZRVDPZ-UHFFFAOYSA-N 1 2 283.291 2.292 20 5 CEBDLO Cc1cc(F)c(NCc2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000296830236 200008502 /nfs/dbraw/zinc/00/85/02/200008502.db2.gz MNGLTZXPKATVEK-UHFFFAOYSA-N 1 2 264.260 2.388 20 5 CEBDLO C[C@H]1CCC[C@H](CO)[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339040352 366627981 /nfs/dbraw/zinc/62/79/81/366627981.db2.gz BBJUCOVJXZAXSE-CMPLNLGQSA-N 1 2 280.324 2.036 20 5 CEBDLO C[C@H]1CCC[C@H](CO)[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339040352 366627984 /nfs/dbraw/zinc/62/79/84/366627984.db2.gz BBJUCOVJXZAXSE-CMPLNLGQSA-N 1 2 280.324 2.036 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1CN1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000339064309 366637243 /nfs/dbraw/zinc/63/72/43/366637243.db2.gz DZIGOOGEVSITND-ZDUSSCGKSA-N 1 2 288.307 2.361 20 5 CEBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc2c[nH+]cn2c1 ZINC000339959203 366728611 /nfs/dbraw/zinc/72/86/11/366728611.db2.gz PWJIUGKRMGBYPP-UHFFFAOYSA-N 1 2 298.258 2.200 20 5 CEBDLO Cc1cc(N[C@H]2CCN(c3cccc[nH+]3)C2)ncc1[N+](=O)[O-] ZINC000301779606 201191927 /nfs/dbraw/zinc/19/19/27/201191927.db2.gz QSTRYBKCFPVQMP-LBPRGKRZSA-N 1 2 299.334 2.384 20 5 CEBDLO COc1ccc(C[N@@H+]2CCOC[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000090007303 364031798 /nfs/dbraw/zinc/03/17/98/364031798.db2.gz KVZYDDZFSOMREC-AWEZNQCLSA-N 1 2 292.335 2.214 20 5 CEBDLO COc1ccc(C[N@H+]2CCOC[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000090007303 364031804 /nfs/dbraw/zinc/03/18/04/364031804.db2.gz KVZYDDZFSOMREC-AWEZNQCLSA-N 1 2 292.335 2.214 20 5 CEBDLO Cn1cccc1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000093338410 364167969 /nfs/dbraw/zinc/16/79/69/364167969.db2.gz NXNULFSQHVSNDZ-UHFFFAOYSA-N 1 2 271.320 2.492 20 5 CEBDLO Cn1cccc1C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000093338410 364167975 /nfs/dbraw/zinc/16/79/75/364167975.db2.gz NXNULFSQHVSNDZ-UHFFFAOYSA-N 1 2 271.320 2.492 20 5 CEBDLO Cc1nn(C)cc1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000093338231 364168354 /nfs/dbraw/zinc/16/83/54/364168354.db2.gz LWCAEGBUWJJHLO-UHFFFAOYSA-N 1 2 286.335 2.195 20 5 CEBDLO Cc1nn(C)cc1C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000093338231 364168358 /nfs/dbraw/zinc/16/83/58/364168358.db2.gz LWCAEGBUWJJHLO-UHFFFAOYSA-N 1 2 286.335 2.195 20 5 CEBDLO C[C@H]([NH2+]Cc1ccn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000112343158 364796146 /nfs/dbraw/zinc/79/61/46/364796146.db2.gz JYOYLJFWJCCHPW-JTQLQIEISA-N 1 2 260.297 2.179 20 5 CEBDLO C[C@@]([NH2+]Cc1ccccc1[N+](=O)[O-])(C(N)=O)c1ccccc1 ZINC000120007711 365359964 /nfs/dbraw/zinc/35/99/64/365359964.db2.gz KTTGEQLIUIRMGI-INIZCTEOSA-N 1 2 299.330 2.085 20 5 CEBDLO C[C@]([NH2+]Cc1ccccc1[N+](=O)[O-])(C(N)=O)c1ccccc1 ZINC000120007552 365360189 /nfs/dbraw/zinc/36/01/89/365360189.db2.gz KTTGEQLIUIRMGI-MRXNPFEDSA-N 1 2 299.330 2.085 20 5 CEBDLO Cc1noc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000340427511 366881497 /nfs/dbraw/zinc/88/14/97/366881497.db2.gz QTCNLTHELWGMNO-QMMMGPOBSA-N 1 2 262.269 2.137 20 5 CEBDLO C[C@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CCCO1 ZINC000171670362 367587957 /nfs/dbraw/zinc/58/79/57/367587957.db2.gz NWKIBTZMLYIJOP-JTQLQIEISA-N 1 2 268.288 2.345 20 5 CEBDLO C[C@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CCCO1 ZINC000171670362 367587962 /nfs/dbraw/zinc/58/79/62/367587962.db2.gz NWKIBTZMLYIJOP-JTQLQIEISA-N 1 2 268.288 2.345 20 5 CEBDLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cc([N+](=O)[O-])c[nH]1 ZINC000343275450 367739306 /nfs/dbraw/zinc/73/93/06/367739306.db2.gz KOMVWURNUODMPM-UHFFFAOYSA-N 1 2 297.274 2.361 20 5 CEBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccn(C)n1 ZINC000345845492 368451500 /nfs/dbraw/zinc/45/15/00/368451500.db2.gz ZHUARMRQORMYDD-UHFFFAOYSA-N 1 2 290.323 2.017 20 5 CEBDLO C[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000330609230 203035198 /nfs/dbraw/zinc/03/51/98/203035198.db2.gz NOQMVINCVKDKKF-SNVBAGLBSA-N 1 2 280.324 2.300 20 5 CEBDLO C[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000330609230 203035201 /nfs/dbraw/zinc/03/52/01/203035201.db2.gz NOQMVINCVKDKKF-SNVBAGLBSA-N 1 2 280.324 2.300 20 5 CEBDLO O=[N+]([O-])c1ccccc1C[NH2+][C@@H](CCO)c1ccco1 ZINC000185122697 368752317 /nfs/dbraw/zinc/75/23/17/368752317.db2.gz WFMXUXRQTBHPLL-LBPRGKRZSA-N 1 2 276.292 2.401 20 5 CEBDLO COc1cc(C[N@H+](C)Cc2cnccn2)ccc1[N+](=O)[O-] ZINC000352540306 369778762 /nfs/dbraw/zinc/77/87/62/369778762.db2.gz JLAZOYLMGKUJLX-UHFFFAOYSA-N 1 2 288.307 2.025 20 5 CEBDLO COc1cc(C[N@@H+](C)Cc2cnccn2)ccc1[N+](=O)[O-] ZINC000352540306 369778763 /nfs/dbraw/zinc/77/87/63/369778763.db2.gz JLAZOYLMGKUJLX-UHFFFAOYSA-N 1 2 288.307 2.025 20 5 CEBDLO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC(F)(F)CO)CCC2 ZINC000193296516 369919999 /nfs/dbraw/zinc/91/99/99/369919999.db2.gz LXKQNMCAGKCDGM-LBPRGKRZSA-N 1 2 286.278 2.189 20 5 CEBDLO COC(=O)C(C)(C)[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000353156438 370045129 /nfs/dbraw/zinc/04/51/29/370045129.db2.gz RMZMITBVAUKCMT-VQHVLOKHSA-N 1 2 292.335 2.491 20 5 CEBDLO COC(=O)C(C)(C)[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000353156438 370045132 /nfs/dbraw/zinc/04/51/32/370045132.db2.gz RMZMITBVAUKCMT-VQHVLOKHSA-N 1 2 292.335 2.491 20 5 CEBDLO O=[N+]([O-])c1cccc2c(NCCn3cc[nH+]c3)ccnc21 ZINC000214744760 370171649 /nfs/dbraw/zinc/17/16/49/370171649.db2.gz GDULGFAECQTJLE-UHFFFAOYSA-N 1 2 283.291 2.452 20 5 CEBDLO O=C(Nc1cccc2[nH+]ccn21)c1ccc([N+](=O)[O-])o1 ZINC000358774015 371214658 /nfs/dbraw/zinc/21/46/58/371214658.db2.gz BFMYJIANEMCIJH-UHFFFAOYSA-N 1 2 272.220 2.088 20 5 CEBDLO COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000275040789 374136399 /nfs/dbraw/zinc/13/63/99/374136399.db2.gz YBDCUBLPJJKTOL-RISCZKNCSA-N 1 2 292.335 2.368 20 5 CEBDLO COC(=O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000275040789 374136402 /nfs/dbraw/zinc/13/64/02/374136402.db2.gz YBDCUBLPJJKTOL-RISCZKNCSA-N 1 2 292.335 2.368 20 5 CEBDLO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3nccs3)CC2)n1 ZINC000373274566 374313245 /nfs/dbraw/zinc/31/32/45/374313245.db2.gz MVAGRDDJGRJQJI-UHFFFAOYSA-N 1 2 293.352 2.085 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000277461388 374528107 /nfs/dbraw/zinc/52/81/07/374528107.db2.gz LJFXPTMUUQQJCO-GIPWTMENSA-N 1 2 296.392 2.104 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000277461388 374528112 /nfs/dbraw/zinc/52/81/12/374528112.db2.gz LJFXPTMUUQQJCO-GIPWTMENSA-N 1 2 296.392 2.104 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC[C@H]2CC(F)F)cc1 ZINC000286484526 375969396 /nfs/dbraw/zinc/96/93/96/375969396.db2.gz OPBXQSMTCKELKG-GFCCVEGCSA-N 1 2 286.278 2.451 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCOC[C@H]2CC(F)F)cc1 ZINC000286484526 375969401 /nfs/dbraw/zinc/96/94/01/375969401.db2.gz OPBXQSMTCKELKG-GFCCVEGCSA-N 1 2 286.278 2.451 20 5 CEBDLO Cc1nn(C)c(NCCCc2cccc(C)[nH+]2)c1[N+](=O)[O-] ZINC000286576997 376001091 /nfs/dbraw/zinc/00/10/91/376001091.db2.gz MQOALRUALHQUOI-UHFFFAOYSA-N 1 2 289.339 2.385 20 5 CEBDLO C[C@H](Cn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])c(N)c1F ZINC000290511372 376812872 /nfs/dbraw/zinc/81/28/72/376812872.db2.gz LTRWRCRAIMMGRY-MRVPVSSYSA-N 1 2 279.275 2.013 20 5 CEBDLO CC[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H](C)CO ZINC000293350665 377530768 /nfs/dbraw/zinc/53/07/68/377530768.db2.gz HUBIOYDRERQYKJ-QMMMGPOBSA-N 1 2 274.267 2.076 20 5 CEBDLO CC[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H](C)CO ZINC000293350665 377530775 /nfs/dbraw/zinc/53/07/75/377530775.db2.gz HUBIOYDRERQYKJ-QMMMGPOBSA-N 1 2 274.267 2.076 20 5 CEBDLO C[C@@H](C[C@@H]1CCCO1)[NH+]=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000447677623 378131735 /nfs/dbraw/zinc/13/17/35/378131735.db2.gz VMIPJMNWUDRJAQ-ONGXEEELSA-N 1 2 290.323 2.263 20 5 CEBDLO CCc1nn(C)c(N[C@H](C)c2[nH+]ccn2CC)c1[N+](=O)[O-] ZINC000450828349 378600151 /nfs/dbraw/zinc/60/01/51/378600151.db2.gz KCJNYEHKUYAGTI-SECBINFHSA-N 1 2 292.343 2.280 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(N(C)[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000278835567 194176471 /nfs/dbraw/zinc/17/64/71/194176471.db2.gz KNGNSQKHTWUZIS-ZDUSSCGKSA-N 1 2 293.367 2.060 20 5 CEBDLO C[N@@H+]1CCO[C@H](CSc2ccccc2[N+](=O)[O-])C1 ZINC000519597749 379443371 /nfs/dbraw/zinc/44/33/71/379443371.db2.gz MYWSWHQSDKDYIL-JTQLQIEISA-N 1 2 268.338 2.018 20 5 CEBDLO C[N@H+]1CCO[C@H](CSc2ccccc2[N+](=O)[O-])C1 ZINC000519597749 379443381 /nfs/dbraw/zinc/44/33/81/379443381.db2.gz MYWSWHQSDKDYIL-JTQLQIEISA-N 1 2 268.338 2.018 20 5 CEBDLO C[C@@H]1C[C@@H](C)[NH+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000548424276 380514307 /nfs/dbraw/zinc/51/43/07/380514307.db2.gz FRVKRMCKNNWSCV-NXEZZACHSA-N 1 2 263.297 2.016 20 5 CEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N[C@@H]3CC[S@@](=O)C3)c2c1 ZINC000413158849 394494896 /nfs/dbraw/zinc/49/48/96/394494896.db2.gz AKCTTYNOPKUERO-CFMSYZGJSA-N 1 2 291.332 2.076 20 5 CEBDLO CC(C)NC(=O)C[N@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000266685866 394668012 /nfs/dbraw/zinc/66/80/12/394668012.db2.gz UJQDUAGQSZENAW-NSHDSACASA-N 1 2 279.340 2.112 20 5 CEBDLO CC(C)NC(=O)C[N@@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000266685866 394668015 /nfs/dbraw/zinc/66/80/15/394668015.db2.gz UJQDUAGQSZENAW-NSHDSACASA-N 1 2 279.340 2.112 20 5 CEBDLO Cc1sc(C(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000356839134 394627651 /nfs/dbraw/zinc/62/76/51/394627651.db2.gz CWHVAMYEZRQFCQ-RKDXNWHRSA-N 1 2 297.380 2.129 20 5 CEBDLO Cc1sc(C(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000356839134 394627653 /nfs/dbraw/zinc/62/76/53/394627653.db2.gz CWHVAMYEZRQFCQ-RKDXNWHRSA-N 1 2 297.380 2.129 20 5 CEBDLO CC(C)C[C@H](CO)[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339098479 394942922 /nfs/dbraw/zinc/94/29/22/394942922.db2.gz IISAGUSDTPZOAL-GFCCVEGCSA-N 1 2 282.340 2.139 20 5 CEBDLO CC(C)C[C@H](CO)[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339098479 394942927 /nfs/dbraw/zinc/94/29/27/394942927.db2.gz IISAGUSDTPZOAL-GFCCVEGCSA-N 1 2 282.340 2.139 20 5 CEBDLO CO[C@H]1C[C@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C1(C)C ZINC000344695917 286111301 /nfs/dbraw/zinc/11/13/01/286111301.db2.gz MZGASHCCLHKELN-STQMWFEESA-N 1 2 280.324 2.204 20 5 CEBDLO Cc1csc(C(C)(C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)n1 ZINC000357100508 154378439 /nfs/dbraw/zinc/37/84/39/154378439.db2.gz NZIAZHCASUCFTK-UHFFFAOYSA-N 1 2 295.368 2.118 20 5 CEBDLO O=C(CC[N@@H+]1CCC=C(F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000359513180 155038863 /nfs/dbraw/zinc/03/88/63/155038863.db2.gz FHNYNHFCYNHMDX-UHFFFAOYSA-N 1 2 293.298 2.483 20 5 CEBDLO O=C(CC[N@H+]1CCC=C(F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000359513180 155038869 /nfs/dbraw/zinc/03/88/69/155038869.db2.gz FHNYNHFCYNHMDX-UHFFFAOYSA-N 1 2 293.298 2.483 20 5 CEBDLO Cc1cc(NCCc2ccc([N+](=O)[O-])cc2)nc[nH+]1 ZINC000040727464 174387822 /nfs/dbraw/zinc/38/78/22/174387822.db2.gz AVIZMJWLEQNSBD-UHFFFAOYSA-N 1 2 258.281 2.348 20 5 CEBDLO O=[N+]([O-])c1cnc(NCCCCn2cc[nH+]c2)s1 ZINC000226771895 270310534 /nfs/dbraw/zinc/31/05/34/270310534.db2.gz PUYCRZLFSSMDSW-UHFFFAOYSA-N 1 2 267.314 2.140 20 5 CEBDLO CCOC[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C(C)C ZINC000339183337 270337268 /nfs/dbraw/zinc/33/72/68/270337268.db2.gz DHVYIMAODNTVTO-CYBMUJFWSA-N 1 2 282.340 2.451 20 5 CEBDLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000392369966 270340405 /nfs/dbraw/zinc/34/04/05/270340405.db2.gz KMLODGDDOKIBSU-DTWKUNHWSA-N 1 2 275.312 2.433 20 5 CEBDLO CC[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000442816410 271836409 /nfs/dbraw/zinc/83/64/09/271836409.db2.gz XWQAGOHEOZNVMU-MRVPVSSYSA-N 1 2 280.309 2.261 20 5 CEBDLO CCn1cc[nH+]c1/C=C/C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000158664684 289238813 /nfs/dbraw/zinc/23/88/13/289238813.db2.gz GYSBPVGACZFIDK-BQYQJAHWSA-N 1 2 286.291 2.463 20 5 CEBDLO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)c2[nH+]ccn21 ZINC000456356112 289595897 /nfs/dbraw/zinc/59/58/97/289595897.db2.gz RZUWCKVMOYRMSS-SKDRFNHKSA-N 1 2 286.291 2.227 20 5 CEBDLO COCc1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)no1 ZINC000459534604 290172438 /nfs/dbraw/zinc/17/24/38/290172438.db2.gz WRHOFLJNSIGLRV-UHFFFAOYSA-N 1 2 291.307 2.327 20 5 CEBDLO COCC1(C)C[NH+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000459624256 290198402 /nfs/dbraw/zinc/19/84/02/290198402.db2.gz SNEJDSKTBRAKRZ-UHFFFAOYSA-N 1 2 256.327 2.125 20 5 CEBDLO CCSCC[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000459625187 290198893 /nfs/dbraw/zinc/19/88/93/290198893.db2.gz XIEJHZXJQAWSKD-UHFFFAOYSA-N 1 2 282.365 2.411 20 5 CEBDLO CNc1ccc(Nc2c3ccccc3ncc2[N+](=O)[O-])c[nH+]1 ZINC000488062851 290376534 /nfs/dbraw/zinc/37/65/34/290376534.db2.gz HWMUSQJCHLXVJN-UHFFFAOYSA-N 1 2 295.302 2.167 20 5 CEBDLO Cc1cc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc[nH+]1 ZINC000507156295 313044547 /nfs/dbraw/zinc/04/45/47/313044547.db2.gz SDALOBNOQBKLNL-UHFFFAOYSA-N 1 2 296.286 2.454 20 5 CEBDLO Cc1c[nH]c(C(C)(C)NC(=O)c2csc([N+](=O)[O-])c2)[nH+]1 ZINC000574213510 314197961 /nfs/dbraw/zinc/19/79/61/314197961.db2.gz WCTYBNKDQMEVAP-UHFFFAOYSA-N 1 2 294.336 2.353 20 5 CEBDLO C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000387700064 321880070 /nfs/dbraw/zinc/88/00/70/321880070.db2.gz WZYQUAOGYXOVSX-NSHDSACASA-N 1 2 295.339 2.263 20 5 CEBDLO C[C@H](Cn1cc[nH+]c1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000163767043 524795341 /nfs/dbraw/zinc/79/53/41/524795341.db2.gz VNPORZLRBUSYEG-SECBINFHSA-N 1 2 264.260 2.431 20 5 CEBDLO C[C@@H](Cn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000049235999 524965178 /nfs/dbraw/zinc/96/51/78/524965178.db2.gz MVHXZIXJKCOGGS-VIFPVBQESA-N 1 2 291.267 2.200 20 5 CEBDLO C[C@@H](Nc1[nH+]cnc2c1cnn2C)c1cccc([N+](=O)[O-])c1 ZINC000052452231 525733239 /nfs/dbraw/zinc/73/32/39/525733239.db2.gz BOYRZNUGJYIEOW-SECBINFHSA-N 1 2 298.306 2.445 20 5 CEBDLO Cc1c[nH+]ccc1NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000337330982 526017821 /nfs/dbraw/zinc/01/78/21/526017821.db2.gz HFUDYANRPWWWRM-UHFFFAOYSA-N 1 2 296.286 2.454 20 5 CEBDLO CN(C)c1cc(NCCc2ccc([N+](=O)[O-])cc2)[nH+]cn1 ZINC000891965684 624199691 /nfs/dbraw/zinc/19/96/91/624199691.db2.gz SNQUDZVMFSPMKE-UHFFFAOYSA-N 1 2 287.323 2.105 20 5 CEBDLO CN(C)c1cc(NCCc2ccc([N+](=O)[O-])cc2)nc[nH+]1 ZINC000891965684 624199693 /nfs/dbraw/zinc/19/96/93/624199693.db2.gz SNQUDZVMFSPMKE-UHFFFAOYSA-N 1 2 287.323 2.105 20 5 CEBDLO O=[N+]([O-])CC[N@@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC000931259788 628490792 /nfs/dbraw/zinc/49/07/92/628490792.db2.gz LPNKHIKFGPHWEL-UHFFFAOYSA-N 1 2 274.242 2.340 20 5 CEBDLO O=[N+]([O-])CC[N@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC000931259788 628490794 /nfs/dbraw/zinc/49/07/94/628490794.db2.gz LPNKHIKFGPHWEL-UHFFFAOYSA-N 1 2 274.242 2.340 20 5 CEBDLO Nc1ccc([N+](=O)[O-])c(NCCCCn2cc[nH+]c2)c1 ZINC000800862284 631149807 /nfs/dbraw/zinc/14/98/07/631149807.db2.gz LZYWDKIGHWXJOG-UHFFFAOYSA-N 1 2 275.312 2.266 20 5 CEBDLO CC(=O)c1ccc([N+](=O)[O-])cc1NCCCn1cc[nH+]c1 ZINC000807916518 631886910 /nfs/dbraw/zinc/88/69/10/631886910.db2.gz UFFVKFOSZRTOTL-UHFFFAOYSA-N 1 2 288.307 2.496 20 5 CEBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](O)[C@H](F)C1 ZINC000898187503 632101309 /nfs/dbraw/zinc/10/13/09/632101309.db2.gz KIKFQOVHHCLDGU-CYSMCQCQSA-N 1 2 294.326 2.403 20 5 CEBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](O)[C@H](F)C1 ZINC000898187503 632101311 /nfs/dbraw/zinc/10/13/11/632101311.db2.gz KIKFQOVHHCLDGU-CYSMCQCQSA-N 1 2 294.326 2.403 20 5 CEBDLO C[C@@H]([NH2+]Cc1cocn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815606114 633037200 /nfs/dbraw/zinc/03/72/00/633037200.db2.gz NRQHXONLTQSTCR-MRVPVSSYSA-N 1 2 262.269 2.016 20 5 CEBDLO O=[N+]([O-])CC[NH2+]Cc1cc(Cl)cc(Cl)c1F ZINC000905409666 636261616 /nfs/dbraw/zinc/26/16/16/636261616.db2.gz QQHAOXIMROXLOU-UHFFFAOYSA-N 1 2 267.087 2.499 20 5 CEBDLO CC[NH2+]Cc1noc(CSc2ccc([N+](=O)[O-])cc2)n1 ZINC000843143184 640303669 /nfs/dbraw/zinc/30/36/69/640303669.db2.gz QMHMMXAALWFUBE-UHFFFAOYSA-N 1 2 294.336 2.380 20 5 CEBDLO C[N@H+](CC[N+](=O)[O-])Cc1cc(Br)cs1 ZINC000929267831 642917754 /nfs/dbraw/zinc/91/77/54/642917754.db2.gz HJTXYUQHEAZOSC-UHFFFAOYSA-N 1 2 279.159 2.219 20 5 CEBDLO C[N@@H+](CC[N+](=O)[O-])Cc1cc(Br)cs1 ZINC000929267831 642917759 /nfs/dbraw/zinc/91/77/59/642917759.db2.gz HJTXYUQHEAZOSC-UHFFFAOYSA-N 1 2 279.159 2.219 20 5 CEBDLO C[C@@H]1C[N@H+](CCNc2cccc(F)c2[N+](=O)[O-])[C@H](C)CO1 ZINC000853798364 643903757 /nfs/dbraw/zinc/90/37/57/643903757.db2.gz DNWJBFKHSOHQIQ-GHMZBOCLSA-N 1 2 297.330 2.255 20 5 CEBDLO C[C@@H]1C[N@@H+](CCNc2cccc(F)c2[N+](=O)[O-])[C@H](C)CO1 ZINC000853798364 643903758 /nfs/dbraw/zinc/90/37/58/643903758.db2.gz DNWJBFKHSOHQIQ-GHMZBOCLSA-N 1 2 297.330 2.255 20 5 CEBDLO CCn1ncc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000838968740 644100590 /nfs/dbraw/zinc/10/05/90/644100590.db2.gz QDYDDXKMHWEVIR-NSHDSACASA-N 1 2 289.339 2.365 20 5 CEBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CC(CCO)C2)c1 ZINC000839139844 644172087 /nfs/dbraw/zinc/17/20/87/644172087.db2.gz GUCXRMPPDCSXFC-UHFFFAOYSA-N 1 2 270.716 2.062 20 5 CEBDLO O=C(OCCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])s1 ZINC000781921936 647571985 /nfs/dbraw/zinc/57/19/85/647571985.db2.gz CLSMNJNMMYWLTL-UHFFFAOYSA-N 1 2 281.293 2.100 20 5 CEBDLO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1ccn[nH]1 ZINC000866264330 647703711 /nfs/dbraw/zinc/70/37/11/647703711.db2.gz YHPKLQJWZSKUHQ-SECBINFHSA-N 1 2 278.287 2.178 20 5 CEBDLO Nc1ccc(NCCCNc2cccc[nH+]2)c([N+](=O)[O-])c1 ZINC000786575100 648028404 /nfs/dbraw/zinc/02/84/04/648028404.db2.gz JHPUWHJDHXKDOS-UHFFFAOYSA-N 1 2 287.323 2.486 20 5 CEBDLO CCn1ncc(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)n1 ZINC000873140950 649568189 /nfs/dbraw/zinc/56/81/89/649568189.db2.gz WUQMNNQVNDVNEJ-UHFFFAOYSA-N 1 2 289.339 2.113 20 5 CEBDLO CCC[N@H+](CC[N+](=O)[O-])[C@@H](C)C(=O)Nc1ccccc1C ZINC001119856515 815165836 /nfs/dbraw/zinc/16/58/36/815165836.db2.gz YXVRQMMOKFIDMF-ZDUSSCGKSA-N 1 2 293.367 2.311 20 5 CEBDLO CCC[N@@H+](CC[N+](=O)[O-])[C@@H](C)C(=O)Nc1ccccc1C ZINC001119856515 815165839 /nfs/dbraw/zinc/16/58/39/815165839.db2.gz YXVRQMMOKFIDMF-ZDUSSCGKSA-N 1 2 293.367 2.311 20 5 CEBDLO C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC001177587334 816586947 /nfs/dbraw/zinc/58/69/47/816586947.db2.gz BLDMKSHABDLAIO-SNVBAGLBSA-N 1 2 288.307 2.128 20 5 CEBDLO C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC001177587334 816586953 /nfs/dbraw/zinc/58/69/53/816586953.db2.gz BLDMKSHABDLAIO-SNVBAGLBSA-N 1 2 288.307 2.128 20 5 CEBDLO COc1ccc(C[NH2+]C(CF)CF)cc1[N+](=O)[O-] ZINC000449380498 282206603 /nfs/dbraw/zinc/20/66/03/282206603.db2.gz NMIFPPQSXKWMFP-UHFFFAOYSA-N 1 2 260.240 2.001 20 5 CEBDLO CC[C@@H](C)NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599455 362184689 /nfs/dbraw/zinc/18/46/89/362184689.db2.gz ZWCSUDOUNBEGDV-NEPJUHHUSA-N 1 2 293.367 2.330 20 5 CEBDLO CC[C@@H](C)NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599455 362184693 /nfs/dbraw/zinc/18/46/93/362184693.db2.gz ZWCSUDOUNBEGDV-NEPJUHHUSA-N 1 2 293.367 2.330 20 5 CEBDLO CCN(CC)C(=O)C[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000051123914 343547992 /nfs/dbraw/zinc/54/79/92/343547992.db2.gz FUDHRZAOSCRLBO-UHFFFAOYSA-N 1 2 293.367 2.203 20 5 CEBDLO CCN(CC)C(=O)C[N@@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000051123914 343547994 /nfs/dbraw/zinc/54/79/94/343547994.db2.gz FUDHRZAOSCRLBO-UHFFFAOYSA-N 1 2 293.367 2.203 20 5 CEBDLO CC[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000051737295 343553249 /nfs/dbraw/zinc/55/32/49/343553249.db2.gz AUNJHNHEDOWDFF-LBPRGKRZSA-N 1 2 280.324 2.084 20 5 CEBDLO CC[C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000051737295 343553251 /nfs/dbraw/zinc/55/32/51/343553251.db2.gz AUNJHNHEDOWDFF-LBPRGKRZSA-N 1 2 280.324 2.084 20 5 CEBDLO CC1(C)C[C@H](O)CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000449616265 282305271 /nfs/dbraw/zinc/30/52/71/282305271.db2.gz CLUKBXXSGQPIPE-CYBMUJFWSA-N 1 2 294.351 2.283 20 5 CEBDLO CC1(C)C[C@H](O)CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000449616265 282305272 /nfs/dbraw/zinc/30/52/72/282305272.db2.gz CLUKBXXSGQPIPE-CYBMUJFWSA-N 1 2 294.351 2.283 20 5 CEBDLO COC[C@@H]1C[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000075767432 343865895 /nfs/dbraw/zinc/86/58/95/343865895.db2.gz WVJYKOWRLXVHAP-NEPJUHHUSA-N 1 2 280.324 2.003 20 5 CEBDLO COC[C@@H]1C[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000075767432 343865896 /nfs/dbraw/zinc/86/58/96/343865896.db2.gz WVJYKOWRLXVHAP-NEPJUHHUSA-N 1 2 280.324 2.003 20 5 CEBDLO Cc1nocc1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000351565944 219128823 /nfs/dbraw/zinc/12/88/23/219128823.db2.gz BBQAORTYAPINEA-UHFFFAOYSA-N 1 2 273.292 2.450 20 5 CEBDLO Cc1nocc1C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000351565944 219128826 /nfs/dbraw/zinc/12/88/26/219128826.db2.gz BBQAORTYAPINEA-UHFFFAOYSA-N 1 2 273.292 2.450 20 5 CEBDLO CC[N@H+](Cc1cccs1)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602431677 347030360 /nfs/dbraw/zinc/03/03/60/347030360.db2.gz JFHIBBYFBYZORP-UHFFFAOYSA-N 1 2 280.353 2.412 20 5 CEBDLO CC[N@@H+](Cc1cccs1)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602431677 347030361 /nfs/dbraw/zinc/03/03/61/347030361.db2.gz JFHIBBYFBYZORP-UHFFFAOYSA-N 1 2 280.353 2.412 20 5 CEBDLO C[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000092971217 344208928 /nfs/dbraw/zinc/20/89/28/344208928.db2.gz XNKLHRDFQMYZOM-MFKMUULPSA-N 1 2 280.324 2.036 20 5 CEBDLO C[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000092971217 344208931 /nfs/dbraw/zinc/20/89/31/344208931.db2.gz XNKLHRDFQMYZOM-MFKMUULPSA-N 1 2 280.324 2.036 20 5 CEBDLO CC[N@H+](Cc1cnn(C)c1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000092437579 344188539 /nfs/dbraw/zinc/18/85/39/344188539.db2.gz AYDBEVRDECBFQK-UHFFFAOYSA-N 1 2 290.323 2.056 20 5 CEBDLO CC[N@@H+](Cc1cnn(C)c1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000092437579 344188541 /nfs/dbraw/zinc/18/85/41/344188541.db2.gz AYDBEVRDECBFQK-UHFFFAOYSA-N 1 2 290.323 2.056 20 5 CEBDLO Cc1nc(NCCCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000123937343 344312422 /nfs/dbraw/zinc/31/24/22/344312422.db2.gz IXOXZQYRYQJXQK-UHFFFAOYSA-N 1 2 275.312 2.387 20 5 CEBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@@H](O)C1 ZINC000050445149 362422951 /nfs/dbraw/zinc/42/29/51/362422951.db2.gz KQRXVTHWOUMDDG-LLVKDONJSA-N 1 2 270.716 2.205 20 5 CEBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](O)C1 ZINC000050445149 362422954 /nfs/dbraw/zinc/42/29/54/362422954.db2.gz KQRXVTHWOUMDDG-LLVKDONJSA-N 1 2 270.716 2.205 20 5 CEBDLO COc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000051114793 362426776 /nfs/dbraw/zinc/42/67/76/362426776.db2.gz KKTLDQZEMVYCBN-GHMZBOCLSA-N 1 2 280.324 2.213 20 5 CEBDLO O=[N+]([O-])c1cc(F)cnc1NCCCCn1cc[nH+]c1 ZINC000401187285 344867196 /nfs/dbraw/zinc/86/71/96/344867196.db2.gz NJWNKQAKEHVCJZ-UHFFFAOYSA-N 1 2 279.275 2.218 20 5 CEBDLO Cc1cc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000584785983 344987006 /nfs/dbraw/zinc/98/70/06/344987006.db2.gz WEBTXENLYCWJHY-UHFFFAOYSA-N 1 2 288.307 2.291 20 5 CEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3C[C@@H]4COC[C@@H]4C3)c2c1 ZINC000591160130 345226676 /nfs/dbraw/zinc/22/66/76/345226676.db2.gz SAHVEOQLQYSAHR-TXEJJXNPSA-N 1 2 285.303 2.226 20 5 CEBDLO Cn1c[nH+]c(CCNc2sccc2[N+](=O)[O-])c1 ZINC000591172390 345227705 /nfs/dbraw/zinc/22/77/05/345227705.db2.gz YBPCVJZFDFXDSO-UHFFFAOYSA-N 1 2 252.299 2.044 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCN3CC(F)(F)C[C@H]3C2)cc1 ZINC000592130692 345327224 /nfs/dbraw/zinc/32/72/24/345327224.db2.gz KBHMNELZAQYERV-ZDUSSCGKSA-N 1 2 297.305 2.120 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCN3CC(F)(F)C[C@H]3C2)cc1 ZINC000592130692 345327227 /nfs/dbraw/zinc/32/72/27/345327227.db2.gz KBHMNELZAQYERV-ZDUSSCGKSA-N 1 2 297.305 2.120 20 5 CEBDLO CC(C)Oc1cc[nH+]c(Cn2cnc([N+](=O)[O-])c2)c1 ZINC000593420389 345481520 /nfs/dbraw/zinc/48/15/20/345481520.db2.gz JTYYDJIQZOTOBC-UHFFFAOYSA-N 1 2 262.269 2.022 20 5 CEBDLO Cc1noc(C[N@H+]2C[C@H](C)OC3(CCC3)C2)c1[N+](=O)[O-] ZINC000595568495 345815753 /nfs/dbraw/zinc/81/57/53/345815753.db2.gz ONLOJPGGHQDTMT-VIFPVBQESA-N 1 2 281.312 2.035 20 5 CEBDLO Cc1noc(C[N@@H+]2C[C@H](C)OC3(CCC3)C2)c1[N+](=O)[O-] ZINC000595568495 345815756 /nfs/dbraw/zinc/81/57/56/345815756.db2.gz ONLOJPGGHQDTMT-VIFPVBQESA-N 1 2 281.312 2.035 20 5 CEBDLO Cc1noc(C[N@H+]2C[C@@H](C)OC3(CCC3)C2)c1[N+](=O)[O-] ZINC000595568492 345816100 /nfs/dbraw/zinc/81/61/00/345816100.db2.gz ONLOJPGGHQDTMT-SECBINFHSA-N 1 2 281.312 2.035 20 5 CEBDLO Cc1noc(C[N@@H+]2C[C@@H](C)OC3(CCC3)C2)c1[N+](=O)[O-] ZINC000595568492 345816101 /nfs/dbraw/zinc/81/61/01/345816101.db2.gz ONLOJPGGHQDTMT-SECBINFHSA-N 1 2 281.312 2.035 20 5 CEBDLO COc1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)on1 ZINC000595414204 345776663 /nfs/dbraw/zinc/77/66/63/345776663.db2.gz JCILWJKASAHGOM-VIFPVBQESA-N 1 2 277.280 2.442 20 5 CEBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC3(COC3)C2)c(F)c1 ZINC000595835703 345892484 /nfs/dbraw/zinc/89/24/84/345892484.db2.gz WPVOORBNDHKPLB-UHFFFAOYSA-N 1 2 284.262 2.095 20 5 CEBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC3(COC3)C2)c(F)c1 ZINC000595835703 345892486 /nfs/dbraw/zinc/89/24/86/345892486.db2.gz WPVOORBNDHKPLB-UHFFFAOYSA-N 1 2 284.262 2.095 20 5 CEBDLO C[C@H](O)[C@H]1CCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000595766591 345871124 /nfs/dbraw/zinc/87/11/24/345871124.db2.gz QHCXNTWBRDJAAT-ISVAXAHUSA-N 1 2 286.278 2.218 20 5 CEBDLO C[C@H](O)[C@H]1CCC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000595766591 345871125 /nfs/dbraw/zinc/87/11/25/345871125.db2.gz QHCXNTWBRDJAAT-ISVAXAHUSA-N 1 2 286.278 2.218 20 5 CEBDLO C[C@]1(C(F)F)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000595918360 345912494 /nfs/dbraw/zinc/91/24/94/345912494.db2.gz XPFPZIYQRRTJLO-CYBMUJFWSA-N 1 2 286.278 2.451 20 5 CEBDLO C[C@]1(C(F)F)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000595918360 345912497 /nfs/dbraw/zinc/91/24/97/345912497.db2.gz XPFPZIYQRRTJLO-CYBMUJFWSA-N 1 2 286.278 2.451 20 5 CEBDLO CCC[C@]1(CO)CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339202173 215011524 /nfs/dbraw/zinc/01/15/24/215011524.db2.gz HOQHGWLIFDCASG-HNNXBMFYSA-N 1 2 294.351 2.285 20 5 CEBDLO CCC[C@]1(CO)CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339202173 215011526 /nfs/dbraw/zinc/01/15/26/215011526.db2.gz HOQHGWLIFDCASG-HNNXBMFYSA-N 1 2 294.351 2.285 20 5 CEBDLO Cc1c(C(=O)N[C@H](C)c2[nH+]ccn2C)cccc1[N+](=O)[O-] ZINC000598459678 346360286 /nfs/dbraw/zinc/36/02/86/346360286.db2.gz LCZXRWZIYCDNEO-SNVBAGLBSA-N 1 2 288.307 2.128 20 5 CEBDLO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000599000366 346444966 /nfs/dbraw/zinc/44/49/66/346444966.db2.gz SFGBNBZZARGAEO-PUXPGTEJSA-N 1 2 280.324 2.202 20 5 CEBDLO C[C@@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC[C@H]1O ZINC000599070665 346456135 /nfs/dbraw/zinc/45/61/35/346456135.db2.gz NCKQJXNZUNZEHE-QMTHXVAHSA-N 1 2 287.319 2.350 20 5 CEBDLO CNC(=O)C[C@H](C)Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599084925 346457824 /nfs/dbraw/zinc/45/78/24/346457824.db2.gz ZQCSEPDFTGVMKL-VIFPVBQESA-N 1 2 288.307 2.080 20 5 CEBDLO COC[C@@]1(C)C[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000599692555 346568976 /nfs/dbraw/zinc/56/89/76/346568976.db2.gz JYNWNJVJPZVWQU-IUODEOHRSA-N 1 2 294.351 2.393 20 5 CEBDLO COC[C@@]1(C)C[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000599692555 346568978 /nfs/dbraw/zinc/56/89/78/346568978.db2.gz JYNWNJVJPZVWQU-IUODEOHRSA-N 1 2 294.351 2.393 20 5 CEBDLO O=[N+]([O-])c1ccc(-c2cc[nH+]c(N3CCOCC3)c2)cc1 ZINC000600783592 346689976 /nfs/dbraw/zinc/68/99/76/346689976.db2.gz FKNPGIOYYVRCIT-UHFFFAOYSA-N 1 2 285.303 2.493 20 5 CEBDLO O=[N+]([O-])c1ccc(CCO)c(-c2c[nH+]c3n2CCCC3)c1 ZINC000600849948 346699821 /nfs/dbraw/zinc/69/98/21/346699821.db2.gz PBVSNAITYDCBPS-UHFFFAOYSA-N 1 2 287.319 2.329 20 5 CEBDLO CCn1nc(C)c([N+](=O)[O-])c1Nc1c[nH+]cc(N(C)C)c1 ZINC000601213980 346791294 /nfs/dbraw/zinc/79/12/94/346791294.db2.gz OTDFTKGVOOFXPJ-UHFFFAOYSA-N 1 2 290.327 2.324 20 5 CEBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cocn1 ZINC000609353932 347636285 /nfs/dbraw/zinc/63/62/85/347636285.db2.gz DYGWASRJDYZPGZ-UHFFFAOYSA-N 1 2 277.280 2.271 20 5 CEBDLO CCc1cc(NCCc2cccc([N+](=O)[O-])c2)nc[nH+]1 ZINC000611143890 347744303 /nfs/dbraw/zinc/74/43/03/347744303.db2.gz SCRGMANXDBWRFY-UHFFFAOYSA-N 1 2 272.308 2.024 20 5 CEBDLO CN(CC[N@@H+]1CCOC(C)(C)C1)c1sccc1[N+](=O)[O-] ZINC000618980638 349084151 /nfs/dbraw/zinc/08/41/51/349084151.db2.gz OLIMYDVBHXSWKO-UHFFFAOYSA-N 1 2 299.396 2.203 20 5 CEBDLO CN(CC[N@H+]1CCOC(C)(C)C1)c1sccc1[N+](=O)[O-] ZINC000618980638 349084154 /nfs/dbraw/zinc/08/41/54/349084154.db2.gz OLIMYDVBHXSWKO-UHFFFAOYSA-N 1 2 299.396 2.203 20 5 CEBDLO Cc1cc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC000411198399 233229275 /nfs/dbraw/zinc/22/92/75/233229275.db2.gz IMDQOFHOUWDISL-LSDHHAIUSA-N 1 2 297.314 2.462 20 5 CEBDLO C[C@@H]1OCC[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000156160676 188245863 /nfs/dbraw/zinc/24/58/63/188245863.db2.gz UJRMNEKQWVXXIE-RYUDHWBXSA-N 1 2 280.324 2.083 20 5 CEBDLO C[C@@H]1OCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000156160676 188245864 /nfs/dbraw/zinc/24/58/64/188245864.db2.gz UJRMNEKQWVXXIE-RYUDHWBXSA-N 1 2 280.324 2.083 20 5 CEBDLO CC(=Cc1cccc([N+](=O)[O-])c1)CNc1ccc(CO)c[nH+]1 ZINC000356328009 370662079 /nfs/dbraw/zinc/66/20/79/370662079.db2.gz ZTGOZEMPODCNEE-GHXNOFRVSA-N 1 2 299.330 2.419 20 5 CEBDLO C[C@@H]1CC[C@@](CO)([N@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339100303 366654333 /nfs/dbraw/zinc/65/43/33/366654333.db2.gz KIEYBDWJPSZHPQ-IAQYHMDHSA-N 1 2 294.351 2.283 20 5 CEBDLO C[C@@H]1CC[C@@](CO)([N@@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339100303 366654338 /nfs/dbraw/zinc/65/43/38/366654338.db2.gz KIEYBDWJPSZHPQ-IAQYHMDHSA-N 1 2 294.351 2.283 20 5 CEBDLO C[C@H]([NH2+]Cc1nnc(C2CC2)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000182797344 189335336 /nfs/dbraw/zinc/33/53/36/189335336.db2.gz SDMQPKRZEVDIRT-VIFPVBQESA-N 1 2 287.323 2.441 20 5 CEBDLO O=C(Cc1cn2ccccc2[nH+]1)Nc1cccc([N+](=O)[O-])c1 ZINC000032032479 361724563 /nfs/dbraw/zinc/72/45/63/361724563.db2.gz AGXSRVKBHGIKMS-UHFFFAOYSA-N 1 2 296.286 2.424 20 5 CEBDLO CCOC(=O)C(C)(C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000112356914 364800493 /nfs/dbraw/zinc/80/04/93/364800493.db2.gz MTXDYGZZMKJWLH-UHFFFAOYSA-N 1 2 280.324 2.368 20 5 CEBDLO CCOC(=O)C(C)(C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000112356914 364800498 /nfs/dbraw/zinc/80/04/98/364800498.db2.gz MTXDYGZZMKJWLH-UHFFFAOYSA-N 1 2 280.324 2.368 20 5 CEBDLO Cc1c[nH+]c(CN(C)Cc2ccccc2[N+](=O)[O-])n1C ZINC000342796805 367541583 /nfs/dbraw/zinc/54/15/83/367541583.db2.gz ZOUCFRBBFCMJRK-UHFFFAOYSA-N 1 2 274.324 2.269 20 5 CEBDLO CC[C@@H]1C[N@H+](CCNc2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000343096044 367668513 /nfs/dbraw/zinc/66/85/13/367668513.db2.gz KGNWKZVYVNYUHW-LLVKDONJSA-N 1 2 297.330 2.257 20 5 CEBDLO CC[C@@H]1C[N@@H+](CCNc2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000343096044 367668520 /nfs/dbraw/zinc/66/85/20/367668520.db2.gz KGNWKZVYVNYUHW-LLVKDONJSA-N 1 2 297.330 2.257 20 5 CEBDLO CCN(CC)C(=O)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000183207848 368616099 /nfs/dbraw/zinc/61/60/99/368616099.db2.gz LPLCBCJAXKNIKC-UHFFFAOYSA-N 1 2 293.367 2.203 20 5 CEBDLO CCN(CC)C(=O)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000183207848 368616103 /nfs/dbraw/zinc/61/61/03/368616103.db2.gz LPLCBCJAXKNIKC-UHFFFAOYSA-N 1 2 293.367 2.203 20 5 CEBDLO Cc1noc([C@@H](C)[NH2+]CCOc2ccccc2[N+](=O)[O-])n1 ZINC000348094458 368894170 /nfs/dbraw/zinc/89/41/70/368894170.db2.gz GEPQSPOYABOWDJ-SECBINFHSA-N 1 2 292.295 2.016 20 5 CEBDLO C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccon1 ZINC000349238015 369274300 /nfs/dbraw/zinc/27/43/00/369274300.db2.gz JKYGZWANCJFSCQ-ZETCQYMHSA-N 1 2 253.283 2.495 20 5 CEBDLO CC[N@@H+](Cc1csc([N+](=O)[O-])c1)C[C@H](O)C(F)(F)F ZINC000189530963 369531965 /nfs/dbraw/zinc/53/19/65/369531965.db2.gz HLIXQMXZJIZYMP-QMMMGPOBSA-N 1 2 298.286 2.401 20 5 CEBDLO CC[N@H+](Cc1csc([N+](=O)[O-])c1)C[C@H](O)C(F)(F)F ZINC000189530963 369531968 /nfs/dbraw/zinc/53/19/68/369531968.db2.gz HLIXQMXZJIZYMP-QMMMGPOBSA-N 1 2 298.286 2.401 20 5 CEBDLO CC[N@H+](Cc1cn(C)nn1)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000359292408 371414586 /nfs/dbraw/zinc/41/45/86/371414586.db2.gz DXGXNCWMCIPVLM-UHFFFAOYSA-N 1 2 289.339 2.054 20 5 CEBDLO CC[N@@H+](Cc1cn(C)nn1)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000359292408 371414588 /nfs/dbraw/zinc/41/45/88/371414588.db2.gz DXGXNCWMCIPVLM-UHFFFAOYSA-N 1 2 289.339 2.054 20 5 CEBDLO COC(=O)[C@]1(F)CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000267665012 372077854 /nfs/dbraw/zinc/07/78/54/372077854.db2.gz NNZOJPIWLYALLN-YGRLFVJLSA-N 1 2 296.298 2.243 20 5 CEBDLO COC(=O)[C@]1(F)CC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000267665012 372077860 /nfs/dbraw/zinc/07/78/60/372077860.db2.gz NNZOJPIWLYALLN-YGRLFVJLSA-N 1 2 296.298 2.243 20 5 CEBDLO COC(=O)[C@]1(F)CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000267664997 372078292 /nfs/dbraw/zinc/07/82/92/372078292.db2.gz NNZOJPIWLYALLN-HZMBPMFUSA-N 1 2 296.298 2.243 20 5 CEBDLO COC(=O)[C@]1(F)CC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000267664997 372078299 /nfs/dbraw/zinc/07/82/99/372078299.db2.gz NNZOJPIWLYALLN-HZMBPMFUSA-N 1 2 296.298 2.243 20 5 CEBDLO CC[C@@H]1C[N@H+](CCNc2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000362658629 372475944 /nfs/dbraw/zinc/47/59/44/372475944.db2.gz SFBKBZCUALWNJF-GFCCVEGCSA-N 1 2 297.330 2.257 20 5 CEBDLO CC[C@@H]1C[N@@H+](CCNc2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000362658629 372475952 /nfs/dbraw/zinc/47/59/52/372475952.db2.gz SFBKBZCUALWNJF-GFCCVEGCSA-N 1 2 297.330 2.257 20 5 CEBDLO COc1cc(C[N@@H+]2CCO[C@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000362566034 372430401 /nfs/dbraw/zinc/43/04/01/372430401.db2.gz DXYXGIFXHLIRCU-HNNXBMFYSA-N 1 2 292.335 2.214 20 5 CEBDLO COc1cc(C[N@H+]2CCO[C@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000362566034 372430406 /nfs/dbraw/zinc/43/04/06/372430406.db2.gz DXYXGIFXHLIRCU-HNNXBMFYSA-N 1 2 292.335 2.214 20 5 CEBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000371520274 373909280 /nfs/dbraw/zinc/90/92/80/373909280.db2.gz RMOQDCKUZFHIEP-QMMMGPOBSA-N 1 2 292.320 2.357 20 5 CEBDLO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc([N+](=O)[O-])cc1F ZINC000289496278 197376491 /nfs/dbraw/zinc/37/64/91/197376491.db2.gz KCDHHESGJWTYOR-PHIMTYICSA-N 1 2 278.283 2.430 20 5 CEBDLO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc([N+](=O)[O-])cc1F ZINC000289496278 197376492 /nfs/dbraw/zinc/37/64/92/197376492.db2.gz KCDHHESGJWTYOR-PHIMTYICSA-N 1 2 278.283 2.430 20 5 CEBDLO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ncnn1C ZINC000276788072 374299978 /nfs/dbraw/zinc/29/99/78/374299978.db2.gz XQAKYDJBWHACNR-MRVPVSSYSA-N 1 2 295.730 2.228 20 5 CEBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000277033739 374385176 /nfs/dbraw/zinc/38/51/76/374385176.db2.gz BHQFPJAJUUWVPX-FKANQGBASA-N 1 2 296.392 2.499 20 5 CEBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000277033739 374385185 /nfs/dbraw/zinc/38/51/85/374385185.db2.gz BHQFPJAJUUWVPX-FKANQGBASA-N 1 2 296.392 2.499 20 5 CEBDLO COc1ccc(C[N@@H+]2CCO[C@H]3CCC[C@H]32)cc1[N+](=O)[O-] ZINC000280525904 375231609 /nfs/dbraw/zinc/23/16/09/375231609.db2.gz COZRZSWWXHXBOU-DOMZBBRYSA-N 1 2 292.335 2.357 20 5 CEBDLO COc1ccc(C[N@H+]2CCO[C@H]3CCC[C@H]32)cc1[N+](=O)[O-] ZINC000280525904 375231612 /nfs/dbraw/zinc/23/16/12/375231612.db2.gz COZRZSWWXHXBOU-DOMZBBRYSA-N 1 2 292.335 2.357 20 5 CEBDLO COc1ccc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000282641122 375536419 /nfs/dbraw/zinc/53/64/19/375536419.db2.gz BQOMBMCRSPZIKX-SNVBAGLBSA-N 1 2 288.307 2.244 20 5 CEBDLO Cc1c([N+](=O)[O-])ccc(F)c1NCc1[nH+]ccn1C ZINC000283384568 375700504 /nfs/dbraw/zinc/70/05/04/375700504.db2.gz DOFRSKMNNNRUBN-UHFFFAOYSA-N 1 2 264.260 2.388 20 5 CEBDLO C[NH2+]Cc1noc(C(C)(C)c2ccccc2[N+](=O)[O-])n1 ZINC000414641424 375894703 /nfs/dbraw/zinc/89/47/03/375894703.db2.gz JMCLWFSZKCHTBU-UHFFFAOYSA-N 1 2 276.296 2.023 20 5 CEBDLO COC(=O)c1ccc(C[NH2+]Cc2csc([N+](=O)[O-])c2)o1 ZINC000265145499 190161426 /nfs/dbraw/zinc/16/14/26/190161426.db2.gz KGFIGPPGHYMBIQ-UHFFFAOYSA-N 1 2 296.304 2.326 20 5 CEBDLO COC[C@@H]1CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000293652737 377679428 /nfs/dbraw/zinc/67/94/28/377679428.db2.gz SOPQMKXZCBSAJH-NSHDSACASA-N 1 2 270.716 2.469 20 5 CEBDLO COC[C@@H]1CC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000293652737 377679439 /nfs/dbraw/zinc/67/94/39/377679439.db2.gz SOPQMKXZCBSAJH-NSHDSACASA-N 1 2 270.716 2.469 20 5 CEBDLO CO[C@H]1CCC[C@H]1C[NH+]=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000447692609 378131386 /nfs/dbraw/zinc/13/13/86/378131386.db2.gz GPVAQLBDRBDROS-ZANVPECISA-N 1 2 290.323 2.120 20 5 CEBDLO Cc1c(C[N@H+](C2CC2)C2COC2)cccc1[N+](=O)[O-] ZINC000295389192 378133799 /nfs/dbraw/zinc/13/37/99/378133799.db2.gz LBDJRBPHJCUHAP-UHFFFAOYSA-N 1 2 262.309 2.266 20 5 CEBDLO Cc1c(C[N@@H+](C2CC2)C2COC2)cccc1[N+](=O)[O-] ZINC000295389192 378133802 /nfs/dbraw/zinc/13/38/02/378133802.db2.gz LBDJRBPHJCUHAP-UHFFFAOYSA-N 1 2 262.309 2.266 20 5 CEBDLO CCCN(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448825108 378188132 /nfs/dbraw/zinc/18/81/32/378188132.db2.gz QFABBLVMBYZRTI-UHFFFAOYSA-N 1 2 288.307 2.263 20 5 CEBDLO CCn1cc[nH+]c1CNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000295555819 378210785 /nfs/dbraw/zinc/21/07/85/378210785.db2.gz FBGFFKARNDIJIX-UHFFFAOYSA-N 1 2 294.336 2.111 20 5 CEBDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000278511963 194021259 /nfs/dbraw/zinc/02/12/59/194021259.db2.gz APRVDVXNPNGSRK-VIFPVBQESA-N 1 2 288.307 2.046 20 5 CEBDLO Cc1[nH]c[nH+]c1CC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000278511963 194021261 /nfs/dbraw/zinc/02/12/61/194021261.db2.gz APRVDVXNPNGSRK-VIFPVBQESA-N 1 2 288.307 2.046 20 5 CEBDLO Cc1cc(NCCNc2ccccc2[N+](=O)[O-])nc[nH+]1 ZINC000301222559 379222092 /nfs/dbraw/zinc/22/20/92/379222092.db2.gz BINYBRXUKCNOKZ-UHFFFAOYSA-N 1 2 273.296 2.217 20 5 CEBDLO CCn1cc[nH+]c1/C=C\C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000492297372 380510488 /nfs/dbraw/zinc/51/04/88/380510488.db2.gz HTIJARGPUDKUDT-SREVYHEPSA-N 1 2 286.291 2.463 20 5 CEBDLO CC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@@H](C)OC ZINC000339208368 285095777 /nfs/dbraw/zinc/09/57/77/285095777.db2.gz VSYMCBJHFDOFKW-SNVBAGLBSA-N 1 2 268.313 2.157 20 5 CEBDLO CC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@@H](C)OC ZINC000339208368 285095778 /nfs/dbraw/zinc/09/57/78/285095778.db2.gz VSYMCBJHFDOFKW-SNVBAGLBSA-N 1 2 268.313 2.157 20 5 CEBDLO O=[N+]([O-])c1ccc(N2CCn3c[nH+]cc3C2)c(Cl)c1 ZINC000290684159 285132533 /nfs/dbraw/zinc/13/25/33/285132533.db2.gz LSDPDNBHBWEFEV-UHFFFAOYSA-N 1 2 278.699 2.465 20 5 CEBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCO[C@H]3CCC[C@H]32)c1 ZINC000281178061 195137589 /nfs/dbraw/zinc/13/75/89/195137589.db2.gz QRMAEQZZXXDWDS-KGLIPLIRSA-N 1 2 262.309 2.348 20 5 CEBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCO[C@H]3CCC[C@H]32)c1 ZINC000281178061 195137590 /nfs/dbraw/zinc/13/75/90/195137590.db2.gz QRMAEQZZXXDWDS-KGLIPLIRSA-N 1 2 262.309 2.348 20 5 CEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NC[C@H](O)C(F)F)c2c1 ZINC000413183938 394499904 /nfs/dbraw/zinc/49/99/04/394499904.db2.gz WNFABDDPEYMLEZ-JTQLQIEISA-N 1 2 283.234 2.181 20 5 CEBDLO O=[N+]([O-])c1ccccc1OCCOc1cc[nH+]cc1 ZINC000356087351 394545291 /nfs/dbraw/zinc/54/52/91/394545291.db2.gz CUJJQVRQVXNMPD-UHFFFAOYSA-N 1 2 260.249 2.448 20 5 CEBDLO CC[C@H](C)[N@H+](CC(=O)OC)Cc1ccccc1[N+](=O)[O-] ZINC000337218590 394886375 /nfs/dbraw/zinc/88/63/75/394886375.db2.gz AXBPVWKACSCNNA-NSHDSACASA-N 1 2 280.324 2.368 20 5 CEBDLO CC[C@H](C)[N@@H+](CC(=O)OC)Cc1ccccc1[N+](=O)[O-] ZINC000337218590 394886377 /nfs/dbraw/zinc/88/63/77/394886377.db2.gz AXBPVWKACSCNNA-NSHDSACASA-N 1 2 280.324 2.368 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000282238249 394915316 /nfs/dbraw/zinc/91/53/16/394915316.db2.gz PTRLWNAOCLWSPL-VXGBXAGGSA-N 1 2 291.351 2.127 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000282238249 394915317 /nfs/dbraw/zinc/91/53/17/394915317.db2.gz PTRLWNAOCLWSPL-VXGBXAGGSA-N 1 2 291.351 2.127 20 5 CEBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@@H](CO)C2)c(F)c1 ZINC000286094690 395011933 /nfs/dbraw/zinc/01/19/33/395011933.db2.gz ULKHMEZJZGIFDO-SECBINFHSA-N 1 2 286.278 2.077 20 5 CEBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@@H](CO)C2)c(F)c1 ZINC000286094690 395011936 /nfs/dbraw/zinc/01/19/36/395011936.db2.gz ULKHMEZJZGIFDO-SECBINFHSA-N 1 2 286.278 2.077 20 5 CEBDLO Cc1c[nH+]c(CN2CCc3ccc([N+](=O)[O-])cc3C2)n1C ZINC000342794652 395022702 /nfs/dbraw/zinc/02/27/02/395022702.db2.gz UXCIZUMRPLSFBP-UHFFFAOYSA-N 1 2 286.335 2.195 20 5 CEBDLO C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]1C ZINC000339567422 394964659 /nfs/dbraw/zinc/96/46/59/394964659.db2.gz FOTUGBMVQRQRAL-RKDXNWHRSA-N 1 2 260.297 2.311 20 5 CEBDLO C[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]1C ZINC000339567422 394964668 /nfs/dbraw/zinc/96/46/68/394964668.db2.gz FOTUGBMVQRQRAL-RKDXNWHRSA-N 1 2 260.297 2.311 20 5 CEBDLO Cc1nn(C)c(Nc2ccc3c(c2)[nH+]cn3C)c1[N+](=O)[O-] ZINC000439702007 395279631 /nfs/dbraw/zinc/27/96/31/395279631.db2.gz BZRBYHYSMSBKTD-UHFFFAOYSA-N 1 2 286.295 2.267 20 5 CEBDLO O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccn2cc[nH+]c2c1 ZINC000355320988 395410367 /nfs/dbraw/zinc/41/03/67/395410367.db2.gz UDFYYVNOMDQPHN-UHFFFAOYSA-N 1 2 296.286 2.424 20 5 CEBDLO CCOC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000180761858 165321642 /nfs/dbraw/zinc/32/16/42/165321642.db2.gz PRUURHSEBLVHFZ-ZDUSSCGKSA-N 1 2 292.335 2.431 20 5 CEBDLO CCOC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000180761858 165321647 /nfs/dbraw/zinc/32/16/47/165321647.db2.gz PRUURHSEBLVHFZ-ZDUSSCGKSA-N 1 2 292.335 2.431 20 5 CEBDLO COC[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000284672348 196108467 /nfs/dbraw/zinc/10/84/67/196108467.db2.gz YSSYGIAUTWDJHC-ZDUSSCGKSA-N 1 2 294.351 2.221 20 5 CEBDLO COC[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000284672348 196108468 /nfs/dbraw/zinc/10/84/68/196108468.db2.gz YSSYGIAUTWDJHC-ZDUSSCGKSA-N 1 2 294.351 2.221 20 5 CEBDLO CCOC(=O)[C@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285301600 196245166 /nfs/dbraw/zinc/24/51/66/196245166.db2.gz LERHNBQVOBUPEE-NSHDSACASA-N 1 2 280.324 2.021 20 5 CEBDLO CCOC(=O)[C@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285301600 196245168 /nfs/dbraw/zinc/24/51/68/196245168.db2.gz LERHNBQVOBUPEE-NSHDSACASA-N 1 2 280.324 2.021 20 5 CEBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2cc[nH]n2)c1 ZINC000041014996 174450270 /nfs/dbraw/zinc/45/02/70/174450270.db2.gz MQKDBDPJIHHTTK-UHFFFAOYSA-N 1 2 266.688 2.261 20 5 CEBDLO Cc1nc(N2CCc3ccc([N+](=O)[O-])cc3C2)cc[nH+]1 ZINC000088763948 274858742 /nfs/dbraw/zinc/85/87/42/274858742.db2.gz SCQWWMYBQGNZKN-UHFFFAOYSA-N 1 2 270.292 2.256 20 5 CEBDLO CCCC[N@H+](CC(N)=O)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116273014 276233134 /nfs/dbraw/zinc/23/31/34/276233134.db2.gz UHGMGGIIRXEEFU-UHFFFAOYSA-N 1 2 299.758 2.336 20 5 CEBDLO CCCC[N@@H+](CC(N)=O)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116273014 276233135 /nfs/dbraw/zinc/23/31/35/276233135.db2.gz UHGMGGIIRXEEFU-UHFFFAOYSA-N 1 2 299.758 2.336 20 5 CEBDLO CC[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000339507815 288051015 /nfs/dbraw/zinc/05/10/15/288051015.db2.gz FYFPRDLFSZPBLG-GXTWGEPZSA-N 1 2 280.324 2.348 20 5 CEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N[C@H]3CC[S@@](=O)C3)c2c1 ZINC000413158852 280371346 /nfs/dbraw/zinc/37/13/46/280371346.db2.gz AKCTTYNOPKUERO-WVDJIFEKSA-N 1 2 291.332 2.076 20 5 CEBDLO C[C@H](C[C@H]1CCCO1)[NH+]=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000447677622 281855602 /nfs/dbraw/zinc/85/56/02/281855602.db2.gz VMIPJMNWUDRJAQ-MWLCHTKSSA-N 1 2 290.323 2.263 20 5 CEBDLO Cc1noc(C2C[NH+](Cc3ccc([N+](=O)[O-])cc3F)C2)n1 ZINC000459604976 290192837 /nfs/dbraw/zinc/19/28/37/290192837.db2.gz KNWHWQMOSOITCQ-UHFFFAOYSA-N 1 2 292.270 2.025 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)c1ncnn1C ZINC000530440099 298071371 /nfs/dbraw/zinc/07/13/71/298071371.db2.gz FLWCNCCDVUTULB-MNOVXSKESA-N 1 2 289.339 2.444 20 5 CEBDLO CCCC[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000548055129 298390231 /nfs/dbraw/zinc/39/02/31/298390231.db2.gz RQMWVEQWZXVKLS-CYBMUJFWSA-N 1 2 294.351 2.459 20 5 CEBDLO C[C@H]1C[C@H](C)[NH+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000548426358 298410799 /nfs/dbraw/zinc/41/07/99/298410799.db2.gz VKJHMKRERGUGEM-IUCAKERBSA-N 1 2 260.297 2.454 20 5 CEBDLO CC[C@H](C[NH+]1CCOCC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000895797964 630353212 /nfs/dbraw/zinc/35/32/12/630353212.db2.gz BXPFEIIMRGJEKW-LLVKDONJSA-N 1 2 297.330 2.257 20 5 CEBDLO Nc1ccc(N2CCC[C@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000804429062 631681112 /nfs/dbraw/zinc/68/11/12/631681112.db2.gz CBUCSCHCPYHXKX-LBPRGKRZSA-N 1 2 287.323 2.215 20 5 CEBDLO CC[C@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)OC ZINC000901641941 634223425 /nfs/dbraw/zinc/22/34/25/634223425.db2.gz FXQLNPCOWSTTSL-PWSUYJOCSA-N 1 2 280.324 2.240 20 5 CEBDLO CC1(C)C[NH2+]C[C@@H]1[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000904464992 635636672 /nfs/dbraw/zinc/63/66/72/635636672.db2.gz XAIBOMILTLJSSY-NSHDSACASA-N 1 2 299.758 2.041 20 5 CEBDLO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccn(C)n1 ZINC000839194436 644186340 /nfs/dbraw/zinc/18/63/40/644186340.db2.gz PNBSGVBRRHHFPT-SECBINFHSA-N 1 2 278.287 2.318 20 5 CEBDLO CC(C)(C)C1=CC[N@H+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000758357363 644921006 /nfs/dbraw/zinc/92/10/06/644921006.db2.gz HBTKTGWTOXAVQI-UHFFFAOYSA-N 1 2 264.329 2.427 20 5 CEBDLO CC(C)(C)C1=CC[N@@H+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000758357363 644921008 /nfs/dbraw/zinc/92/10/08/644921008.db2.gz HBTKTGWTOXAVQI-UHFFFAOYSA-N 1 2 264.329 2.427 20 5 CEBDLO CCOC(=O)[C@@H](C)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000763283914 645527549 /nfs/dbraw/zinc/52/75/49/645527549.db2.gz JACZLEMUDBHNCI-NWDGAFQWSA-N 1 2 294.351 2.457 20 5 CEBDLO O=C(OCCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1 ZINC000763294090 645530733 /nfs/dbraw/zinc/53/07/33/645530733.db2.gz OLYIXCKTMXYSIN-UHFFFAOYSA-N 1 2 275.264 2.038 20 5 CEBDLO O=[N+]([O-])c1ccnn1C[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000766117058 645849956 /nfs/dbraw/zinc/84/99/56/645849956.db2.gz KJPCYEJZIFKWRM-QMMMGPOBSA-N 1 2 278.234 2.023 20 5 CEBDLO O=[N+]([O-])c1ccnn1C[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000766117058 645849957 /nfs/dbraw/zinc/84/99/57/645849957.db2.gz KJPCYEJZIFKWRM-QMMMGPOBSA-N 1 2 278.234 2.023 20 5 CEBDLO Cc1ccnc(N[C@H]2CCC[N@H+](CCF)C2)c1[N+](=O)[O-] ZINC000865928172 647540231 /nfs/dbraw/zinc/54/02/31/647540231.db2.gz SFBWJWIWSGWBDT-NSHDSACASA-N 1 2 282.319 2.144 20 5 CEBDLO Cc1ccnc(N[C@H]2CCC[N@@H+](CCF)C2)c1[N+](=O)[O-] ZINC000865928172 647540234 /nfs/dbraw/zinc/54/02/34/647540234.db2.gz SFBWJWIWSGWBDT-NSHDSACASA-N 1 2 282.319 2.144 20 5 CEBDLO Cc1cc(C(=O)OCc2cc[nH+]c(N)c2)ccc1[N+](=O)[O-] ZINC000787579073 648119881 /nfs/dbraw/zinc/11/98/81/648119881.db2.gz PMNQBIQTVQUWEJ-UHFFFAOYSA-N 1 2 287.275 2.237 20 5 CEBDLO COCC1([N@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])CCC1 ZINC000880185247 651397312 /nfs/dbraw/zinc/39/73/12/651397312.db2.gz KBJTUUQXYJRILY-UHFFFAOYSA-N 1 2 280.324 2.301 20 5 CEBDLO COCC1([N@@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])CCC1 ZINC000880185247 651397315 /nfs/dbraw/zinc/39/73/15/651397315.db2.gz KBJTUUQXYJRILY-UHFFFAOYSA-N 1 2 280.324 2.301 20 5 CEBDLO NC(=[NH2+])N(c1ccc(F)cc1)c1ncccc1[N+](=O)[O-] ZINC001167991940 805592695 /nfs/dbraw/zinc/59/26/95/805592695.db2.gz KSBIKGJEJKNQTB-UHFFFAOYSA-N 1 2 275.243 2.160 20 5 CEBDLO CC1(C)CCC[NH2+][C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000232832496 807723960 /nfs/dbraw/zinc/72/39/60/807723960.db2.gz NXJDRCYREQMUNP-GFCCVEGCSA-N 1 2 293.323 2.017 20 5 CEBDLO Cc1c[nH+]ccc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120015783 810795483 /nfs/dbraw/zinc/79/54/83/810795483.db2.gz VAZWMBQGKVMDTD-UHFFFAOYSA-N 1 2 299.333 2.161 20 5 CEBDLO C[C@@H]1COCC[N@@H+]1CCSc1cccc([N+](=O)[O-])c1 ZINC000337907838 214309781 /nfs/dbraw/zinc/30/97/81/214309781.db2.gz DWKIIUMIVHGHRR-LLVKDONJSA-N 1 2 282.365 2.408 20 5 CEBDLO C[C@@H]1COCC[N@H+]1CCSc1cccc([N+](=O)[O-])c1 ZINC000337907838 214309784 /nfs/dbraw/zinc/30/97/84/214309784.db2.gz DWKIIUMIVHGHRR-LLVKDONJSA-N 1 2 282.365 2.408 20 5 CEBDLO CC1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC[S@]1=O ZINC000449569108 282286878 /nfs/dbraw/zinc/28/68/78/282286878.db2.gz ACPNJJMWOJQEIJ-HXUWFJFHSA-N 1 2 296.392 2.328 20 5 CEBDLO CC1(C)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC[S@]1=O ZINC000449569108 282286881 /nfs/dbraw/zinc/28/68/81/282286881.db2.gz ACPNJJMWOJQEIJ-HXUWFJFHSA-N 1 2 296.392 2.328 20 5 CEBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000081052494 344037794 /nfs/dbraw/zinc/03/77/94/344037794.db2.gz GWTWVFVXWGUQJG-LLVKDONJSA-N 1 2 290.241 2.094 20 5 CEBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000081052494 344037796 /nfs/dbraw/zinc/03/77/96/344037796.db2.gz GWTWVFVXWGUQJG-LLVKDONJSA-N 1 2 290.241 2.094 20 5 CEBDLO Cn1cc(C[N@@H+]2CCc3cccc(F)c3C2)c([N+](=O)[O-])n1 ZINC000602474523 347049101 /nfs/dbraw/zinc/04/91/01/347049101.db2.gz XPKDNELMDHTSIF-UHFFFAOYSA-N 1 2 290.298 2.026 20 5 CEBDLO Cn1cc(C[N@H+]2CCc3cccc(F)c3C2)c([N+](=O)[O-])n1 ZINC000602474523 347049102 /nfs/dbraw/zinc/04/91/02/347049102.db2.gz XPKDNELMDHTSIF-UHFFFAOYSA-N 1 2 290.298 2.026 20 5 CEBDLO C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000141055279 344400374 /nfs/dbraw/zinc/40/03/74/344400374.db2.gz QDTISEHRFNPFJZ-SSDOTTSWSA-N 1 2 294.698 2.462 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ncc[nH]1 ZINC000285891047 344678976 /nfs/dbraw/zinc/67/89/76/344678976.db2.gz CGTNAXYNRQIJNH-VIFPVBQESA-N 1 2 276.296 2.177 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1[nH]cc[nH+]1 ZINC000285891047 344678977 /nfs/dbraw/zinc/67/89/77/344678977.db2.gz CGTNAXYNRQIJNH-VIFPVBQESA-N 1 2 276.296 2.177 20 5 CEBDLO CCn1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)nn1 ZINC000404406278 344880192 /nfs/dbraw/zinc/88/01/92/344880192.db2.gz DIQPOLQGXHVKFQ-UHFFFAOYSA-N 1 2 295.730 2.149 20 5 CEBDLO C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])cn1)c1cccs1 ZINC000273233565 192082931 /nfs/dbraw/zinc/08/29/31/192082931.db2.gz XOQBBGJTMAYNPU-JTQLQIEISA-N 1 2 293.352 2.161 20 5 CEBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000584662905 344974603 /nfs/dbraw/zinc/97/46/03/344974603.db2.gz OMNPKMGPBHALTG-GFCCVEGCSA-N 1 2 291.351 2.490 20 5 CEBDLO O=[N+]([O-])c1ccc(N2CCc3[nH+]c[nH]c3C2)c2ccncc21 ZINC000590567849 345145900 /nfs/dbraw/zinc/14/59/00/345145900.db2.gz USKPUPXYHUNIKH-UHFFFAOYSA-N 1 2 295.302 2.429 20 5 CEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3C[C@@H]4CC[C@@H](O)[C@@H]4C3)c2c1 ZINC000591154988 345226145 /nfs/dbraw/zinc/22/61/45/345226145.db2.gz MZJCPLHSQZAYCN-NILFDRSVSA-N 1 2 299.330 2.350 20 5 CEBDLO CC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000593069212 345432873 /nfs/dbraw/zinc/43/28/73/345432873.db2.gz HVJILYMEVKELLR-GFCCVEGCSA-N 1 2 280.324 2.301 20 5 CEBDLO CC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000593069212 345432875 /nfs/dbraw/zinc/43/28/75/345432875.db2.gz HVJILYMEVKELLR-GFCCVEGCSA-N 1 2 280.324 2.301 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc[nH+]cc1 ZINC000105565110 232194239 /nfs/dbraw/zinc/19/42/39/232194239.db2.gz FRRGRBRHPQQZCX-UHFFFAOYSA-N 1 2 293.304 2.099 20 5 CEBDLO CCn1cc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)nn1 ZINC000595067793 345738949 /nfs/dbraw/zinc/73/89/49/345738949.db2.gz IRIYPQPPGVMUGK-NSHDSACASA-N 1 2 289.339 2.365 20 5 CEBDLO Cc1ccc(C[NH2+][C@@H]2C[C@H](C)n3ncnc32)cc1[N+](=O)[O-] ZINC000594957424 345716326 /nfs/dbraw/zinc/71/63/26/345716326.db2.gz OQBGRVIZFNJDJV-CMPLNLGQSA-N 1 2 287.323 2.290 20 5 CEBDLO Cc1noc(C[N@H+]2C[C@@H](C)OC3(CCCC3)C2)c1[N+](=O)[O-] ZINC000595570509 345816335 /nfs/dbraw/zinc/81/63/35/345816335.db2.gz WBFRWUKHWUEQBF-SNVBAGLBSA-N 1 2 295.339 2.425 20 5 CEBDLO Cc1noc(C[N@@H+]2C[C@@H](C)OC3(CCCC3)C2)c1[N+](=O)[O-] ZINC000595570509 345816338 /nfs/dbraw/zinc/81/63/38/345816338.db2.gz WBFRWUKHWUEQBF-SNVBAGLBSA-N 1 2 295.339 2.425 20 5 CEBDLO COC[C@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])c1ccccc1 ZINC000595416381 345777011 /nfs/dbraw/zinc/77/70/11/345777011.db2.gz WBTUNCPBBIAOFI-LBPRGKRZSA-N 1 2 291.307 2.369 20 5 CEBDLO CC(=O)NCCCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599019519 346447759 /nfs/dbraw/zinc/44/77/59/346447759.db2.gz GBIMTLLVAKVEFJ-UHFFFAOYSA-N 1 2 288.307 2.081 20 5 CEBDLO CCNc1ccc(-c2cc([N+](=O)[O-])ccc2CCO)c[nH+]1 ZINC000600791043 346691551 /nfs/dbraw/zinc/69/15/51/346691551.db2.gz DHAVOJRJCLJXTB-UHFFFAOYSA-N 1 2 287.319 2.045 20 5 CEBDLO O=[N+]([O-])c1ccc(NCCCn2cc[nH+]c2)s1 ZINC000604408757 347414570 /nfs/dbraw/zinc/41/45/70/347414570.db2.gz HWSCWPUYNPRVMT-UHFFFAOYSA-N 1 2 252.299 2.355 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]21 ZINC000610762635 347712255 /nfs/dbraw/zinc/71/22/55/347712255.db2.gz IBQHQEMXCWIIKB-SMDDNHRTSA-N 1 2 289.335 2.326 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]21 ZINC000610762635 347712258 /nfs/dbraw/zinc/71/22/58/347712258.db2.gz IBQHQEMXCWIIKB-SMDDNHRTSA-N 1 2 289.335 2.326 20 5 CEBDLO O=C(C[N@@H+]1CC[C@H](C(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000611179997 347748598 /nfs/dbraw/zinc/74/85/98/347748598.db2.gz PJIHDQHGRWPYPW-VIFPVBQESA-N 1 2 299.277 2.120 20 5 CEBDLO O=C(C[N@H+]1CC[C@H](C(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000611179997 347748599 /nfs/dbraw/zinc/74/85/99/347748599.db2.gz PJIHDQHGRWPYPW-VIFPVBQESA-N 1 2 299.277 2.120 20 5 CEBDLO CNc1ccc(Nc2ncnc3ccc([N+](=O)[O-])cc32)c[nH+]1 ZINC000611701824 347806700 /nfs/dbraw/zinc/80/67/00/347806700.db2.gz QXBZPHKNKDGFDI-UHFFFAOYSA-N 1 2 296.290 2.140 20 5 CEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC=CCC1 ZINC000611517509 347789267 /nfs/dbraw/zinc/78/92/67/347789267.db2.gz JVPGUTIOXFKRGO-LLVKDONJSA-N 1 2 275.308 2.184 20 5 CEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC=CCC1 ZINC000611517509 347789269 /nfs/dbraw/zinc/78/92/69/347789269.db2.gz JVPGUTIOXFKRGO-LLVKDONJSA-N 1 2 275.308 2.184 20 5 CEBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC=CCC3)o2)cc1 ZINC000611517452 347789292 /nfs/dbraw/zinc/78/92/92/347789292.db2.gz CRZWRQURWSKFFF-UHFFFAOYSA-N 1 2 286.291 2.407 20 5 CEBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC=CCC3)o2)cc1 ZINC000611517452 347789294 /nfs/dbraw/zinc/78/92/94/347789294.db2.gz CRZWRQURWSKFFF-UHFFFAOYSA-N 1 2 286.291 2.407 20 5 CEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC=CCC1 ZINC000611517797 347789938 /nfs/dbraw/zinc/78/99/38/347789938.db2.gz JMTYCYXISGBJFS-UHFFFAOYSA-N 1 2 298.302 2.183 20 5 CEBDLO Cc1c(C[NH+]2CC(O)(C(C)C)C2)cccc1[N+](=O)[O-] ZINC000089676600 179845318 /nfs/dbraw/zinc/84/53/18/179845318.db2.gz DSAXXMARIJHLMD-UHFFFAOYSA-N 1 2 264.325 2.106 20 5 CEBDLO COCCCOCC[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000091101739 180097563 /nfs/dbraw/zinc/09/75/63/180097563.db2.gz UZENLXBIXKUQHT-UHFFFAOYSA-N 1 2 288.369 2.141 20 5 CEBDLO COCCCOCC[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000091101739 180097565 /nfs/dbraw/zinc/09/75/65/180097565.db2.gz UZENLXBIXKUQHT-UHFFFAOYSA-N 1 2 288.369 2.141 20 5 CEBDLO COc1nccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000294610195 199106651 /nfs/dbraw/zinc/10/66/51/199106651.db2.gz WCQJNVMEICDVHJ-UHFFFAOYSA-N 1 2 288.307 2.025 20 5 CEBDLO COc1nccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000294610195 199106652 /nfs/dbraw/zinc/10/66/52/199106652.db2.gz WCQJNVMEICDVHJ-UHFFFAOYSA-N 1 2 288.307 2.025 20 5 CEBDLO CC(C)c1nnc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000294784172 199181146 /nfs/dbraw/zinc/18/11/46/199181146.db2.gz LLRAZKHYFQXEFP-UHFFFAOYSA-N 1 2 275.312 2.126 20 5 CEBDLO CCn1c[nH+]cc1CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000417728014 237256618 /nfs/dbraw/zinc/25/66/18/237256618.db2.gz OVCDWJOYFIJFGO-UHFFFAOYSA-N 1 2 274.324 2.443 20 5 CEBDLO CCOC1C[NH+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000297516115 200216150 /nfs/dbraw/zinc/21/61/50/200216150.db2.gz WJCUODWPCPJOFJ-UHFFFAOYSA-N 1 2 250.298 2.124 20 5 CEBDLO CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1[nH]cc[nH+]1 ZINC000140598101 366561771 /nfs/dbraw/zinc/56/17/71/366561771.db2.gz HHILCAYWPSSWBS-SSDOTTSWSA-N 1 2 280.309 2.261 20 5 CEBDLO Cc1n[nH]cc1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000179316794 189185256 /nfs/dbraw/zinc/18/52/56/189185256.db2.gz RWXVKROFDGQHOG-UHFFFAOYSA-N 1 2 260.297 2.258 20 5 CEBDLO Cc1n[nH]cc1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000179316794 189185257 /nfs/dbraw/zinc/18/52/57/189185257.db2.gz RWXVKROFDGQHOG-UHFFFAOYSA-N 1 2 260.297 2.258 20 5 CEBDLO O=[N+]([O-])c1cnc(NCCCc2[nH]c3ccccc3[nH+]2)nc1 ZINC000302112021 201345118 /nfs/dbraw/zinc/34/51/18/201345118.db2.gz PWRCHRJELBGQIG-UHFFFAOYSA-N 1 2 298.306 2.306 20 5 CEBDLO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000348289406 291297998 /nfs/dbraw/zinc/29/79/98/291297998.db2.gz XFJIWBPUBFKTLD-JGVFFNPUSA-N 1 2 292.261 2.101 20 5 CEBDLO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000348289406 291298000 /nfs/dbraw/zinc/29/80/00/291298000.db2.gz XFJIWBPUBFKTLD-JGVFFNPUSA-N 1 2 292.261 2.101 20 5 CEBDLO CCOCC[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000093316362 364164592 /nfs/dbraw/zinc/16/45/92/364164592.db2.gz CZBIIKQQQRPTMF-UHFFFAOYSA-N 1 2 256.277 2.202 20 5 CEBDLO CCOCC[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000093316362 364164595 /nfs/dbraw/zinc/16/45/95/364164595.db2.gz CZBIIKQQQRPTMF-UHFFFAOYSA-N 1 2 256.277 2.202 20 5 CEBDLO Cc1[nH]c2ccc(NC(=O)c3ccc([N+](=O)[O-])n3C)cc2[nH+]1 ZINC000340967633 367111072 /nfs/dbraw/zinc/11/10/72/367111072.db2.gz DZSFNQFHPRSKDW-UHFFFAOYSA-N 1 2 299.290 2.370 20 5 CEBDLO Cc1[nH]c2cc(NC(=O)c3ccc([N+](=O)[O-])n3C)ccc2[nH+]1 ZINC000340967633 367111078 /nfs/dbraw/zinc/11/10/78/367111078.db2.gz DZSFNQFHPRSKDW-UHFFFAOYSA-N 1 2 299.290 2.370 20 5 CEBDLO Cc1nnc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000180435252 368382047 /nfs/dbraw/zinc/38/20/47/368382047.db2.gz ASROYCQCRPRKNV-MRVPVSSYSA-N 1 2 262.269 2.137 20 5 CEBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCOCC(F)F)CC2 ZINC000346486198 368691733 /nfs/dbraw/zinc/69/17/33/368691733.db2.gz JHGBXFNHEGBOJQ-UHFFFAOYSA-N 1 2 286.278 2.235 20 5 CEBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCOCC(F)F)CC2 ZINC000346486198 368691737 /nfs/dbraw/zinc/69/17/37/368691737.db2.gz JHGBXFNHEGBOJQ-UHFFFAOYSA-N 1 2 286.278 2.235 20 5 CEBDLO C[N@H+](CCCCO)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000349922714 369454326 /nfs/dbraw/zinc/45/43/26/369454326.db2.gz SIHOWEYKPBEDAS-UHFFFAOYSA-N 1 2 272.732 2.453 20 5 CEBDLO C[N@@H+](CCCCO)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000349922714 369454331 /nfs/dbraw/zinc/45/43/31/369454331.db2.gz SIHOWEYKPBEDAS-UHFFFAOYSA-N 1 2 272.732 2.453 20 5 CEBDLO CO[C@@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000352016088 369659177 /nfs/dbraw/zinc/65/91/77/369659177.db2.gz UYUYKIFYPKBURI-SECBINFHSA-N 1 2 272.251 2.094 20 5 CEBDLO CO[C@@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000352016088 369659183 /nfs/dbraw/zinc/65/91/83/369659183.db2.gz UYUYKIFYPKBURI-SECBINFHSA-N 1 2 272.251 2.094 20 5 CEBDLO C[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352407628 369715565 /nfs/dbraw/zinc/71/55/65/369715565.db2.gz QZDPUHGJTSHQEY-RKDXNWHRSA-N 1 2 286.278 2.076 20 5 CEBDLO C[C@@H]1[C@@H](CO)CC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352407628 369715571 /nfs/dbraw/zinc/71/55/71/369715571.db2.gz QZDPUHGJTSHQEY-RKDXNWHRSA-N 1 2 286.278 2.076 20 5 CEBDLO C[C@H]1CC[C@H](C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)O1 ZINC000352704772 369846692 /nfs/dbraw/zinc/84/66/92/369846692.db2.gz GZGMQMOKJOXANW-SMDDNHRTSA-N 1 2 292.335 2.357 20 5 CEBDLO C[C@H]1CC[C@H](C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)O1 ZINC000352704772 369846698 /nfs/dbraw/zinc/84/66/98/369846698.db2.gz GZGMQMOKJOXANW-SMDDNHRTSA-N 1 2 292.335 2.357 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@H]3CCC[C@H]32)cc1F ZINC000227400936 370370984 /nfs/dbraw/zinc/37/09/84/370370984.db2.gz IGKWWGMSDSYQTM-KGLIPLIRSA-N 1 2 280.299 2.487 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@H]3CCC[C@H]32)cc1F ZINC000227400936 370370988 /nfs/dbraw/zinc/37/09/88/370370988.db2.gz IGKWWGMSDSYQTM-KGLIPLIRSA-N 1 2 280.299 2.487 20 5 CEBDLO Cc1cc(C)c([N+](=O)[O-])c(N(C)CCCn2cc[nH+]c2)n1 ZINC000359080670 371330024 /nfs/dbraw/zinc/33/00/24/371330024.db2.gz GRBBXBYPCTYESF-UHFFFAOYSA-N 1 2 289.339 2.330 20 5 CEBDLO COC(=O)[C@@H](C)[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000361176530 371699168 /nfs/dbraw/zinc/69/91/68/371699168.db2.gz WSTBIDZBUWPXLA-BPOWMSRESA-N 1 2 278.308 2.101 20 5 CEBDLO COC(=O)[C@@H](C)[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000361176530 371699173 /nfs/dbraw/zinc/69/91/73/371699173.db2.gz WSTBIDZBUWPXLA-BPOWMSRESA-N 1 2 278.308 2.101 20 5 CEBDLO C[N@H+](Cc1cnc(N)s1)Cc1ccccc1[N+](=O)[O-] ZINC000262032157 371806669 /nfs/dbraw/zinc/80/66/69/371806669.db2.gz ODLRZNPXUXABQX-UHFFFAOYSA-N 1 2 278.337 2.266 20 5 CEBDLO C[N@@H+](Cc1cnc(N)s1)Cc1ccccc1[N+](=O)[O-] ZINC000262032157 371806676 /nfs/dbraw/zinc/80/66/76/371806676.db2.gz ODLRZNPXUXABQX-UHFFFAOYSA-N 1 2 278.337 2.266 20 5 CEBDLO CN(Cc1cn2c([nH+]1)CCCC2)c1ncccc1[N+](=O)[O-] ZINC000369350644 373393189 /nfs/dbraw/zinc/39/31/89/373393189.db2.gz VOBPKIHYZXIIFZ-UHFFFAOYSA-N 1 2 287.323 2.159 20 5 CEBDLO Cc1cnn(C2C[NH+](Cc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000372591536 374163673 /nfs/dbraw/zinc/16/36/73/374163673.db2.gz XJUFRAURJHGSPH-UHFFFAOYSA-N 1 2 272.308 2.157 20 5 CEBDLO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000299695633 296225581 /nfs/dbraw/zinc/22/55/81/296225581.db2.gz YAAQUGUVLLIYMZ-SNVBAGLBSA-N 1 2 289.295 2.013 20 5 CEBDLO CC(C)(C)n1ncnc1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000282664530 375543905 /nfs/dbraw/zinc/54/39/05/375543905.db2.gz MHLVBQVRRNKJAI-UHFFFAOYSA-N 1 2 289.339 2.231 20 5 CEBDLO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@@H]1CCCO1 ZINC000286176839 375863736 /nfs/dbraw/zinc/86/37/36/375863736.db2.gz ZBROUVHQSPVHHF-JTQLQIEISA-N 1 2 286.278 2.484 20 5 CEBDLO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@@H]1CCCO1 ZINC000286176839 375863739 /nfs/dbraw/zinc/86/37/39/375863739.db2.gz ZBROUVHQSPVHHF-JTQLQIEISA-N 1 2 286.278 2.484 20 5 CEBDLO C[N@@H+](Cc1csc([N+](=O)[O-])c1)C[C@@H](O)C(F)(F)F ZINC000305780336 376488817 /nfs/dbraw/zinc/48/88/17/376488817.db2.gz SUFZLWUHJHBLFW-SSDOTTSWSA-N 1 2 284.259 2.011 20 5 CEBDLO C[N@H+](Cc1csc([N+](=O)[O-])c1)C[C@@H](O)C(F)(F)F ZINC000305780336 376488823 /nfs/dbraw/zinc/48/88/23/376488823.db2.gz SUFZLWUHJHBLFW-SSDOTTSWSA-N 1 2 284.259 2.011 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@H](O)CC12CCC2 ZINC000420989683 376760005 /nfs/dbraw/zinc/76/00/05/376760005.db2.gz CSEPONCZNHCGCS-CYBMUJFWSA-N 1 2 292.335 2.180 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@H](O)CC12CCC2 ZINC000420989683 376760010 /nfs/dbraw/zinc/76/00/10/376760010.db2.gz CSEPONCZNHCGCS-CYBMUJFWSA-N 1 2 292.335 2.180 20 5 CEBDLO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H](C)Cn1cc[nH+]c1 ZINC000290553684 376830967 /nfs/dbraw/zinc/83/09/67/376830967.db2.gz QTDMJFXEQUJVOM-JTQLQIEISA-N 1 2 288.307 2.495 20 5 CEBDLO CCn1nc(C)c([N+](=O)[O-])c1NCc1c[nH+]ccc1OC ZINC000292859784 377316771 /nfs/dbraw/zinc/31/67/71/377316771.db2.gz WRHTXUWTORNUSC-UHFFFAOYSA-N 1 2 291.311 2.135 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+](CCO)C1CCCCC1 ZINC000331186157 377319528 /nfs/dbraw/zinc/31/95/28/377319528.db2.gz NPMNEAFOPSFCHX-UHFFFAOYSA-N 1 2 294.351 2.427 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+](CCO)C1CCCCC1 ZINC000331186157 377319537 /nfs/dbraw/zinc/31/95/37/377319537.db2.gz NPMNEAFOPSFCHX-UHFFFAOYSA-N 1 2 294.351 2.427 20 5 CEBDLO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000331200861 377324798 /nfs/dbraw/zinc/32/47/98/377324798.db2.gz NDUIAINSISATBX-ZDUSSCGKSA-N 1 2 280.324 2.036 20 5 CEBDLO CC(C)(O)[C@@H]1CCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000331200861 377324807 /nfs/dbraw/zinc/32/48/07/377324807.db2.gz NDUIAINSISATBX-ZDUSSCGKSA-N 1 2 280.324 2.036 20 5 CEBDLO COc1cc[nH+]cc1CNc1ncc(C)cc1[N+](=O)[O-] ZINC000431409290 377635959 /nfs/dbraw/zinc/63/59/59/377635959.db2.gz FIVQBFPLAJJDIL-UHFFFAOYSA-N 1 2 274.280 2.314 20 5 CEBDLO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])nc2)c2[nH+]ccn21 ZINC000450821457 378594566 /nfs/dbraw/zinc/59/45/66/378594566.db2.gz RDHVUIJKNWRDOB-WPRPVWTQSA-N 1 2 259.269 2.304 20 5 CEBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCn2ncnc2C1 ZINC000347383366 218213721 /nfs/dbraw/zinc/21/37/21/218213721.db2.gz WNUXZQUZMCEUAH-GHXNOFRVSA-N 1 2 299.334 2.105 20 5 CEBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCn2ncnc2C1 ZINC000347383366 218213723 /nfs/dbraw/zinc/21/37/23/218213723.db2.gz WNUXZQUZMCEUAH-GHXNOFRVSA-N 1 2 299.334 2.105 20 5 CEBDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000347525241 218263208 /nfs/dbraw/zinc/26/32/08/218263208.db2.gz SBFQQUBLJCIWMY-UHFFFAOYSA-N 1 2 299.290 2.071 20 5 CEBDLO COC(=O)[C@]1(F)CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000267717358 190349802 /nfs/dbraw/zinc/34/98/02/190349802.db2.gz XUWVRJLJAZJXCK-YGRLFVJLSA-N 1 2 296.298 2.243 20 5 CEBDLO COC(=O)[C@]1(F)CC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000267717358 190349803 /nfs/dbraw/zinc/34/98/03/190349803.db2.gz XUWVRJLJAZJXCK-YGRLFVJLSA-N 1 2 296.298 2.243 20 5 CEBDLO O=[N+]([O-])c1ccc(N2CCn3c[nH+]cc3C2)c2ccncc21 ZINC000377988026 285132592 /nfs/dbraw/zinc/13/25/92/285132592.db2.gz NRJDXKAXVWOLOP-UHFFFAOYSA-N 1 2 295.302 2.360 20 5 CEBDLO CCn1nc(C)c([N+](=O)[O-])c1Nc1ccc(NC)[nH+]c1 ZINC000192506336 130459779 /nfs/dbraw/zinc/45/97/79/130459779.db2.gz WHHMAMGGLRFMBU-UHFFFAOYSA-N 1 2 276.300 2.300 20 5 CEBDLO C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000247928523 131107473 /nfs/dbraw/zinc/10/74/73/131107473.db2.gz BOXVQDURJVUROZ-WDEREUQCSA-N 1 2 250.298 2.204 20 5 CEBDLO C[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000247928523 131107474 /nfs/dbraw/zinc/10/74/74/131107474.db2.gz BOXVQDURJVUROZ-WDEREUQCSA-N 1 2 250.298 2.204 20 5 CEBDLO C[C@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000413041703 394471852 /nfs/dbraw/zinc/47/18/52/394471852.db2.gz XNYXZOOBSUUMTB-JTQLQIEISA-N 1 2 273.292 2.368 20 5 CEBDLO C[C@@H](CO)CCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413199438 394502920 /nfs/dbraw/zinc/50/29/20/394502920.db2.gz DAFPLPVDTNMROP-LLVKDONJSA-N 1 2 289.335 2.385 20 5 CEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCCCCCO)c2c1 ZINC000413268719 394516178 /nfs/dbraw/zinc/51/61/78/394516178.db2.gz ONDHXBLLVWXGJR-UHFFFAOYSA-N 1 2 275.308 2.139 20 5 CEBDLO CC[C@@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@H]1O ZINC000413214711 394505305 /nfs/dbraw/zinc/50/53/05/394505305.db2.gz WNUQYOHIQFPLTI-QMTHXVAHSA-N 1 2 287.319 2.350 20 5 CEBDLO Cc1ncc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)o1 ZINC000397906627 395229493 /nfs/dbraw/zinc/22/94/93/395229493.db2.gz WHBMEXGBNRPTMG-UHFFFAOYSA-N 1 2 265.244 2.320 20 5 CEBDLO Cn1c[nH+]cc1COc1cc(F)cc([N+](=O)[O-])c1 ZINC000433416470 395231980 /nfs/dbraw/zinc/23/19/80/395231980.db2.gz BUYPGOAUQRJICB-UHFFFAOYSA-N 1 2 251.217 2.046 20 5 CEBDLO C[C@@]1(CO)CCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000573346736 395605987 /nfs/dbraw/zinc/60/59/87/395605987.db2.gz YTARWSCSDHJANV-ZDUSSCGKSA-N 1 2 286.278 2.220 20 5 CEBDLO C[C@@]1(CO)CCC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000573346736 395605989 /nfs/dbraw/zinc/60/59/89/395605989.db2.gz YTARWSCSDHJANV-ZDUSSCGKSA-N 1 2 286.278 2.220 20 5 CEBDLO COc1ccc(OCC[N@@H+]2CC[C@H](F)C2)c([N+](=O)[O-])c1 ZINC000451192328 395591673 /nfs/dbraw/zinc/59/16/73/395591673.db2.gz SQCSPPRZBOWXMO-JTQLQIEISA-N 1 2 284.287 2.026 20 5 CEBDLO COc1ccc(OCC[N@H+]2CC[C@H](F)C2)c([N+](=O)[O-])c1 ZINC000451192328 395591674 /nfs/dbraw/zinc/59/16/74/395591674.db2.gz SQCSPPRZBOWXMO-JTQLQIEISA-N 1 2 284.287 2.026 20 5 CEBDLO Cc1ccnc(NCc2ccc[nH+]c2N(C)C)c1[N+](=O)[O-] ZINC000360269864 155257190 /nfs/dbraw/zinc/25/71/90/155257190.db2.gz CCNMRFHIZMCOTB-UHFFFAOYSA-N 1 2 287.323 2.371 20 5 CEBDLO C[N@H+](Cc1ccnc(N)c1)Cc1ccccc1[N+](=O)[O-] ZINC000193296146 153231752 /nfs/dbraw/zinc/23/17/52/153231752.db2.gz QWUVETBFPMPPFQ-UHFFFAOYSA-N 1 2 272.308 2.204 20 5 CEBDLO C[N@@H+](Cc1ccnc(N)c1)Cc1ccccc1[N+](=O)[O-] ZINC000193296146 153231757 /nfs/dbraw/zinc/23/17/57/153231757.db2.gz QWUVETBFPMPPFQ-UHFFFAOYSA-N 1 2 272.308 2.204 20 5 CEBDLO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCn2cc[nH+]c2C1 ZINC000332609170 287152617 /nfs/dbraw/zinc/15/26/17/287152617.db2.gz LHLWZNPPZAJALJ-NSHDSACASA-N 1 2 272.308 2.368 20 5 CEBDLO C[C@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H]1CO ZINC000285166904 196211887 /nfs/dbraw/zinc/21/18/87/196211887.db2.gz CGBLNJAYAWICGS-SDBXPKJASA-N 1 2 286.278 2.076 20 5 CEBDLO C[C@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H]1CO ZINC000285166904 196211889 /nfs/dbraw/zinc/21/18/89/196211889.db2.gz CGBLNJAYAWICGS-SDBXPKJASA-N 1 2 286.278 2.076 20 5 CEBDLO Cc1cc(C[NH2+]Cc2csc([N+](=O)[O-])c2)on1 ZINC000044987372 175284341 /nfs/dbraw/zinc/28/43/41/175284341.db2.gz RTDYCUHIEIUVSC-UHFFFAOYSA-N 1 2 253.283 2.243 20 5 CEBDLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000392380132 270340281 /nfs/dbraw/zinc/34/02/81/270340281.db2.gz RGZFKHJNKJPBJM-DTWKUNHWSA-N 1 2 275.312 2.433 20 5 CEBDLO Cc1nnc([C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000392380135 270340615 /nfs/dbraw/zinc/34/06/15/270340615.db2.gz RGZFKHJNKJPBJM-IUCAKERBSA-N 1 2 275.312 2.433 20 5 CEBDLO Cc1nn(C)c(NCc2c[nH+]c(C)cc2C)c1[N+](=O)[O-] ZINC000396964137 270350296 /nfs/dbraw/zinc/35/02/96/270350296.db2.gz FAKQSBUYTYAODK-UHFFFAOYSA-N 1 2 275.312 2.261 20 5 CEBDLO C[C@@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@H]1O ZINC000413227850 278559618 /nfs/dbraw/zinc/55/96/18/278559618.db2.gz PQQNBYJVARWCBL-QMTHXVAHSA-N 1 2 287.319 2.350 20 5 CEBDLO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000154119923 289135271 /nfs/dbraw/zinc/13/52/71/289135271.db2.gz KXMSQVKNLFKLEG-JTQLQIEISA-N 1 2 297.380 2.069 20 5 CEBDLO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000154119923 289135273 /nfs/dbraw/zinc/13/52/73/289135273.db2.gz KXMSQVKNLFKLEG-JTQLQIEISA-N 1 2 297.380 2.069 20 5 CEBDLO C[C@@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000456354752 289595420 /nfs/dbraw/zinc/59/54/20/289595420.db2.gz PWLKREANAVVPAU-SKDRFNHKSA-N 1 2 286.291 2.227 20 5 CEBDLO C[C@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000456354749 289595780 /nfs/dbraw/zinc/59/57/80/289595780.db2.gz PWLKREANAVVPAU-CABZTGNLSA-N 1 2 286.291 2.227 20 5 CEBDLO CCn1ncnc1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000530530209 298076681 /nfs/dbraw/zinc/07/66/81/298076681.db2.gz NKYQSTLITSRNKL-LLVKDONJSA-N 1 2 289.339 2.365 20 5 CEBDLO O=[N+]([O-])c1ccc(N2CC(n3cc[nH+]c3)C2)c2ccncc21 ZINC000531831728 298122536 /nfs/dbraw/zinc/12/25/36/298122536.db2.gz WQKLOBIPRNATLX-UHFFFAOYSA-N 1 2 295.302 2.401 20 5 CEBDLO Cn1cc[nH+]c1[C@@H]1N(c2ncccc2[N+](=O)[O-])CC1(C)C ZINC000296254243 303001505 /nfs/dbraw/zinc/00/15/05/303001505.db2.gz IZVOTZCMPNUQPG-NSHDSACASA-N 1 2 287.323 2.311 20 5 CEBDLO Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)c(C)c[nH+]1 ZINC000534299747 313380488 /nfs/dbraw/zinc/38/04/88/313380488.db2.gz BKGUBOPZTOPOMV-UHFFFAOYSA-N 1 2 271.276 2.281 20 5 CEBDLO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000572975490 314134468 /nfs/dbraw/zinc/13/44/68/314134468.db2.gz WOWJCOSMMKOHFQ-GFCCVEGCSA-N 1 2 299.334 2.367 20 5 CEBDLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000380170936 321828559 /nfs/dbraw/zinc/82/85/59/321828559.db2.gz KDHFNQDJBMMERU-VIFPVBQESA-N 1 2 288.307 2.046 20 5 CEBDLO C[C@H](NC(=O)C[NH+]1CC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000581261276 322382245 /nfs/dbraw/zinc/38/22/45/322382245.db2.gz HTRAFOGIRYYBKM-NSHDSACASA-N 1 2 291.351 2.114 20 5 CEBDLO Cc1ccc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)nn1 ZINC000414388345 533956764 /nfs/dbraw/zinc/95/67/64/533956764.db2.gz LMQIRSSMNVOIEU-UHFFFAOYSA-N 1 2 284.319 2.252 20 5 CEBDLO Cc1ccc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)nn1 ZINC000414388345 533956770 /nfs/dbraw/zinc/95/67/70/533956770.db2.gz LMQIRSSMNVOIEU-UHFFFAOYSA-N 1 2 284.319 2.252 20 5 CEBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](n3cccn3)C2)cs1 ZINC000365834455 527329221 /nfs/dbraw/zinc/32/92/21/527329221.db2.gz ASIFHYKMCOXXDR-LLVKDONJSA-N 1 2 278.337 2.300 20 5 CEBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](n3cccn3)C2)cs1 ZINC000365834455 527329224 /nfs/dbraw/zinc/32/92/24/527329224.db2.gz ASIFHYKMCOXXDR-LLVKDONJSA-N 1 2 278.337 2.300 20 5 CEBDLO C[C@H]([NH2+]Cc1csc(N)n1)c1ccc([N+](=O)[O-])cc1 ZINC000902489448 634704865 /nfs/dbraw/zinc/70/48/65/634704865.db2.gz RBBVLZIVOVMHRN-QMMMGPOBSA-N 1 2 278.337 2.484 20 5 CEBDLO CCn1c[nH+]c2c1CCN(c1cc(C)c([N+](=O)[O-])cn1)C2 ZINC000896660258 630624126 /nfs/dbraw/zinc/62/41/26/630624126.db2.gz MFBSJTXFWFYCLF-UHFFFAOYSA-N 1 2 287.323 2.077 20 5 CEBDLO COC(=O)[C@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000901641724 634223551 /nfs/dbraw/zinc/22/35/51/634223551.db2.gz BOHSXVCCPQLMEY-QMTHXVAHSA-N 1 2 292.335 2.240 20 5 CEBDLO COc1cc([C@H](C)[NH2+]Cc2ccn(C)n2)cc([N+](=O)[O-])c1 ZINC000903128716 634983730 /nfs/dbraw/zinc/98/37/30/634983730.db2.gz AEBMSEQHMGKLBM-JTQLQIEISA-N 1 2 290.323 2.188 20 5 CEBDLO CCn1nncc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000841869667 639894006 /nfs/dbraw/zinc/89/40/06/639894006.db2.gz YAMHOBGLYAJIAR-UHFFFAOYSA-N 1 2 295.730 2.149 20 5 CEBDLO C[C@@H]1CCOCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000775570650 646967129 /nfs/dbraw/zinc/96/71/29/646967129.db2.gz RBDWGKXTLSDTQN-SNVBAGLBSA-N 1 2 268.288 2.345 20 5 CEBDLO C[C@@H]1CCOCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000775570650 646967134 /nfs/dbraw/zinc/96/71/34/646967134.db2.gz RBDWGKXTLSDTQN-SNVBAGLBSA-N 1 2 268.288 2.345 20 5 CEBDLO Cc1ccc([C@@H]2CSCC[N@@H+]2CC[N+](=O)[O-])cc1 ZINC000791051428 648476310 /nfs/dbraw/zinc/47/63/10/648476310.db2.gz CUFLXJZYJNHIKE-ZDUSSCGKSA-N 1 2 266.366 2.362 20 5 CEBDLO Cc1ccc([C@@H]2CSCC[N@H+]2CC[N+](=O)[O-])cc1 ZINC000791051428 648476312 /nfs/dbraw/zinc/47/63/12/648476312.db2.gz CUFLXJZYJNHIKE-ZDUSSCGKSA-N 1 2 266.366 2.362 20 5 CEBDLO Nc1cc(CNc2nc(Cl)ccc2[N+](=O)[O-])cc[nH+]1 ZINC001167617398 803205336 /nfs/dbraw/zinc/20/53/36/803205336.db2.gz LPMRCOVCJWJQAK-UHFFFAOYSA-N 1 2 279.687 2.233 20 5 CEBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CC1=CCCOC1)C2 ZINC001116445051 814853632 /nfs/dbraw/zinc/85/36/32/814853632.db2.gz FPGXLAQBYFZDGZ-UHFFFAOYSA-N 1 2 260.293 2.257 20 5 CEBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CC1=CCCOC1)C2 ZINC001116445051 814853636 /nfs/dbraw/zinc/85/36/36/814853636.db2.gz FPGXLAQBYFZDGZ-UHFFFAOYSA-N 1 2 260.293 2.257 20 5 CEBDLO CN1CCCC[C@@H]([N@H+](C)Cc2ccccc2[N+](=O)[O-])C1=O ZINC000601967782 346945187 /nfs/dbraw/zinc/94/51/87/346945187.db2.gz BIKGJQUUWGKXHY-CQSZACIVSA-N 1 2 291.351 2.038 20 5 CEBDLO CN1CCCC[C@@H]([N@@H+](C)Cc2ccccc2[N+](=O)[O-])C1=O ZINC000601967782 346945189 /nfs/dbraw/zinc/94/51/89/346945189.db2.gz BIKGJQUUWGKXHY-CQSZACIVSA-N 1 2 291.351 2.038 20 5 CEBDLO CCn1cc[nH+]c1CNc1cc(C)c([N+](=O)[O-])cn1 ZINC000295007777 199297803 /nfs/dbraw/zinc/29/78/03/199297803.db2.gz OWWRSPUDMWDMHA-UHFFFAOYSA-N 1 2 261.285 2.127 20 5 CEBDLO Cc1cnc(NCc2ccc[nH+]c2N(C)C)c([N+](=O)[O-])c1 ZINC000078630483 343959168 /nfs/dbraw/zinc/95/91/68/343959168.db2.gz GBNKIQMZMJKKTI-UHFFFAOYSA-N 1 2 287.323 2.371 20 5 CEBDLO C[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000092971216 344208975 /nfs/dbraw/zinc/20/89/75/344208975.db2.gz XNKLHRDFQMYZOM-GWCFXTLKSA-N 1 2 280.324 2.036 20 5 CEBDLO C[C@H](O)[C@@H]1CCCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000092971216 344208977 /nfs/dbraw/zinc/20/89/77/344208977.db2.gz XNKLHRDFQMYZOM-GWCFXTLKSA-N 1 2 280.324 2.036 20 5 CEBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H](CO)C(C)(C)C ZINC000093821729 344230441 /nfs/dbraw/zinc/23/04/41/344230441.db2.gz VUEQFDYLQFEQRR-CYBMUJFWSA-N 1 2 282.340 2.139 20 5 CEBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H](CO)C(C)(C)C ZINC000093821729 344230443 /nfs/dbraw/zinc/23/04/43/344230443.db2.gz VUEQFDYLQFEQRR-CYBMUJFWSA-N 1 2 282.340 2.139 20 5 CEBDLO CC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000092406770 344187676 /nfs/dbraw/zinc/18/76/76/344187676.db2.gz VOQFZCRHUFUVNB-ZDUSSCGKSA-N 1 2 280.324 2.301 20 5 CEBDLO CC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000092406770 344187679 /nfs/dbraw/zinc/18/76/79/344187679.db2.gz VOQFZCRHUFUVNB-ZDUSSCGKSA-N 1 2 280.324 2.301 20 5 CEBDLO CC[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000092486781 344191450 /nfs/dbraw/zinc/19/14/50/344191450.db2.gz MHLDDGSTMPQVPX-GXFFZTMASA-N 1 2 280.324 2.300 20 5 CEBDLO CC[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000092486781 344191452 /nfs/dbraw/zinc/19/14/52/344191452.db2.gz MHLDDGSTMPQVPX-GXFFZTMASA-N 1 2 280.324 2.300 20 5 CEBDLO C[C@@H](c1ccco1)[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602438432 347033120 /nfs/dbraw/zinc/03/31/20/347033120.db2.gz IZUPVCNAPGQNNV-VIFPVBQESA-N 1 2 264.285 2.114 20 5 CEBDLO C[C@@H](c1ccco1)[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602438432 347033124 /nfs/dbraw/zinc/03/31/24/347033124.db2.gz IZUPVCNAPGQNNV-VIFPVBQESA-N 1 2 264.285 2.114 20 5 CEBDLO Cc1cc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)nc[nH+]1 ZINC000110216406 344268383 /nfs/dbraw/zinc/26/83/83/344268383.db2.gz LLUDVFHDTOVUQC-UHFFFAOYSA-N 1 2 299.334 2.020 20 5 CEBDLO CC[C@H]1C[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)CCO1 ZINC000051736947 362435550 /nfs/dbraw/zinc/43/55/50/362435550.db2.gz XPZALEJHBBWEJE-LBPRGKRZSA-N 1 2 280.324 2.214 20 5 CEBDLO CC[C@H]1C[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)CCO1 ZINC000051736947 362435553 /nfs/dbraw/zinc/43/55/53/362435553.db2.gz XPZALEJHBBWEJE-LBPRGKRZSA-N 1 2 280.324 2.214 20 5 CEBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2CF)c2c(c1)COCO2 ZINC000293106267 344691108 /nfs/dbraw/zinc/69/11/08/344691108.db2.gz QOIJYATZVSMZAQ-GFCCVEGCSA-N 1 2 296.298 2.395 20 5 CEBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]2CF)c2c(c1)COCO2 ZINC000293106267 344691111 /nfs/dbraw/zinc/69/11/11/344691111.db2.gz QOIJYATZVSMZAQ-GFCCVEGCSA-N 1 2 296.298 2.395 20 5 CEBDLO C[C@H]([NH2+]Cc1cnns1)c1ccccc1[N+](=O)[O-] ZINC000400264637 344861257 /nfs/dbraw/zinc/86/12/57/344861257.db2.gz NOJFZZIJMFBAJC-QMMMGPOBSA-N 1 2 264.310 2.297 20 5 CEBDLO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1csc([N+](=O)[O-])c1 ZINC000589260801 345074427 /nfs/dbraw/zinc/07/44/27/345074427.db2.gz IANZQTGOVKPCPQ-AOOOYVTPSA-N 1 2 266.322 2.352 20 5 CEBDLO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1csc([N+](=O)[O-])c1 ZINC000589260801 345074429 /nfs/dbraw/zinc/07/44/29/345074429.db2.gz IANZQTGOVKPCPQ-AOOOYVTPSA-N 1 2 266.322 2.352 20 5 CEBDLO O=[N+]([O-])c1cnc(N2CCC[C@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000591144991 345224337 /nfs/dbraw/zinc/22/43/37/345224337.db2.gz GANOZXZLZMQZRD-JTQLQIEISA-N 1 2 291.286 2.167 20 5 CEBDLO COc1ncncc1C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000592366158 345346461 /nfs/dbraw/zinc/34/64/61/345346461.db2.gz YFKMTZCEVOBSQW-SNVBAGLBSA-N 1 2 288.307 2.244 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000594215483 345598839 /nfs/dbraw/zinc/59/88/39/345598839.db2.gz QITOXBXCCQYJPQ-NSHDSACASA-N 1 2 277.324 2.182 20 5 CEBDLO Cn1cc(C[N@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000595288834 345754688 /nfs/dbraw/zinc/75/46/88/345754688.db2.gz PVMPTUZLPXVGAQ-UHFFFAOYSA-N 1 2 278.287 2.099 20 5 CEBDLO Cn1cc(C[N@@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000595288834 345754690 /nfs/dbraw/zinc/75/46/90/345754690.db2.gz PVMPTUZLPXVGAQ-UHFFFAOYSA-N 1 2 278.287 2.099 20 5 CEBDLO Cc1cn2c([nH+]1)CN(Cc1ccc(F)cc1[N+](=O)[O-])CC2 ZINC000595426949 345780013 /nfs/dbraw/zinc/78/00/13/345780013.db2.gz UPSGETATOLEXOF-UHFFFAOYSA-N 1 2 290.298 2.255 20 5 CEBDLO Cc1noc(C[N@@H+]2CCC[C@H](OC(F)F)C2)c1[N+](=O)[O-] ZINC000595430899 345780912 /nfs/dbraw/zinc/78/09/12/345780912.db2.gz PVEGNYUFDUSVIE-QMMMGPOBSA-N 1 2 291.254 2.095 20 5 CEBDLO Cc1noc(C[N@H+]2CCC[C@H](OC(F)F)C2)c1[N+](=O)[O-] ZINC000595430899 345780917 /nfs/dbraw/zinc/78/09/17/345780917.db2.gz PVEGNYUFDUSVIE-QMMMGPOBSA-N 1 2 291.254 2.095 20 5 CEBDLO Cc1cc(NCC[N@H+]2C[C@@H](C)OC[C@H]2C)c([N+](=O)[O-])s1 ZINC000596433991 346022580 /nfs/dbraw/zinc/02/25/80/346022580.db2.gz WCNXOMWLJMVEGM-NXEZZACHSA-N 1 2 299.396 2.486 20 5 CEBDLO Cc1cc(NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)c([N+](=O)[O-])s1 ZINC000596433991 346022581 /nfs/dbraw/zinc/02/25/81/346022581.db2.gz WCNXOMWLJMVEGM-NXEZZACHSA-N 1 2 299.396 2.486 20 5 CEBDLO CC1(O)CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599057352 346453805 /nfs/dbraw/zinc/45/38/05/346453805.db2.gz MWCLXUUSNVFMJF-UHFFFAOYSA-N 1 2 287.319 2.494 20 5 CEBDLO C[C@@H](C[S@@](C)=O)Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599066652 346454670 /nfs/dbraw/zinc/45/46/70/346454670.db2.gz URVLHJMBTWXLHT-GWNMQOMSSA-N 1 2 293.348 2.322 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@@H](CCF)C1 ZINC000600206485 346622846 /nfs/dbraw/zinc/62/28/46/346622846.db2.gz ZKPVIRJSGKQUIZ-AWEZNQCLSA-N 1 2 282.315 2.464 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@@H](CCF)C1 ZINC000600206485 346622849 /nfs/dbraw/zinc/62/28/49/346622849.db2.gz ZKPVIRJSGKQUIZ-AWEZNQCLSA-N 1 2 282.315 2.464 20 5 CEBDLO COC[C@]1(C)C[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000599692554 346569284 /nfs/dbraw/zinc/56/92/84/346569284.db2.gz JYNWNJVJPZVWQU-DOMZBBRYSA-N 1 2 294.351 2.393 20 5 CEBDLO COC[C@]1(C)C[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000599692554 346569288 /nfs/dbraw/zinc/56/92/88/346569288.db2.gz JYNWNJVJPZVWQU-DOMZBBRYSA-N 1 2 294.351 2.393 20 5 CEBDLO C[C@H]1C[C@H](Nc2ncc(F)cc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000601171700 346777230 /nfs/dbraw/zinc/77/72/30/346777230.db2.gz OFOKYZJWZNEHJM-CBAPKCEASA-N 1 2 277.259 2.443 20 5 CEBDLO C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2[N+](=O)[O-])[C@@H](C)C(=O)N1C ZINC000602848405 347223498 /nfs/dbraw/zinc/22/34/98/347223498.db2.gz NFFHYVLFTNCTGN-UTUOFQBUSA-N 1 2 291.351 2.034 20 5 CEBDLO C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@@H](C)C(=O)N1C ZINC000602848405 347223502 /nfs/dbraw/zinc/22/35/02/347223502.db2.gz NFFHYVLFTNCTGN-UTUOFQBUSA-N 1 2 291.351 2.034 20 5 CEBDLO O=[N+]([O-])c1ncccc1NC1CCN(c2cccc[nH+]2)CC1 ZINC000603857694 347392354 /nfs/dbraw/zinc/39/23/54/347392354.db2.gz QBUXNCYOHMLCBS-UHFFFAOYSA-N 1 2 299.334 2.466 20 5 CEBDLO C[C@H]1C[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC[C@@H]1O ZINC000351825280 219217326 /nfs/dbraw/zinc/21/73/26/219217326.db2.gz WZOSCQUOUWUFFL-SDBXPKJASA-N 1 2 286.278 2.076 20 5 CEBDLO C[C@H]1C[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC[C@@H]1O ZINC000351825280 219217328 /nfs/dbraw/zinc/21/73/28/219217328.db2.gz WZOSCQUOUWUFFL-SDBXPKJASA-N 1 2 286.278 2.076 20 5 CEBDLO O=[N+]([O-])c1cccnc1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609132873 347626855 /nfs/dbraw/zinc/62/68/55/347626855.db2.gz NVRDHCKXXDAFLM-LLVKDONJSA-N 1 2 273.296 2.028 20 5 CEBDLO Cc1cc(N2CCC[C@H](n3cc[nH+]c3)C2)ncc1[N+](=O)[O-] ZINC000610430959 347681126 /nfs/dbraw/zinc/68/11/26/347681126.db2.gz YIQMZQAODMQBFK-LBPRGKRZSA-N 1 2 287.323 2.336 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H]2CCC[C@H]21 ZINC000610762451 347711828 /nfs/dbraw/zinc/71/18/28/347711828.db2.gz FIQCKJITGYBQAU-BXUZGUMPSA-N 1 2 289.335 2.326 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H]2CCC[C@H]21 ZINC000610762451 347711830 /nfs/dbraw/zinc/71/18/30/347711830.db2.gz FIQCKJITGYBQAU-BXUZGUMPSA-N 1 2 289.335 2.326 20 5 CEBDLO CN(C)c1cc[nH+]c(NC(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000612345224 347872371 /nfs/dbraw/zinc/87/23/71/347872371.db2.gz DKUKHRKDBTYNIT-UHFFFAOYSA-N 1 2 292.320 2.370 20 5 CEBDLO Cn1nccc1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000130312708 365943025 /nfs/dbraw/zinc/94/30/25/365943025.db2.gz XCDPCNFEVXZVCB-UHFFFAOYSA-N 1 2 286.335 2.493 20 5 CEBDLO Cn1nccc1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000130312708 365943026 /nfs/dbraw/zinc/94/30/26/365943026.db2.gz XCDPCNFEVXZVCB-UHFFFAOYSA-N 1 2 286.335 2.493 20 5 CEBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCCSCC3)nc2c1 ZINC000614261534 348170562 /nfs/dbraw/zinc/17/05/62/348170562.db2.gz LZMXYNAERCQQOH-UHFFFAOYSA-N 1 2 292.364 2.410 20 5 CEBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCCSCC3)nc2c1 ZINC000614261534 348170564 /nfs/dbraw/zinc/17/05/64/348170564.db2.gz LZMXYNAERCQQOH-UHFFFAOYSA-N 1 2 292.364 2.410 20 5 CEBDLO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1cn[nH]c1 ZINC000614575149 348217285 /nfs/dbraw/zinc/21/72/85/348217285.db2.gz PYLFDALSOIRVBK-MRVPVSSYSA-N 1 2 287.279 2.310 20 5 CEBDLO Cc1cc(N(C)Cc2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000271004897 190903714 /nfs/dbraw/zinc/90/37/14/190903714.db2.gz YZQWWAOFRZLNKP-UHFFFAOYSA-N 1 2 260.297 2.273 20 5 CEBDLO C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1C ZINC000339567413 215247041 /nfs/dbraw/zinc/24/70/41/215247041.db2.gz FOTUGBMVQRQRAL-BDAKNGLRSA-N 1 2 260.297 2.311 20 5 CEBDLO C[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1C ZINC000339567413 215247043 /nfs/dbraw/zinc/24/70/43/215247043.db2.gz FOTUGBMVQRQRAL-BDAKNGLRSA-N 1 2 260.297 2.311 20 5 CEBDLO Cc1c[nH+]ccc1NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412058057 233325172 /nfs/dbraw/zinc/32/51/72/233325172.db2.gz SXHHNCTWVBOCJP-UONOGXRCSA-N 1 2 297.314 2.462 20 5 CEBDLO COc1ccnc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000450677599 282716184 /nfs/dbraw/zinc/71/61/84/282716184.db2.gz RPAIGDNZRFSICN-JTQLQIEISA-N 1 2 288.307 2.244 20 5 CEBDLO CC(C)([NH2+]Cc1ncc[nH]1)c1ccccc1[N+](=O)[O-] ZINC000291654769 198051665 /nfs/dbraw/zinc/05/16/65/198051665.db2.gz DGOARNATNUAHBY-UHFFFAOYSA-N 1 2 260.297 2.343 20 5 CEBDLO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000450826168 282788746 /nfs/dbraw/zinc/78/87/46/282788746.db2.gz YXIDFDCXGNWTBB-WCBMZHEXSA-N 1 2 290.327 2.434 20 5 CEBDLO C[C@H](Cn1cc[nH+]c1)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000148494804 366583020 /nfs/dbraw/zinc/58/30/20/366583020.db2.gz GXBIWNKBRNPBSE-MRVPVSSYSA-N 1 2 281.703 2.340 20 5 CEBDLO C[N@H+](Cc1cccnc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339052066 366631606 /nfs/dbraw/zinc/63/16/06/366631606.db2.gz BMJPBVHUELIUBY-UHFFFAOYSA-N 1 2 273.292 2.327 20 5 CEBDLO C[N@@H+](Cc1cccnc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339052066 366631609 /nfs/dbraw/zinc/63/16/09/366631609.db2.gz BMJPBVHUELIUBY-UHFFFAOYSA-N 1 2 273.292 2.327 20 5 CEBDLO C[N@H+](CCc1ccccn1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339054655 366633134 /nfs/dbraw/zinc/63/31/34/366633134.db2.gz WIJUFQCGUWHERG-UHFFFAOYSA-N 1 2 287.319 2.370 20 5 CEBDLO C[N@@H+](CCc1ccccn1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339054655 366633140 /nfs/dbraw/zinc/63/31/40/366633140.db2.gz WIJUFQCGUWHERG-UHFFFAOYSA-N 1 2 287.319 2.370 20 5 CEBDLO C[C@]1(O)CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000339140384 366674172 /nfs/dbraw/zinc/67/41/72/366674172.db2.gz DGIDUEDFWWXKSB-AWEZNQCLSA-N 1 2 280.324 2.037 20 5 CEBDLO C[C@]1(O)CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000339140384 366674178 /nfs/dbraw/zinc/67/41/78/366674178.db2.gz DGIDUEDFWWXKSB-AWEZNQCLSA-N 1 2 280.324 2.037 20 5 CEBDLO C[C@]([NH2+]Cc1cccc([N+](=O)[O-])c1)(C(N)=O)c1ccccc1 ZINC000101548611 364560583 /nfs/dbraw/zinc/56/05/83/364560583.db2.gz LXLXDCAZRAIGFO-MRXNPFEDSA-N 1 2 299.330 2.085 20 5 CEBDLO CC[C@H]1COCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000115574359 365016320 /nfs/dbraw/zinc/01/63/20/365016320.db2.gz KIHILQLQLXCKKV-LBPRGKRZSA-N 1 2 250.298 2.206 20 5 CEBDLO CC[C@H]1COCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000115574359 365016323 /nfs/dbraw/zinc/01/63/23/365016323.db2.gz KIHILQLQLXCKKV-LBPRGKRZSA-N 1 2 250.298 2.206 20 5 CEBDLO O=[N+]([O-])c1ccccc1CNc1ccc(CO)c[nH+]1 ZINC000340571199 366938714 /nfs/dbraw/zinc/93/87/14/366938714.db2.gz CPDJZLBUAJLBGL-UHFFFAOYSA-N 1 2 259.265 2.094 20 5 CEBDLO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000330631790 203061718 /nfs/dbraw/zinc/06/17/18/203061718.db2.gz GNYSWTYGVFQFRH-NXEZZACHSA-N 1 2 293.323 2.112 20 5 CEBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCOC1CCC1)CCO2 ZINC000352622276 369811840 /nfs/dbraw/zinc/81/18/40/369811840.db2.gz ZMTYGZGXOVVGGP-UHFFFAOYSA-N 1 2 292.335 2.358 20 5 CEBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCOC1CCC1)CCO2 ZINC000352622276 369811842 /nfs/dbraw/zinc/81/18/42/369811842.db2.gz ZMTYGZGXOVVGGP-UHFFFAOYSA-N 1 2 292.335 2.358 20 5 CEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000331655827 204050549 /nfs/dbraw/zinc/05/05/49/204050549.db2.gz SGEMPPONPIEGLW-GFCCVEGCSA-N 1 2 287.323 2.060 20 5 CEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000331655827 204050551 /nfs/dbraw/zinc/05/05/51/204050551.db2.gz SGEMPPONPIEGLW-GFCCVEGCSA-N 1 2 287.323 2.060 20 5 CEBDLO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000361072276 371634475 /nfs/dbraw/zinc/63/44/75/371634475.db2.gz CPUKLWBJFSXBKF-JTQLQIEISA-N 1 2 290.327 2.184 20 5 CEBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000363049080 372621012 /nfs/dbraw/zinc/62/10/12/372621012.db2.gz FRZHQLUPUCPYOG-TZMCWYRMSA-N 1 2 292.335 2.227 20 5 CEBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000363049080 372621020 /nfs/dbraw/zinc/62/10/20/372621020.db2.gz FRZHQLUPUCPYOG-TZMCWYRMSA-N 1 2 292.335 2.227 20 5 CEBDLO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ncnn1C ZINC000276725791 374280569 /nfs/dbraw/zinc/28/05/69/374280569.db2.gz XWYQYUQKJTZQPO-VHSXEESVSA-N 1 2 275.312 2.135 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[S@@](=O)CC[C@@H]1C ZINC000373036016 374249434 /nfs/dbraw/zinc/24/94/34/374249434.db2.gz KPNWDIJTZOSGQR-YUNKPMOVSA-N 1 2 296.392 2.246 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[S@@](=O)CC[C@@H]1C ZINC000373036016 374249440 /nfs/dbraw/zinc/24/94/40/374249440.db2.gz KPNWDIJTZOSGQR-YUNKPMOVSA-N 1 2 296.392 2.246 20 5 CEBDLO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H]2c2ncon2)cc1 ZINC000377490309 374865003 /nfs/dbraw/zinc/86/50/03/374865003.db2.gz BWBINLJHYFDKHG-ZDUSSCGKSA-N 1 2 288.307 2.357 20 5 CEBDLO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H]2c2ncon2)cc1 ZINC000377490309 374865012 /nfs/dbraw/zinc/86/50/12/374865012.db2.gz BWBINLJHYFDKHG-ZDUSSCGKSA-N 1 2 288.307 2.357 20 5 CEBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]2c2nccs2)c1 ZINC000377932945 374982845 /nfs/dbraw/zinc/98/28/45/374982845.db2.gz RVVJPKCBRAJHMS-LLVKDONJSA-N 1 2 293.352 2.085 20 5 CEBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H]2c2nccs2)c1 ZINC000377932945 374982851 /nfs/dbraw/zinc/98/28/51/374982851.db2.gz RVVJPKCBRAJHMS-LLVKDONJSA-N 1 2 293.352 2.085 20 5 CEBDLO C[C@@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000280101243 375091871 /nfs/dbraw/zinc/09/18/71/375091871.db2.gz AMDMWVUBXHBTRC-MFKMUULPSA-N 1 2 298.364 2.036 20 5 CEBDLO C[C@@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000280101243 375091874 /nfs/dbraw/zinc/09/18/74/375091874.db2.gz AMDMWVUBXHBTRC-MFKMUULPSA-N 1 2 298.364 2.036 20 5 CEBDLO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CCOC1 ZINC000286510065 375977639 /nfs/dbraw/zinc/97/76/39/375977639.db2.gz RTGAFWXFSHPDSI-QMMMGPOBSA-N 1 2 272.251 2.094 20 5 CEBDLO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CCOC1 ZINC000286510065 375977645 /nfs/dbraw/zinc/97/76/45/375977645.db2.gz RTGAFWXFSHPDSI-QMMMGPOBSA-N 1 2 272.251 2.094 20 5 CEBDLO Cc1ccnc(NCc2cn3c([nH+]2)CCCC3)c1[N+](=O)[O-] ZINC000265278928 190171576 /nfs/dbraw/zinc/17/15/76/190171576.db2.gz WCEGKFFXSYZHDT-UHFFFAOYSA-N 1 2 287.323 2.443 20 5 CEBDLO O=[N+]([O-])c1cnc(N2CC[C@@H]([NH+]3CC=CC3)C2)c(Cl)c1 ZINC000266284585 190245892 /nfs/dbraw/zinc/24/58/92/190245892.db2.gz VEITXDCLTNCWCU-SNVBAGLBSA-N 1 2 294.742 2.094 20 5 CEBDLO O=[N+]([O-])c1cccc(Cl)c1CN1CCn2cc[nH+]c2C1 ZINC000493629351 381098576 /nfs/dbraw/zinc/09/85/76/381098576.db2.gz ATMURZHXVMJEGL-UHFFFAOYSA-N 1 2 292.726 2.461 20 5 CEBDLO O=[N+]([O-])c1ccc(N2CCCC[NH2+]2)c2ccncc21 ZINC000288841667 285122331 /nfs/dbraw/zinc/12/23/31/285122331.db2.gz CNNWDTJAMSGTGM-UHFFFAOYSA-N 1 2 258.281 2.248 20 5 CEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC[C@H](CO)C3)c2c1 ZINC000413022961 394464707 /nfs/dbraw/zinc/46/47/07/394464707.db2.gz HDRZGWJITVRMIJ-NSHDSACASA-N 1 2 287.319 2.352 20 5 CEBDLO CC[N@H+](Cc1cccs1)Cc1c([N+](=O)[O-])ncn1C ZINC000355657624 394491458 /nfs/dbraw/zinc/49/14/58/394491458.db2.gz KSOGEMHCTNRPQI-UHFFFAOYSA-N 1 2 280.353 2.412 20 5 CEBDLO CC[N@@H+](Cc1cccs1)Cc1c([N+](=O)[O-])ncn1C ZINC000355657624 394491460 /nfs/dbraw/zinc/49/14/60/394491460.db2.gz KSOGEMHCTNRPQI-UHFFFAOYSA-N 1 2 280.353 2.412 20 5 CEBDLO CC(C)(C[NH+]1CCOCC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000308664159 394529788 /nfs/dbraw/zinc/52/97/88/394529788.db2.gz NZOJMNNLHSFVCZ-UHFFFAOYSA-N 1 2 297.330 2.257 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCOC[C@@H]1C ZINC000273495086 394788297 /nfs/dbraw/zinc/78/82/97/394788297.db2.gz XOPIMPRLNYUHEZ-NSHDSACASA-N 1 2 250.298 2.124 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCOC[C@@H]1C ZINC000273495086 394788301 /nfs/dbraw/zinc/78/83/01/394788301.db2.gz XOPIMPRLNYUHEZ-NSHDSACASA-N 1 2 250.298 2.124 20 5 CEBDLO CO[C@@H]1C[C@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C1(C)C ZINC000344695914 395059090 /nfs/dbraw/zinc/05/90/90/395059090.db2.gz MZGASHCCLHKELN-QWHCGFSZSA-N 1 2 280.324 2.204 20 5 CEBDLO Cc1cc(NCc2[nH+]ccn2C)c(F)cc1[N+](=O)[O-] ZINC000292640889 395200676 /nfs/dbraw/zinc/20/06/76/395200676.db2.gz ORLMWLWLNAIRML-UHFFFAOYSA-N 1 2 264.260 2.388 20 5 CEBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCS1 ZINC000193873694 395417492 /nfs/dbraw/zinc/41/74/92/395417492.db2.gz JPSDQVDGTWYBQF-SECBINFHSA-N 1 2 297.336 2.440 20 5 CEBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCS1 ZINC000193873694 395417493 /nfs/dbraw/zinc/41/74/93/395417493.db2.gz JPSDQVDGTWYBQF-SECBINFHSA-N 1 2 297.336 2.440 20 5 CEBDLO [NH3+][C@H]1CCCC[C@@H]1CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000566193626 395505320 /nfs/dbraw/zinc/50/53/20/395505320.db2.gz NRDTZEUBXWPWEK-KOLCDFICSA-N 1 2 293.323 2.147 20 5 CEBDLO COc1ccc(C[N@@H+]2CCO[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000156156244 286307060 /nfs/dbraw/zinc/30/70/60/286307060.db2.gz YJOFBSVQPPSQIR-GHMZBOCLSA-N 1 2 280.324 2.213 20 5 CEBDLO COc1ccc(C[N@H+]2CCO[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000156156244 286307063 /nfs/dbraw/zinc/30/70/63/286307063.db2.gz YJOFBSVQPPSQIR-GHMZBOCLSA-N 1 2 280.324 2.213 20 5 CEBDLO COC[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@@H](C)O1 ZINC000189463908 153093880 /nfs/dbraw/zinc/09/38/80/153093880.db2.gz RFASNLMNJOOPIM-RISCZKNCSA-N 1 2 294.351 2.139 20 5 CEBDLO COC[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@@H](C)O1 ZINC000189463908 153093883 /nfs/dbraw/zinc/09/38/83/153093883.db2.gz RFASNLMNJOOPIM-RISCZKNCSA-N 1 2 294.351 2.139 20 5 CEBDLO C[C@@H]1CCN(c2ncc([N+](=O)[O-])s2)C[C@@H]1n1cc[nH+]c1 ZINC000192488171 153206023 /nfs/dbraw/zinc/20/60/23/153206023.db2.gz SDYUVIKYPSVPCD-ZJUUUORDSA-N 1 2 293.352 2.335 20 5 CEBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCc2n[nH]cc2C1 ZINC000271609154 287152448 /nfs/dbraw/zinc/15/24/48/287152448.db2.gz VAEOTKDQWFLQRC-JTQLQIEISA-N 1 2 272.308 2.437 20 5 CEBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCc2n[nH]cc2C1 ZINC000271609154 287152454 /nfs/dbraw/zinc/15/24/54/287152454.db2.gz VAEOTKDQWFLQRC-JTQLQIEISA-N 1 2 272.308 2.437 20 5 CEBDLO C[C@@H]([NH2+]Cc1cc(C(N)=O)co1)c1ccc([N+](=O)[O-])cc1 ZINC000187577742 270254862 /nfs/dbraw/zinc/25/48/62/270254862.db2.gz HSECPEXLEJAABO-SECBINFHSA-N 1 2 289.291 2.138 20 5 CEBDLO C[C@H]1CC[C@@H](C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)O1 ZINC000352704770 278377839 /nfs/dbraw/zinc/37/78/39/278377839.db2.gz GZGMQMOKJOXANW-FZMZJTMJSA-N 1 2 292.335 2.357 20 5 CEBDLO C[C@H]1CC[C@@H](C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)O1 ZINC000352704770 278377840 /nfs/dbraw/zinc/37/78/40/278377840.db2.gz GZGMQMOKJOXANW-FZMZJTMJSA-N 1 2 292.335 2.357 20 5 CEBDLO C[C@@H]1OCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@H]1C ZINC000282653595 279041597 /nfs/dbraw/zinc/04/15/97/279041597.db2.gz CNUKSZMWNWQPRN-UWVGGRQHSA-N 1 2 268.288 2.343 20 5 CEBDLO C[C@@H]1OCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@H]1C ZINC000282653595 279041599 /nfs/dbraw/zinc/04/15/99/279041599.db2.gz CNUKSZMWNWQPRN-UWVGGRQHSA-N 1 2 268.288 2.343 20 5 CEBDLO Cc1nc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000266163138 279165432 /nfs/dbraw/zinc/16/54/32/279165432.db2.gz XAPHWNVGWGZKGB-UHFFFAOYSA-N 1 2 299.334 2.020 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)cc1F ZINC000094774705 280363952 /nfs/dbraw/zinc/36/39/52/280363952.db2.gz IGKWWGMSDSYQTM-KBPBESRZSA-N 1 2 280.299 2.487 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)cc1F ZINC000094774705 280363954 /nfs/dbraw/zinc/36/39/54/280363954.db2.gz IGKWWGMSDSYQTM-KBPBESRZSA-N 1 2 280.299 2.487 20 5 CEBDLO Cc1cn2c([nH+]1)CN(c1ccc([N+](=O)[O-])cc1)CC2 ZINC000374720270 281546220 /nfs/dbraw/zinc/54/62/20/281546220.db2.gz SDNRWHVQVZSSDM-UHFFFAOYSA-N 1 2 258.281 2.120 20 5 CEBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cscn3)nc2c1 ZINC000446832469 281785170 /nfs/dbraw/zinc/78/51/70/281785170.db2.gz PCDKGBDPURHAMM-UHFFFAOYSA-N 1 2 289.320 2.217 20 5 CEBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000456354503 289594750 /nfs/dbraw/zinc/59/47/50/289594750.db2.gz PTOPEKIIABDSJD-JTQLQIEISA-N 1 2 288.307 2.302 20 5 CEBDLO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)c2[nH+]ccn21 ZINC000456407560 289607492 /nfs/dbraw/zinc/60/74/92/289607492.db2.gz YSHZMRDRYZLTJV-SFYZADRCSA-N 1 2 292.320 2.289 20 5 CEBDLO COc1ccc(C[N@@H+]2C[C@H](C)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000051474738 295131918 /nfs/dbraw/zinc/13/19/18/295131918.db2.gz MCZAWCYZQVWXII-MNOVXSKESA-N 1 2 280.324 2.213 20 5 CEBDLO COc1ccc(C[N@H+]2C[C@H](C)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000051474738 295131922 /nfs/dbraw/zinc/13/19/22/295131922.db2.gz MCZAWCYZQVWXII-MNOVXSKESA-N 1 2 280.324 2.213 20 5 CEBDLO Cc1nnc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000180435230 312768030 /nfs/dbraw/zinc/76/80/30/312768030.db2.gz ASROYCQCRPRKNV-QMMMGPOBSA-N 1 2 262.269 2.137 20 5 CEBDLO O=[N+]([O-])c1cnn(C[N@@H+]2CC[C@H](c3ccccc3F)C2)c1 ZINC000730454178 574519884 /nfs/dbraw/zinc/51/98/84/574519884.db2.gz HKNKFOLDYOBLIA-NSHDSACASA-N 1 2 290.298 2.377 20 5 CEBDLO O=[N+]([O-])c1cnn(C[N@H+]2CC[C@H](c3ccccc3F)C2)c1 ZINC000730454178 574519886 /nfs/dbraw/zinc/51/98/86/574519886.db2.gz HKNKFOLDYOBLIA-NSHDSACASA-N 1 2 290.298 2.377 20 5 CEBDLO C[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000932334293 622586450 /nfs/dbraw/zinc/58/64/50/622586450.db2.gz FITPHTQUUSGXIU-SNVBAGLBSA-N 1 2 268.288 2.345 20 5 CEBDLO C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000932334293 622586453 /nfs/dbraw/zinc/58/64/53/622586453.db2.gz FITPHTQUUSGXIU-SNVBAGLBSA-N 1 2 268.288 2.345 20 5 CEBDLO O=[N+]([O-])CC[N@@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000798193262 630832948 /nfs/dbraw/zinc/83/29/48/630832948.db2.gz JAKLIBCARHLIRD-UHFFFAOYSA-N 1 2 297.786 2.124 20 5 CEBDLO O=[N+]([O-])CC[N@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000798193262 630832953 /nfs/dbraw/zinc/83/29/53/630832953.db2.gz JAKLIBCARHLIRD-UHFFFAOYSA-N 1 2 297.786 2.124 20 5 CEBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CN1CCSC1=O ZINC000800866046 631149760 /nfs/dbraw/zinc/14/97/60/631149760.db2.gz QKEZPTHNYCSVFV-UHFFFAOYSA-N 1 2 295.364 2.195 20 5 CEBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CN1CCSC1=O ZINC000800866046 631149763 /nfs/dbraw/zinc/14/97/63/631149763.db2.gz QKEZPTHNYCSVFV-UHFFFAOYSA-N 1 2 295.364 2.195 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802240966 631411634 /nfs/dbraw/zinc/41/16/34/631411634.db2.gz WPPYLYKFKKFVCI-GFCCVEGCSA-N 1 2 296.298 2.104 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802240966 631411640 /nfs/dbraw/zinc/41/16/40/631411640.db2.gz WPPYLYKFKKFVCI-GFCCVEGCSA-N 1 2 296.298 2.104 20 5 CEBDLO Cc1cc([N+](=O)[O-])cc(C(=O)OCCn2cc[nH+]c2)c1F ZINC000803458428 631568435 /nfs/dbraw/zinc/56/84/35/631568435.db2.gz GITBPBJAOHAQFL-UHFFFAOYSA-N 1 2 293.254 2.096 20 5 CEBDLO CC(C)c1ccc(C[NH2+]Cc2cnn(C)n2)cc1[N+](=O)[O-] ZINC000808418396 631960772 /nfs/dbraw/zinc/96/07/72/631960772.db2.gz QLSZEUKXPUEDMB-UHFFFAOYSA-N 1 2 289.339 2.137 20 5 CEBDLO Cc1cc(CNC(=O)CCC(C)(C)[N+](=O)[O-])cc(C)[nH+]1 ZINC000817459170 633672231 /nfs/dbraw/zinc/67/22/31/633672231.db2.gz RGPVNDQEVPJOKD-UHFFFAOYSA-N 1 2 279.340 2.150 20 5 CEBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)OCc1c[nH+]cn1C ZINC000817720881 633727316 /nfs/dbraw/zinc/72/73/16/633727316.db2.gz WERBOUWFQRKPDY-UHFFFAOYSA-N 1 2 289.291 2.302 20 5 CEBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@H](F)C2)c1 ZINC000902994827 634923284 /nfs/dbraw/zinc/92/32/84/634923284.db2.gz JCPXCTBHMCKDQE-AAEUAGOBSA-N 1 2 268.288 2.062 20 5 CEBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@H](F)C2)c1 ZINC000902994827 634923285 /nfs/dbraw/zinc/92/32/85/634923285.db2.gz JCPXCTBHMCKDQE-AAEUAGOBSA-N 1 2 268.288 2.062 20 5 CEBDLO CC[NH2+]Cc1noc(CCc2cc(F)ccc2[N+](=O)[O-])n1 ZINC000904495818 635645599 /nfs/dbraw/zinc/64/55/99/635645599.db2.gz XPEHAKGCMJUIOV-UHFFFAOYSA-N 1 2 294.286 2.012 20 5 CEBDLO C[C@@H](Cc1nc(CCC(C)(C)[N+](=O)[O-])no1)n1cc[nH+]c1 ZINC000844869236 640854591 /nfs/dbraw/zinc/85/45/91/640854591.db2.gz PUYHXTQNCDCEDZ-JTQLQIEISA-N 1 2 293.327 2.058 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCO[C@@H](CF)C1 ZINC000877586582 650801369 /nfs/dbraw/zinc/80/13/69/650801369.db2.gz KSKRRSNMALUQQG-LBPRGKRZSA-N 1 2 282.315 2.382 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCO[C@@H](CF)C1 ZINC000877586582 650801372 /nfs/dbraw/zinc/80/13/72/650801372.db2.gz KSKRRSNMALUQQG-LBPRGKRZSA-N 1 2 282.315 2.382 20 5 CEBDLO CC1=CC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC1 ZINC000755767885 644558404 /nfs/dbraw/zinc/55/84/04/644558404.db2.gz MRORHKGGALBKNP-UHFFFAOYSA-N 1 2 299.334 2.463 20 5 CEBDLO CC1=CC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC1 ZINC000755767885 644558407 /nfs/dbraw/zinc/55/84/07/644558407.db2.gz MRORHKGGALBKNP-UHFFFAOYSA-N 1 2 299.334 2.463 20 5 CEBDLO CCC[C@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000776594064 647076854 /nfs/dbraw/zinc/07/68/54/647076854.db2.gz SMCRHYDWQMCGOV-LSDHHAIUSA-N 1 2 294.351 2.129 20 5 CEBDLO CCC[C@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000776594064 647076860 /nfs/dbraw/zinc/07/68/60/647076860.db2.gz SMCRHYDWQMCGOV-LSDHHAIUSA-N 1 2 294.351 2.129 20 5 CEBDLO CC[C@@H]1CC[N@@H+]1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000793823878 648802018 /nfs/dbraw/zinc/80/20/18/648802018.db2.gz PVEWLPRVQSCFOI-GFCCVEGCSA-N 1 2 287.323 2.295 20 5 CEBDLO CC[C@@H]1CC[N@H+]1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000793823878 648802022 /nfs/dbraw/zinc/80/20/22/648802022.db2.gz PVEWLPRVQSCFOI-GFCCVEGCSA-N 1 2 287.323 2.295 20 5 CEBDLO C[C@H]([NH2+]Cc1ccnn1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872020356 649242898 /nfs/dbraw/zinc/24/28/98/649242898.db2.gz GMWGVODUSQPWPD-VIFPVBQESA-N 1 2 278.287 2.318 20 5 CEBDLO C[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872025037 649244639 /nfs/dbraw/zinc/24/46/39/649244639.db2.gz YJTPFXWNFVAMGV-MUWHJKNJSA-N 1 2 296.220 2.308 20 5 CEBDLO Cc1nonc1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000872137768 649289158 /nfs/dbraw/zinc/28/91/58/649289158.db2.gz WKTYRYYKCMKLLR-VIFPVBQESA-N 1 2 276.296 2.445 20 5 CEBDLO O=[N+]([O-])c1cnn(C[NH+]2CCC3(CCSCC3)CC2)c1 ZINC000872644312 649447495 /nfs/dbraw/zinc/44/74/95/649447495.db2.gz VBWLESPPYRDWRF-UHFFFAOYSA-N 1 2 296.396 2.358 20 5 CEBDLO O=[N+]([O-])c1c(F)nccc1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000881917145 651912801 /nfs/dbraw/zinc/91/28/01/651912801.db2.gz VHKRYNPELWXZLC-JTQLQIEISA-N 1 2 291.286 2.167 20 5 CEBDLO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000602102352 346974570 /nfs/dbraw/zinc/97/45/70/346974570.db2.gz HLCNVCXPNZRFRF-GHMZBOCLSA-N 1 2 298.302 2.011 20 5 CEBDLO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000602102352 346974574 /nfs/dbraw/zinc/97/45/74/346974574.db2.gz HLCNVCXPNZRFRF-GHMZBOCLSA-N 1 2 298.302 2.011 20 5 CEBDLO Cn1cc(C[N@H+](C)Cc2cccs2)c([N+](=O)[O-])n1 ZINC000602433234 347030405 /nfs/dbraw/zinc/03/04/05/347030405.db2.gz MGCPVTZRVFXDMS-UHFFFAOYSA-N 1 2 266.326 2.022 20 5 CEBDLO Cn1cc(C[N@@H+](C)Cc2cccs2)c([N+](=O)[O-])n1 ZINC000602433234 347030406 /nfs/dbraw/zinc/03/04/06/347030406.db2.gz MGCPVTZRVFXDMS-UHFFFAOYSA-N 1 2 266.326 2.022 20 5 CEBDLO CCC1(CO)CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000093591424 344227487 /nfs/dbraw/zinc/22/74/87/344227487.db2.gz ZEVANGZIUZOZBJ-UHFFFAOYSA-N 1 2 294.351 2.285 20 5 CEBDLO C[N@H+](CCOCC1CC1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093818452 344230086 /nfs/dbraw/zinc/23/00/86/344230086.db2.gz GWNHUIYZFSBBSH-UHFFFAOYSA-N 1 2 280.324 2.159 20 5 CEBDLO C[N@@H+](CCOCC1CC1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093818452 344230089 /nfs/dbraw/zinc/23/00/89/344230089.db2.gz GWNHUIYZFSBBSH-UHFFFAOYSA-N 1 2 280.324 2.159 20 5 CEBDLO Cc1cc(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc[nH+]1 ZINC000568005744 299107705 /nfs/dbraw/zinc/10/77/05/299107705.db2.gz FFURWOFJHNFUOF-NSHDSACASA-N 1 2 285.303 2.462 20 5 CEBDLO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCCn2ccnc21 ZINC000594503514 345639594 /nfs/dbraw/zinc/63/95/94/345639594.db2.gz WLPSRKHEUGJBIM-LBPRGKRZSA-N 1 2 272.308 2.416 20 5 CEBDLO Cc1c[nH]c(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000594936024 345708869 /nfs/dbraw/zinc/70/88/69/345708869.db2.gz SCXDPAXVUCLLBZ-JTQLQIEISA-N 1 2 260.297 2.477 20 5 CEBDLO Cc1noc(C[N@H+](C)CCC(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000595344274 345766004 /nfs/dbraw/zinc/76/60/04/345766004.db2.gz KXLFCLLAFUOMAY-UHFFFAOYSA-N 1 2 299.327 2.055 20 5 CEBDLO Cc1noc(C[N@@H+](C)CCC(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000595344274 345766006 /nfs/dbraw/zinc/76/60/06/345766006.db2.gz KXLFCLLAFUOMAY-UHFFFAOYSA-N 1 2 299.327 2.055 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+](C1CC1)C1(CO)CCC1 ZINC000595533529 345804709 /nfs/dbraw/zinc/80/47/09/345804709.db2.gz KYSPHNPKUCGCOI-UHFFFAOYSA-N 1 2 292.335 2.180 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+](C1CC1)C1(CO)CCC1 ZINC000595533529 345804711 /nfs/dbraw/zinc/80/47/11/345804711.db2.gz KYSPHNPKUCGCOI-UHFFFAOYSA-N 1 2 292.335 2.180 20 5 CEBDLO C[C@H](CO)[C@H]1CCCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000595674587 345845027 /nfs/dbraw/zinc/84/50/27/345845027.db2.gz LUKAVKWFWKPAAY-BXUZGUMPSA-N 1 2 294.351 2.283 20 5 CEBDLO C[C@H](CO)[C@H]1CCCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000595674587 345845029 /nfs/dbraw/zinc/84/50/29/345845029.db2.gz LUKAVKWFWKPAAY-BXUZGUMPSA-N 1 2 294.351 2.283 20 5 CEBDLO O=[N+]([O-])c1c(NCC2(O)CCC2)ccc2c[nH+]ccc21 ZINC000599042946 346451101 /nfs/dbraw/zinc/45/11/01/346451101.db2.gz PBPZFENVERBKBP-UHFFFAOYSA-N 1 2 273.292 2.470 20 5 CEBDLO C[C@H](Nc1ncc(F)cc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000601199475 346785381 /nfs/dbraw/zinc/78/53/81/346785381.db2.gz VOUKXOWGTVHKGQ-ZETCQYMHSA-N 1 2 265.248 2.036 20 5 CEBDLO COc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)on1 ZINC000602713651 347166662 /nfs/dbraw/zinc/16/66/62/347166662.db2.gz OGNKSIIDPBDSSK-UHFFFAOYSA-N 1 2 281.243 2.020 20 5 CEBDLO C[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000602845829 347222843 /nfs/dbraw/zinc/22/28/43/347222843.db2.gz CFOYAYMMXIOOLX-IJLUTSLNSA-N 1 2 291.351 2.034 20 5 CEBDLO C[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000602845829 347222845 /nfs/dbraw/zinc/22/28/45/347222845.db2.gz CFOYAYMMXIOOLX-IJLUTSLNSA-N 1 2 291.351 2.034 20 5 CEBDLO Cn1cc(C[NH2+][C@H](CF)c2ccc(F)cc2)c([N+](=O)[O-])n1 ZINC000603014584 347272995 /nfs/dbraw/zinc/27/29/95/347272995.db2.gz ARMXMOCBKBSCFS-GFCCVEGCSA-N 1 2 296.277 2.268 20 5 CEBDLO O=[N+]([O-])c1ccn(C2CCN(c3cc[nH+]cc3F)CC2)n1 ZINC000603367182 347350710 /nfs/dbraw/zinc/35/07/10/347350710.db2.gz SNVMNSLVRLZORD-UHFFFAOYSA-N 1 2 291.286 2.167 20 5 CEBDLO CN(C)c1ccc(CNc2cccnc2[N+](=O)[O-])c[nH+]1 ZINC000603850038 347391825 /nfs/dbraw/zinc/39/18/25/347391825.db2.gz YCLHXPJHIJPKJQ-UHFFFAOYSA-N 1 2 273.296 2.063 20 5 CEBDLO O=C(C[N@@H+]1C[C@@H]2CCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000610585472 347694376 /nfs/dbraw/zinc/69/43/76/347694376.db2.gz PNTSSCONHJKPIG-JQWIXIFHSA-N 1 2 275.308 2.018 20 5 CEBDLO O=C(C[N@H+]1C[C@@H]2CCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000610585472 347694377 /nfs/dbraw/zinc/69/43/77/347694377.db2.gz PNTSSCONHJKPIG-JQWIXIFHSA-N 1 2 275.308 2.018 20 5 CEBDLO O=C(Nc1ccc2[nH+]ccn2c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000611556589 347794041 /nfs/dbraw/zinc/79/40/41/347794041.db2.gz OWNUBNYZJDYGAE-UHFFFAOYSA-N 1 2 298.258 2.200 20 5 CEBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC=CCC3)n2)cc1 ZINC000611517516 347789163 /nfs/dbraw/zinc/78/91/63/347789163.db2.gz KFVJZXCUCOXMRC-UHFFFAOYSA-N 1 2 286.291 2.407 20 5 CEBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC=CCC3)n2)cc1 ZINC000611517516 347789165 /nfs/dbraw/zinc/78/91/65/347789165.db2.gz KFVJZXCUCOXMRC-UHFFFAOYSA-N 1 2 286.291 2.407 20 5 CEBDLO O=[N+]([O-])c1cnc2ccccc2c1NCCn1cc[nH+]c1 ZINC000130367789 365947765 /nfs/dbraw/zinc/94/77/65/365947765.db2.gz OYXNTFRMROEEKX-UHFFFAOYSA-N 1 2 283.291 2.452 20 5 CEBDLO Cc1cc[nH+]cc1N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000619589526 349202903 /nfs/dbraw/zinc/20/29/03/349202903.db2.gz OYPCHRHWZIYYOZ-UHFFFAOYSA-N 1 2 299.334 2.020 20 5 CEBDLO Cc1cc(C(=O)Nc2cc[nH+]cc2O)ccc1[N+](=O)[O-] ZINC000109889290 186277393 /nfs/dbraw/zinc/27/73/93/186277393.db2.gz NUBXTQDWUOJWAB-UHFFFAOYSA-N 1 2 273.248 2.256 20 5 CEBDLO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1nccn1C ZINC000070445393 363082780 /nfs/dbraw/zinc/08/27/80/363082780.db2.gz ZLMCTSKWHYPQNJ-SNVBAGLBSA-N 1 2 260.297 2.179 20 5 CEBDLO C[C@H]1OCC[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000156160847 188245935 /nfs/dbraw/zinc/24/59/35/188245935.db2.gz UJRMNEKQWVXXIE-NWDGAFQWSA-N 1 2 280.324 2.083 20 5 CEBDLO C[C@H]1OCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000156160847 188245936 /nfs/dbraw/zinc/24/59/36/188245936.db2.gz UJRMNEKQWVXXIE-NWDGAFQWSA-N 1 2 280.324 2.083 20 5 CEBDLO Cn1cnnc1[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000156609999 188271715 /nfs/dbraw/zinc/27/17/15/188271715.db2.gz KVUPUFDCBWQARC-CYBMUJFWSA-N 1 2 287.323 2.060 20 5 CEBDLO Cn1cnnc1[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000156609999 188271717 /nfs/dbraw/zinc/27/17/17/188271717.db2.gz KVUPUFDCBWQARC-CYBMUJFWSA-N 1 2 287.323 2.060 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1N(C)Cc1[nH+]ccn1C ZINC000156894074 188287076 /nfs/dbraw/zinc/28/70/76/188287076.db2.gz DFWMNBVHRUNZED-UHFFFAOYSA-N 1 2 260.297 2.273 20 5 CEBDLO Cc1nnc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1C ZINC000132749052 366168880 /nfs/dbraw/zinc/16/88/80/366168880.db2.gz IPLWSGGNHOHZMS-SNVBAGLBSA-N 1 2 289.339 2.191 20 5 CEBDLO O=[N+]([O-])c1ccn(CC[N@H+](CC(F)F)CC2CCC2)n1 ZINC000341750778 216090801 /nfs/dbraw/zinc/09/08/01/216090801.db2.gz NNNOHPWYRUSFON-UHFFFAOYSA-N 1 2 288.298 2.159 20 5 CEBDLO O=[N+]([O-])c1ccn(CC[N@@H+](CC(F)F)CC2CCC2)n1 ZINC000341750778 216090805 /nfs/dbraw/zinc/09/08/05/216090805.db2.gz NNNOHPWYRUSFON-UHFFFAOYSA-N 1 2 288.298 2.159 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1NCC(C)(C)[NH+]1CCOCC1 ZINC000301183876 200932795 /nfs/dbraw/zinc/93/27/95/200932795.db2.gz OGYGOVLKSYDAAN-UHFFFAOYSA-N 1 2 293.367 2.426 20 5 CEBDLO CC(C)n1ncnc1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000088591261 363909905 /nfs/dbraw/zinc/90/99/05/363909905.db2.gz JWKJGSSFUSLEPM-UHFFFAOYSA-N 1 2 275.312 2.057 20 5 CEBDLO COc1ccc(C[N@@H+]2CCOC[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000090007302 364032151 /nfs/dbraw/zinc/03/21/51/364032151.db2.gz KVZYDDZFSOMREC-CQSZACIVSA-N 1 2 292.335 2.214 20 5 CEBDLO COc1ccc(C[N@H+]2CCOC[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000090007302 364032156 /nfs/dbraw/zinc/03/21/56/364032156.db2.gz KVZYDDZFSOMREC-CQSZACIVSA-N 1 2 292.335 2.214 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC[C@@H]2C2CC2)cc1 ZINC000090007777 364032326 /nfs/dbraw/zinc/03/23/26/364032326.db2.gz LRAQVQFZSRQUKU-CQSZACIVSA-N 1 2 262.309 2.206 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCOC[C@@H]2C2CC2)cc1 ZINC000090007777 364032332 /nfs/dbraw/zinc/03/23/32/364032332.db2.gz LRAQVQFZSRQUKU-CQSZACIVSA-N 1 2 262.309 2.206 20 5 CEBDLO C[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1ncn(C)n1 ZINC000275389589 193018902 /nfs/dbraw/zinc/01/89/02/193018902.db2.gz AODPJDCVZMITDK-OKPNEXGHSA-N 1 2 287.323 2.087 20 5 CEBDLO C[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1ncn(C)n1 ZINC000275389593 193017839 /nfs/dbraw/zinc/01/78/39/193017839.db2.gz AODPJDCVZMITDK-ZRQQLDRUSA-N 1 2 287.323 2.087 20 5 CEBDLO C[C@@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1O)n1cc[nH+]c1 ZINC000582379074 366903315 /nfs/dbraw/zinc/90/33/15/366903315.db2.gz CJSXFULPULNYAZ-VIFPVBQESA-N 1 2 290.279 2.087 20 5 CEBDLO CCc1nnc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)[nH]1 ZINC000160509138 367012627 /nfs/dbraw/zinc/01/26/27/367012627.db2.gz VQDPDEGPCMBAAB-SNVBAGLBSA-N 1 2 289.339 2.435 20 5 CEBDLO Cc1nc(N[C@H](C)c2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC000341002753 367124828 /nfs/dbraw/zinc/12/48/28/367124828.db2.gz OOVLZHMRDFMYEY-SECBINFHSA-N 1 2 258.281 2.288 20 5 CEBDLO Cc1c[nH+]c(CN[C@@H](C)c2ccccc2[N+](=O)[O-])n1C ZINC000341281621 367265758 /nfs/dbraw/zinc/26/57/58/367265758.db2.gz LLPXMCMTLBTYMN-NSHDSACASA-N 1 2 274.324 2.488 20 5 CEBDLO Cc1cnc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])n1C ZINC000341281621 367265761 /nfs/dbraw/zinc/26/57/61/367265761.db2.gz LLPXMCMTLBTYMN-NSHDSACASA-N 1 2 274.324 2.488 20 5 CEBDLO Cc1cc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)cc[nH+]1 ZINC000342942362 367607102 /nfs/dbraw/zinc/60/71/02/367607102.db2.gz YWSURBJMWZKSGL-UHFFFAOYSA-N 1 2 296.286 2.454 20 5 CEBDLO CO[C@@H]1[C@H](C)[C@@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C1(C)C ZINC000345706174 368380773 /nfs/dbraw/zinc/38/07/73/368380773.db2.gz LLAXXYOHMLGODO-OWYVNGRQSA-N 1 2 294.351 2.450 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1NCC[N@H+]1CCOC[C@@H]1C ZINC000352644623 369818662 /nfs/dbraw/zinc/81/86/62/369818662.db2.gz KCWDLHSHDWNGGU-LBPRGKRZSA-N 1 2 279.340 2.036 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1NCC[N@@H+]1CCOC[C@@H]1C ZINC000352644623 369818666 /nfs/dbraw/zinc/81/86/66/369818666.db2.gz KCWDLHSHDWNGGU-LBPRGKRZSA-N 1 2 279.340 2.036 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCN(C)[C@H](C)[C@@H]1C ZINC000361152108 371683545 /nfs/dbraw/zinc/68/35/45/371683545.db2.gz HZXDHLUXZXOPDG-OLZOCXBDSA-N 1 2 277.368 2.428 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCN(C)[C@H](C)[C@@H]1C ZINC000361152108 371683547 /nfs/dbraw/zinc/68/35/47/371683547.db2.gz HZXDHLUXZXOPDG-OLZOCXBDSA-N 1 2 277.368 2.428 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[NH+]1C[C@@H](C)S(=O)[C@H](C)C1 ZINC000361659479 372009755 /nfs/dbraw/zinc/00/97/55/372009755.db2.gz HVTGKONHDMHWRR-VXGBXAGGSA-N 1 2 296.392 2.245 20 5 CEBDLO Cc1nc(NC[C@H](C)Cn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000268455191 372108205 /nfs/dbraw/zinc/10/82/05/372108205.db2.gz GOQQFYOBFQFBDP-JTQLQIEISA-N 1 2 275.312 2.243 20 5 CEBDLO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000269853534 372579788 /nfs/dbraw/zinc/57/97/88/372579788.db2.gz GKDGUSFCNWOION-GFCCVEGCSA-N 1 2 299.334 2.384 20 5 CEBDLO C[N@H+](CC=Cc1ccccc1[N+](=O)[O-])Cc1cc[nH]n1 ZINC000353534135 220142055 /nfs/dbraw/zinc/14/20/55/220142055.db2.gz SSQFYYGUYXKJQG-GQCTYLIASA-N 1 2 272.308 2.463 20 5 CEBDLO C[N@@H+](CC=Cc1ccccc1[N+](=O)[O-])Cc1cc[nH]n1 ZINC000353534135 220142057 /nfs/dbraw/zinc/14/20/57/220142057.db2.gz SSQFYYGUYXKJQG-GQCTYLIASA-N 1 2 272.308 2.463 20 5 CEBDLO CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000274971061 374109594 /nfs/dbraw/zinc/10/95/94/374109594.db2.gz IBNPULGTHZJNGW-SECBINFHSA-N 1 2 295.339 2.406 20 5 CEBDLO O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000374467833 374578747 /nfs/dbraw/zinc/57/87/47/374578747.db2.gz CLTSLZCDXAZAHK-LBPRGKRZSA-N 1 2 286.291 2.295 20 5 CEBDLO Cc1[nH]ncc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282832334 375588734 /nfs/dbraw/zinc/58/87/34/375588734.db2.gz BTYMZBPXQUAUIX-UHFFFAOYSA-N 1 2 274.324 2.301 20 5 CEBDLO Cc1[nH]ncc1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282832334 375588738 /nfs/dbraw/zinc/58/87/38/375588738.db2.gz BTYMZBPXQUAUIX-UHFFFAOYSA-N 1 2 274.324 2.301 20 5 CEBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@H](O)CC2)c(F)c1 ZINC000293226652 377482502 /nfs/dbraw/zinc/48/25/02/377482502.db2.gz RYLLNCJRIISYFC-JTQLQIEISA-N 1 2 286.278 2.220 20 5 CEBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@H](O)CC2)c(F)c1 ZINC000293226652 377482505 /nfs/dbraw/zinc/48/25/05/377482505.db2.gz RYLLNCJRIISYFC-JTQLQIEISA-N 1 2 286.278 2.220 20 5 CEBDLO CCn1nc(C)c([N+](=O)[O-])c1NCCCCn1cc[nH+]c1 ZINC000091554089 249309817 /nfs/dbraw/zinc/30/98/17/249309817.db2.gz VSXGKJWSJMFXEP-UHFFFAOYSA-N 1 2 292.343 2.208 20 5 CEBDLO C[C@@H]1C[N@@H+](CCSc2ccc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000565241921 377620575 /nfs/dbraw/zinc/62/05/75/377620575.db2.gz YSBKYQUBYOFNRG-PHIMTYICSA-N 1 2 297.380 2.191 20 5 CEBDLO C[C@@H]1C[N@H+](CCSc2ccc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000565241921 377620580 /nfs/dbraw/zinc/62/05/80/377620580.db2.gz YSBKYQUBYOFNRG-PHIMTYICSA-N 1 2 297.380 2.191 20 5 CEBDLO C[C@H](NC(=O)CCc1c[nH+]c[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000295229217 378060626 /nfs/dbraw/zinc/06/06/26/378060626.db2.gz BLDMKSHABDLAIO-JTQLQIEISA-N 1 2 288.307 2.128 20 5 CEBDLO C[C@H](NC(=O)CCc1c[nH]c[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC000295229217 378060634 /nfs/dbraw/zinc/06/06/34/378060634.db2.gz BLDMKSHABDLAIO-JTQLQIEISA-N 1 2 288.307 2.128 20 5 CEBDLO COc1nccnc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000295970597 378375220 /nfs/dbraw/zinc/37/52/20/378375220.db2.gz IOVLTTQKRBSAAQ-JTQLQIEISA-N 1 2 288.307 2.244 20 5 CEBDLO CCn1cc[nH+]c1CNc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000450686051 378532098 /nfs/dbraw/zinc/53/20/98/378532098.db2.gz UFELSZLZPBPLOM-UHFFFAOYSA-N 1 2 275.312 2.435 20 5 CEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@](C)(F)C1 ZINC000347346813 218198892 /nfs/dbraw/zinc/19/88/92/218198892.db2.gz IYNAHZOTGQUYOW-YGRLFVJLSA-N 1 2 295.314 2.356 20 5 CEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@](C)(F)C1 ZINC000347346813 218198895 /nfs/dbraw/zinc/19/88/95/218198895.db2.gz IYNAHZOTGQUYOW-YGRLFVJLSA-N 1 2 295.314 2.356 20 5 CEBDLO CC[N@H+](CCOC)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505912018 379091857 /nfs/dbraw/zinc/09/18/57/379091857.db2.gz IKNJOMBIRSNWCL-UHFFFAOYSA-N 1 2 256.277 2.202 20 5 CEBDLO CC[N@@H+](CCOC)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505912018 379091868 /nfs/dbraw/zinc/09/18/68/379091868.db2.gz IKNJOMBIRSNWCL-UHFFFAOYSA-N 1 2 256.277 2.202 20 5 CEBDLO Cc1ccc(NCc2ccc(N)[nH+]c2)c([N+](=O)[O-])c1 ZINC000302777448 379450118 /nfs/dbraw/zinc/45/01/18/379450118.db2.gz PMCUMXGDSUMFTK-UHFFFAOYSA-N 1 2 258.281 2.493 20 5 CEBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000456354505 379403347 /nfs/dbraw/zinc/40/33/47/379403347.db2.gz PTOPEKIIABDSJD-SNVBAGLBSA-N 1 2 288.307 2.302 20 5 CEBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000456401115 379427781 /nfs/dbraw/zinc/42/77/81/379427781.db2.gz VIFAPLKUMNSQLP-JTQLQIEISA-N 1 2 288.307 2.302 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)c(F)c1 ZINC000267043552 190299589 /nfs/dbraw/zinc/29/95/89/190299589.db2.gz PIABXZOULNBVMY-KBPBESRZSA-N 1 2 280.299 2.487 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)c(F)c1 ZINC000267043552 190299590 /nfs/dbraw/zinc/29/95/90/190299590.db2.gz PIABXZOULNBVMY-KBPBESRZSA-N 1 2 280.299 2.487 20 5 CEBDLO CC[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1nccs1 ZINC000347912084 218395774 /nfs/dbraw/zinc/39/57/74/218395774.db2.gz DDRBGRQZWOZBMH-QMMMGPOBSA-N 1 2 281.341 2.026 20 5 CEBDLO Cc1nnc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)o1 ZINC000541686409 380277685 /nfs/dbraw/zinc/27/76/85/380277685.db2.gz DGPDFRPYMRRREC-QMMMGPOBSA-N 1 2 262.269 2.137 20 5 CEBDLO C[C@@H]1C[C@H](C)[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000548424275 380514752 /nfs/dbraw/zinc/51/47/52/380514752.db2.gz FRVKRMCKNNWSCV-AOOOYVTPSA-N 1 2 263.297 2.016 20 5 CEBDLO C[C@@H]1C[C@H](C)[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000548424275 380514757 /nfs/dbraw/zinc/51/47/57/380514757.db2.gz FRVKRMCKNNWSCV-AOOOYVTPSA-N 1 2 263.297 2.016 20 5 CEBDLO C[C@@H]([NH2+]Cc1ncnn1CCF)c1ccccc1[N+](=O)[O-] ZINC000281750839 195364705 /nfs/dbraw/zinc/36/47/05/195364705.db2.gz XXFCABOBOFKYCY-SNVBAGLBSA-N 1 2 293.302 2.007 20 5 CEBDLO CCN1CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000190182843 130069696 /nfs/dbraw/zinc/06/96/96/130069696.db2.gz NXIUSYADYPUKEQ-LBPRGKRZSA-N 1 2 291.351 2.210 20 5 CEBDLO CCN1CCC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000190182843 130069698 /nfs/dbraw/zinc/06/96/98/130069698.db2.gz NXIUSYADYPUKEQ-LBPRGKRZSA-N 1 2 291.351 2.210 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000273415323 394788086 /nfs/dbraw/zinc/78/80/86/394788086.db2.gz IMOGJFYHSKVRMO-HTGLOVNISA-N 1 2 296.392 2.245 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000273415323 394788091 /nfs/dbraw/zinc/78/80/91/394788091.db2.gz IMOGJFYHSKVRMO-HTGLOVNISA-N 1 2 296.392 2.245 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCOC[C@H]1C ZINC000273495085 394788645 /nfs/dbraw/zinc/78/86/45/394788645.db2.gz XOPIMPRLNYUHEZ-LLVKDONJSA-N 1 2 250.298 2.124 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCOC[C@H]1C ZINC000273495085 394788647 /nfs/dbraw/zinc/78/86/47/394788647.db2.gz XOPIMPRLNYUHEZ-LLVKDONJSA-N 1 2 250.298 2.124 20 5 CEBDLO COC[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000275874020 394810002 /nfs/dbraw/zinc/81/00/02/394810002.db2.gz PAHUIBIWRVBMND-AVGNSLFASA-N 1 2 294.351 2.392 20 5 CEBDLO COC[C@@H]1C[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000275874020 394810006 /nfs/dbraw/zinc/81/00/06/394810006.db2.gz PAHUIBIWRVBMND-AVGNSLFASA-N 1 2 294.351 2.392 20 5 CEBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1C ZINC000293286770 395226066 /nfs/dbraw/zinc/22/60/66/395226066.db2.gz CXNQHPYWBTWNAM-BDAKNGLRSA-N 1 2 265.269 2.343 20 5 CEBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1C ZINC000293286770 395226073 /nfs/dbraw/zinc/22/60/73/395226073.db2.gz CXNQHPYWBTWNAM-BDAKNGLRSA-N 1 2 265.269 2.343 20 5 CEBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H]2c2ccccc2F)n1 ZINC000363596635 156033356 /nfs/dbraw/zinc/03/33/56/156033356.db2.gz FTPHMBVRRNOJHW-CYBMUJFWSA-N 1 2 290.298 2.377 20 5 CEBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H]2c2ccccc2F)n1 ZINC000363596635 156033358 /nfs/dbraw/zinc/03/33/58/156033358.db2.gz FTPHMBVRRNOJHW-CYBMUJFWSA-N 1 2 290.298 2.377 20 5 CEBDLO Cc1nn(Cc2[nH+]ccn2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000354954929 227261329 /nfs/dbraw/zinc/26/13/29/227261329.db2.gz VMYGWNPGNRLXFI-UHFFFAOYSA-N 1 2 297.318 2.393 20 5 CEBDLO C[C@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC2(CCC2)O1 ZINC000517738569 260000851 /nfs/dbraw/zinc/00/08/51/260000851.db2.gz VYXADICKAMIOKS-NSHDSACASA-N 1 2 292.335 2.444 20 5 CEBDLO C[C@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC2(CCC2)O1 ZINC000517738569 260000852 /nfs/dbraw/zinc/00/08/52/260000852.db2.gz VYXADICKAMIOKS-NSHDSACASA-N 1 2 292.335 2.444 20 5 CEBDLO O=[N+]([O-])c1cn(Cc2cn3ccccc3[nH+]2)nc1C1CC1 ZINC000185160818 270245248 /nfs/dbraw/zinc/24/52/48/270245248.db2.gz IDRAJXGGFKOKGS-UHFFFAOYSA-N 1 2 283.291 2.365 20 5 CEBDLO Cn1cnc([N+](=O)[O-])c1C[NH2+]C(C)(C)c1ccccc1F ZINC000429268791 271318730 /nfs/dbraw/zinc/31/87/30/271318730.db2.gz DENZNNAQHOMGLO-UHFFFAOYSA-N 1 2 292.314 2.492 20 5 CEBDLO CC(C)(C)[N@H+](CC(N)=O)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000131247612 277148893 /nfs/dbraw/zinc/14/88/93/277148893.db2.gz GHMMKNSYKZJJDE-UHFFFAOYSA-N 1 2 299.758 2.334 20 5 CEBDLO CC(C)(C)[N@@H+](CC(N)=O)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000131247612 277148894 /nfs/dbraw/zinc/14/88/94/277148894.db2.gz GHMMKNSYKZJJDE-UHFFFAOYSA-N 1 2 299.758 2.334 20 5 CEBDLO COc1cc(C[N@H+]2CCC[C@H](OC)C2)c([N+](=O)[O-])cc1F ZINC000184198658 277376871 /nfs/dbraw/zinc/37/68/71/277376871.db2.gz YGYJURPJYFRVAQ-NSHDSACASA-N 1 2 298.314 2.353 20 5 CEBDLO COc1cc(C[N@@H+]2CCC[C@H](OC)C2)c([N+](=O)[O-])cc1F ZINC000184198658 277376872 /nfs/dbraw/zinc/37/68/72/277376872.db2.gz YGYJURPJYFRVAQ-NSHDSACASA-N 1 2 298.314 2.353 20 5 CEBDLO CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(=O)OC ZINC000271180654 279046669 /nfs/dbraw/zinc/04/66/69/279046669.db2.gz YRFDLYLMOJVFMS-SOFGYWHQSA-N 1 2 278.308 2.103 20 5 CEBDLO CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(=O)OC ZINC000271180654 279046670 /nfs/dbraw/zinc/04/66/70/279046670.db2.gz YRFDLYLMOJVFMS-SOFGYWHQSA-N 1 2 278.308 2.103 20 5 CEBDLO CC(C)(C)[C@@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])C(N)=O ZINC000119425741 279749244 /nfs/dbraw/zinc/74/92/44/279749244.db2.gz DDNGPLDLSZBCEI-NSHDSACASA-N 1 2 299.758 2.238 20 5 CEBDLO Cc1csc2c1C[N@H+](Cc1c([N+](=O)[O-])ncn1C)CC2 ZINC000374847617 293067153 /nfs/dbraw/zinc/06/71/53/293067153.db2.gz SBXWNBJUZYYRKU-UHFFFAOYSA-N 1 2 292.364 2.257 20 5 CEBDLO Cc1csc2c1C[N@@H+](Cc1c([N+](=O)[O-])ncn1C)CC2 ZINC000374847617 293067156 /nfs/dbraw/zinc/06/71/56/293067156.db2.gz SBXWNBJUZYYRKU-UHFFFAOYSA-N 1 2 292.364 2.257 20 5 CEBDLO O=C(Nc1cccc2[nH+]ccn21)c1ccccc1[N+](=O)[O-] ZINC000357450767 534376721 /nfs/dbraw/zinc/37/67/21/534376721.db2.gz ITYYJAVOOUMKPF-UHFFFAOYSA-N 1 2 282.259 2.495 20 5 CEBDLO CC(=O)c1ccc(NCc2c[nH+]cn2C)c([N+](=O)[O-])c1 ZINC000357608434 527317836 /nfs/dbraw/zinc/31/78/36/527317836.db2.gz RPPTYMLZXWXTNU-UHFFFAOYSA-N 1 2 274.280 2.143 20 5 CEBDLO C[N@@H+]1CCCC[C@@H]1C(=O)OCc1cc(F)ccc1[N+](=O)[O-] ZINC000745081008 575131944 /nfs/dbraw/zinc/13/19/44/575131944.db2.gz DTRZHWFCFOOJOH-CYBMUJFWSA-N 1 2 296.298 2.261 20 5 CEBDLO C[N@H+]1CCCC[C@@H]1C(=O)OCc1cc(F)ccc1[N+](=O)[O-] ZINC000745081008 575131945 /nfs/dbraw/zinc/13/19/45/575131945.db2.gz DTRZHWFCFOOJOH-CYBMUJFWSA-N 1 2 296.298 2.261 20 5 CEBDLO C[C@@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])CCO1 ZINC000932349562 622654722 /nfs/dbraw/zinc/65/47/22/622654722.db2.gz GPALPKSCCHFVNS-SNVBAGLBSA-N 1 2 268.288 2.345 20 5 CEBDLO C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])CCO1 ZINC000932349562 622654725 /nfs/dbraw/zinc/65/47/25/622654725.db2.gz GPALPKSCCHFVNS-SNVBAGLBSA-N 1 2 268.288 2.345 20 5 CEBDLO CCCOC(=O)[C@@H](C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000801599828 631297406 /nfs/dbraw/zinc/29/74/06/631297406.db2.gz DWIBYMCVLRVOEZ-GFCCVEGCSA-N 1 2 294.351 2.411 20 5 CEBDLO CCCOC(=O)[C@@H](C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000801599828 631297410 /nfs/dbraw/zinc/29/74/10/631297410.db2.gz DWIBYMCVLRVOEZ-GFCCVEGCSA-N 1 2 294.351 2.411 20 5 CEBDLO CC[NH2+]Cc1noc([C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)n1 ZINC000904499772 635657435 /nfs/dbraw/zinc/65/74/35/635657435.db2.gz HXJRIDOUWDQRLH-NEPJUHHUSA-N 1 2 288.307 2.358 20 5 CEBDLO Cc1cc(C(=O)Nc2cc[nH+]c(C)c2)c(N)c([N+](=O)[O-])c1 ZINC000104827727 640101523 /nfs/dbraw/zinc/10/15/23/640101523.db2.gz VRAZPJNRLMZMSI-UHFFFAOYSA-N 1 2 286.291 2.441 20 5 CEBDLO CON1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000846974843 641504961 /nfs/dbraw/zinc/50/49/61/641504961.db2.gz DQQDRZFVASAWQT-LBPRGKRZSA-N 1 2 279.340 2.143 20 5 CEBDLO Cc1noc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000851874345 643204025 /nfs/dbraw/zinc/20/40/25/643204025.db2.gz DJDLTFBEAVRUDP-SSDOTTSWSA-N 1 2 279.218 2.275 20 5 CEBDLO Cc1noc(C[N@H+]2CC[C@@H](C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000851874345 643204029 /nfs/dbraw/zinc/20/40/29/643204029.db2.gz DJDLTFBEAVRUDP-SSDOTTSWSA-N 1 2 279.218 2.275 20 5 CEBDLO CC[C@H]([NH2+]Cc1cnon1)c1cccc([N+](=O)[O-])c1 ZINC000851905322 643217874 /nfs/dbraw/zinc/21/78/74/643217874.db2.gz CQZMIKJCPUDAHD-LBPRGKRZSA-N 1 2 262.269 2.219 20 5 CEBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)ccc1Cl ZINC000852538609 643463534 /nfs/dbraw/zinc/46/35/34/643463534.db2.gz JVUBMIQFWXBRCI-GXFFZTMASA-N 1 2 282.727 2.205 20 5 CEBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)ccc1Cl ZINC000852538609 643463540 /nfs/dbraw/zinc/46/35/40/643463540.db2.gz JVUBMIQFWXBRCI-GXFFZTMASA-N 1 2 282.727 2.205 20 5 CEBDLO Cn1cc(C[NH2+]Cc2ccccc2[N+](=O)[O-])c(Cl)n1 ZINC000856766438 644714273 /nfs/dbraw/zinc/71/42/73/644714273.db2.gz YTEWJSYSHQXMMJ-UHFFFAOYSA-N 1 2 280.715 2.272 20 5 CEBDLO CCCn1cc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)nn1 ZINC000865787280 647464835 /nfs/dbraw/zinc/46/48/35/647464835.db2.gz KHBXZPDVKAWCIE-UHFFFAOYSA-N 1 2 289.339 2.195 20 5 CEBDLO O=C(OCCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])c(F)c1 ZINC000783438799 647716498 /nfs/dbraw/zinc/71/64/98/647716498.db2.gz PIBRFKOMTUPVIU-UHFFFAOYSA-N 1 2 293.254 2.178 20 5 CEBDLO O=[N+]([O-])CC[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000791054790 648477020 /nfs/dbraw/zinc/47/70/20/648477020.db2.gz XVDJPWXNHWNBLZ-NSHDSACASA-N 1 2 270.354 2.006 20 5 CEBDLO O=[N+]([O-])CC[N@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000791054790 648477021 /nfs/dbraw/zinc/47/70/21/648477021.db2.gz XVDJPWXNHWNBLZ-NSHDSACASA-N 1 2 270.354 2.006 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)OCCc1c[nH+]cn1C ZINC000793237830 648727855 /nfs/dbraw/zinc/72/78/55/648727855.db2.gz JABRBITZIOZPLL-UHFFFAOYSA-N 1 2 289.291 2.036 20 5 CEBDLO O=[N+]([O-])c1ccnn1C[NH+]1CCC2(CCSCC2)CC1 ZINC000872642528 649447559 /nfs/dbraw/zinc/44/75/59/649447559.db2.gz FIJOVHBMFMZELE-UHFFFAOYSA-N 1 2 296.396 2.358 20 5 CEBDLO CC(C)[C@H](O)CC[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001119306149 815087372 /nfs/dbraw/zinc/08/73/72/815087372.db2.gz MZFKDUPAKQNZKE-CQSZACIVSA-N 1 2 264.325 2.317 20 5 CEBDLO CC(C)[C@H](O)CC[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001119306149 815087376 /nfs/dbraw/zinc/08/73/76/815087376.db2.gz MZFKDUPAKQNZKE-CQSZACIVSA-N 1 2 264.325 2.317 20 5 CEBDLO Cc1nc([C@@H](C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)no1 ZINC001116559293 808838656 /nfs/dbraw/zinc/83/86/56/808838656.db2.gz MNKPLHOAROZQLF-SECBINFHSA-N 1 2 292.295 2.016 20 5 CEBDLO COc1ccc(C[C@@H](C)[N@H+]2C=C(N)C=CC2)c([N+](=O)[O-])c1 ZINC001170317894 812385171 /nfs/dbraw/zinc/38/51/71/812385171.db2.gz LTFCIDXQMNBWSN-LLVKDONJSA-N 1 2 289.335 2.206 20 5 CEBDLO COc1ccc(C[C@@H](C)[N@@H+]2C=C(N)C=CC2)c([N+](=O)[O-])c1 ZINC001170317894 812385174 /nfs/dbraw/zinc/38/51/74/812385174.db2.gz LTFCIDXQMNBWSN-LLVKDONJSA-N 1 2 289.335 2.206 20 5 CEBDLO CCC(F)(F)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000697587501 814649684 /nfs/dbraw/zinc/64/96/84/814649684.db2.gz PGQATFIGYWCNHO-NSHDSACASA-N 1 2 274.267 2.263 20 5 CEBDLO COC(=O)[C@@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001173212610 815635787 /nfs/dbraw/zinc/63/57/87/815635787.db2.gz BMOOPZGWCIPZLZ-RISCZKNCSA-N 1 2 294.351 2.313 20 5 CEBDLO COc1ccc(C[N@@H+]2CC[C@@H](F)C2)cc1[N+](=O)[O-] ZINC000449390007 282213768 /nfs/dbraw/zinc/21/37/68/282213768.db2.gz USKWDLJCXCQWIG-SNVBAGLBSA-N 1 2 254.261 2.147 20 5 CEBDLO COc1ccc(C[N@H+]2CC[C@@H](F)C2)cc1[N+](=O)[O-] ZINC000449390007 282213770 /nfs/dbraw/zinc/21/37/70/282213770.db2.gz USKWDLJCXCQWIG-SNVBAGLBSA-N 1 2 254.261 2.147 20 5 CEBDLO CN(C)c1[nH+]cccc1CNc1ccncc1[N+](=O)[O-] ZINC000066808787 343722394 /nfs/dbraw/zinc/72/23/94/343722394.db2.gz NUSZPXOZMXPKMR-UHFFFAOYSA-N 1 2 273.296 2.063 20 5 CEBDLO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@](O)(C(F)(F)F)C2)c1 ZINC000081068693 344038234 /nfs/dbraw/zinc/03/82/34/344038234.db2.gz WASOLXAHKOJGBK-LLVKDONJSA-N 1 2 290.241 2.094 20 5 CEBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)c1 ZINC000081068693 344038235 /nfs/dbraw/zinc/03/82/35/344038235.db2.gz WASOLXAHKOJGBK-LLVKDONJSA-N 1 2 290.241 2.094 20 5 CEBDLO C[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1O)CC(C)(C)C ZINC000602127218 346979263 /nfs/dbraw/zinc/97/92/63/346979263.db2.gz RZWOJTFOZXMJQU-UHFFFAOYSA-N 1 2 295.339 2.217 20 5 CEBDLO C[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1O)CC(C)(C)C ZINC000602127218 346979264 /nfs/dbraw/zinc/97/92/64/346979264.db2.gz RZWOJTFOZXMJQU-UHFFFAOYSA-N 1 2 295.339 2.217 20 5 CEBDLO CCOC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000050064956 362397097 /nfs/dbraw/zinc/39/70/97/362397097.db2.gz PDVUCSZHZSKMNQ-AWEZNQCLSA-N 1 2 292.335 2.431 20 5 CEBDLO CCOC(=O)[C@@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000050064956 362397098 /nfs/dbraw/zinc/39/70/98/362397098.db2.gz PDVUCSZHZSKMNQ-AWEZNQCLSA-N 1 2 292.335 2.431 20 5 CEBDLO C[C@@H](Cn1cc[nH+]c1)Nc1c(Cl)cncc1[N+](=O)[O-] ZINC000311501516 344734398 /nfs/dbraw/zinc/73/43/98/344734398.db2.gz YLBDPSUYQMTAOO-QMMMGPOBSA-N 1 2 281.703 2.340 20 5 CEBDLO O=[N+]([O-])c1ccccc1C[NH+]1CC2(CC2(F)F)C1 ZINC000594608985 345660225 /nfs/dbraw/zinc/66/02/25/345660225.db2.gz KDWZULKQGPVWME-UHFFFAOYSA-N 1 2 254.236 2.436 20 5 CEBDLO O=[N+]([O-])c1ccccc1C[NH2+]Cc1cn(C2CCC2)nn1 ZINC000594926907 345705195 /nfs/dbraw/zinc/70/51/95/345705195.db2.gz XOAQZUKGKANICE-UHFFFAOYSA-N 1 2 287.323 2.201 20 5 CEBDLO Cc1noc(C[N@@H+]2CCSC(C)(C)C2)c1[N+](=O)[O-] ZINC000595337511 345764015 /nfs/dbraw/zinc/76/40/15/345764015.db2.gz ATIDBAOPDVRFBZ-UHFFFAOYSA-N 1 2 271.342 2.219 20 5 CEBDLO Cc1noc(C[N@H+]2CCSC(C)(C)C2)c1[N+](=O)[O-] ZINC000595337511 345764016 /nfs/dbraw/zinc/76/40/16/345764016.db2.gz ATIDBAOPDVRFBZ-UHFFFAOYSA-N 1 2 271.342 2.219 20 5 CEBDLO CCOc1cc(CN(C)Cc2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000595399695 345774605 /nfs/dbraw/zinc/77/46/05/345774605.db2.gz PQQZOVWXZSKVEA-UHFFFAOYSA-N 1 2 290.323 2.349 20 5 CEBDLO C[C@H]1COC2(CCC2)C[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000595681381 345847403 /nfs/dbraw/zinc/84/74/03/345847403.db2.gz LHGFKVKEHOQKAL-NSHDSACASA-N 1 2 292.335 2.444 20 5 CEBDLO C[C@H]1COC2(CCC2)C[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000595681381 345847405 /nfs/dbraw/zinc/84/74/05/345847405.db2.gz LHGFKVKEHOQKAL-NSHDSACASA-N 1 2 292.335 2.444 20 5 CEBDLO CC[C@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@H]1O ZINC000599063767 346454190 /nfs/dbraw/zinc/45/41/90/346454190.db2.gz HBYDKWXHNXCFNN-IINYFYTJSA-N 1 2 287.319 2.350 20 5 CEBDLO Cc1[nH]c(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c[nH+]1 ZINC000339224684 215024277 /nfs/dbraw/zinc/02/42/77/215024277.db2.gz CKMRQWNNZQXMRZ-MRVPVSSYSA-N 1 2 274.280 2.117 20 5 CEBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000599599348 346544472 /nfs/dbraw/zinc/54/44/72/346544472.db2.gz NVHQQBDWJMFZOP-GXTWGEPZSA-N 1 2 280.299 2.487 20 5 CEBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000599599348 346544473 /nfs/dbraw/zinc/54/44/73/346544473.db2.gz NVHQQBDWJMFZOP-GXTWGEPZSA-N 1 2 280.299 2.487 20 5 CEBDLO C[N@@H+]1CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1(C)C ZINC000601187279 346780713 /nfs/dbraw/zinc/78/07/13/346780713.db2.gz QHZHYSQWECWGIH-UHFFFAOYSA-N 1 2 284.747 2.174 20 5 CEBDLO C[N@H+]1CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1(C)C ZINC000601187279 346780716 /nfs/dbraw/zinc/78/07/16/346780716.db2.gz QHZHYSQWECWGIH-UHFFFAOYSA-N 1 2 284.747 2.174 20 5 CEBDLO CC1(C)C[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]1c1ccco1 ZINC000602928031 347249906 /nfs/dbraw/zinc/24/99/06/347249906.db2.gz VWONZDUPGVQWIZ-ZDUSSCGKSA-N 1 2 290.323 2.467 20 5 CEBDLO CC1(C)C[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]1c1ccco1 ZINC000602928031 347249908 /nfs/dbraw/zinc/24/99/08/347249908.db2.gz VWONZDUPGVQWIZ-ZDUSSCGKSA-N 1 2 290.323 2.467 20 5 CEBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@H]2CCO)c(F)c1 ZINC000351822976 219216202 /nfs/dbraw/zinc/21/62/02/219216202.db2.gz ZJRDRCKIYVCWTR-VIFPVBQESA-N 1 2 286.278 2.220 20 5 CEBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@H]2CCO)c(F)c1 ZINC000351822976 219216205 /nfs/dbraw/zinc/21/62/05/219216205.db2.gz ZJRDRCKIYVCWTR-VIFPVBQESA-N 1 2 286.278 2.220 20 5 CEBDLO Cc1nc(N2CCC[C@@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000610754828 347711278 /nfs/dbraw/zinc/71/12/78/347711278.db2.gz KJXBAHLUTSQCOC-GFCCVEGCSA-N 1 2 287.323 2.336 20 5 CEBDLO CC1(C)[C@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])[C@H]2CCO[C@@H]21 ZINC000610787940 347714817 /nfs/dbraw/zinc/71/48/17/347714817.db2.gz RJNRHXSITFIJCG-BNOWGMLFSA-N 1 2 292.335 2.204 20 5 CEBDLO O=[N+]([O-])c1cc(F)c(C[N@H+](CCO)CC2CC2)c(F)c1 ZINC000351861230 219228643 /nfs/dbraw/zinc/22/86/43/219228643.db2.gz RKTPLHWENSVOFJ-UHFFFAOYSA-N 1 2 286.278 2.077 20 5 CEBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+](CCO)CC2CC2)c(F)c1 ZINC000351861230 219228644 /nfs/dbraw/zinc/22/86/44/219228644.db2.gz RKTPLHWENSVOFJ-UHFFFAOYSA-N 1 2 286.278 2.077 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000104659696 186011404 /nfs/dbraw/zinc/01/14/04/186011404.db2.gz TXEDNUKKERKFOG-OLZOCXBDSA-N 1 2 293.367 2.424 20 5 CEBDLO Cn1ncc2c1CCC[N@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC000411851015 233289217 /nfs/dbraw/zinc/28/92/17/233289217.db2.gz WZZIOZLDAGRPHH-UHFFFAOYSA-N 1 2 292.364 2.338 20 5 CEBDLO Cn1ncc2c1CCC[N@@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC000411851015 233289218 /nfs/dbraw/zinc/28/92/18/233289218.db2.gz WZZIOZLDAGRPHH-UHFFFAOYSA-N 1 2 292.364 2.338 20 5 CEBDLO Cc1ccc(-c2noc(Cn3cc[nH+]c3)n2)cc1[N+](=O)[O-] ZINC000568941375 299167243 /nfs/dbraw/zinc/16/72/43/299167243.db2.gz ISNPMJGRBPRYTJ-UHFFFAOYSA-N 1 2 285.263 2.198 20 5 CEBDLO CCCNC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153293737 188075730 /nfs/dbraw/zinc/07/57/30/188075730.db2.gz DCUFRSWLLAOOMR-UHFFFAOYSA-N 1 2 291.351 2.085 20 5 CEBDLO CCCNC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153293737 188075731 /nfs/dbraw/zinc/07/57/31/188075731.db2.gz DCUFRSWLLAOOMR-UHFFFAOYSA-N 1 2 291.351 2.085 20 5 CEBDLO Cc1nn(Cc2c(C)[nH+]c3ccccn32)c(C)c1[N+](=O)[O-] ZINC000132937708 366181612 /nfs/dbraw/zinc/18/16/12/366181612.db2.gz IPUMYFXDACSKST-UHFFFAOYSA-N 1 2 285.307 2.413 20 5 CEBDLO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3cnn[nH]3)C2)cc1 ZINC000451551770 283031873 /nfs/dbraw/zinc/03/18/73/283031873.db2.gz VEWPWVFVIYSTAL-LBPRGKRZSA-N 1 2 287.323 2.093 20 5 CEBDLO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](Cc3cnn[nH]3)C2)cc1 ZINC000451551770 283031874 /nfs/dbraw/zinc/03/18/74/283031874.db2.gz VEWPWVFVIYSTAL-LBPRGKRZSA-N 1 2 287.323 2.093 20 5 CEBDLO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3c[nH]nn3)C2)cc1 ZINC000451551770 283031876 /nfs/dbraw/zinc/03/18/76/283031876.db2.gz VEWPWVFVIYSTAL-LBPRGKRZSA-N 1 2 287.323 2.093 20 5 CEBDLO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](Cc3c[nH]nn3)C2)cc1 ZINC000451551770 283031878 /nfs/dbraw/zinc/03/18/78/283031878.db2.gz VEWPWVFVIYSTAL-LBPRGKRZSA-N 1 2 287.323 2.093 20 5 CEBDLO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3cn[nH]n3)C2)cc1 ZINC000451551770 283031881 /nfs/dbraw/zinc/03/18/81/283031881.db2.gz VEWPWVFVIYSTAL-LBPRGKRZSA-N 1 2 287.323 2.093 20 5 CEBDLO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](Cc3cn[nH]n3)C2)cc1 ZINC000451551770 283031883 /nfs/dbraw/zinc/03/18/83/283031883.db2.gz VEWPWVFVIYSTAL-LBPRGKRZSA-N 1 2 287.323 2.093 20 5 CEBDLO C[C@H]1C[C@@H](O)C[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000452068268 283176527 /nfs/dbraw/zinc/17/65/27/283176527.db2.gz KARZAMCOHKPURZ-WCBMZHEXSA-N 1 2 286.278 2.076 20 5 CEBDLO C[C@H]1C[C@@H](O)C[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000452068268 283176530 /nfs/dbraw/zinc/17/65/30/283176530.db2.gz KARZAMCOHKPURZ-WCBMZHEXSA-N 1 2 286.278 2.076 20 5 CEBDLO CCC[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)C(=O)OCC ZINC000135167544 366403828 /nfs/dbraw/zinc/40/38/28/366403828.db2.gz VMJJDIZTVYNMJW-AWEZNQCLSA-N 1 2 294.351 2.459 20 5 CEBDLO CCn1cc[nH+]c1CNc1ccc([N+](=O)[O-])c(C)n1 ZINC000294946502 199265245 /nfs/dbraw/zinc/26/52/45/199265245.db2.gz IPSFYDHQIISFOL-UHFFFAOYSA-N 1 2 261.285 2.127 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000339168070 366687443 /nfs/dbraw/zinc/68/74/43/366687443.db2.gz KCAYCTFSHNGIGY-GJZGRUSLSA-N 1 2 292.335 2.444 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000339168070 366687447 /nfs/dbraw/zinc/68/74/47/366687447.db2.gz KCAYCTFSHNGIGY-GJZGRUSLSA-N 1 2 292.335 2.444 20 5 CEBDLO CCCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000031810888 361719666 /nfs/dbraw/zinc/71/96/66/361719666.db2.gz RQLOULZKNBBPGA-UHFFFAOYSA-N 1 2 288.307 2.310 20 5 CEBDLO Cc1[nH+]c2ccccc2n1CCNc1ncc([N+](=O)[O-])cn1 ZINC000302102029 201342810 /nfs/dbraw/zinc/34/28/10/201342810.db2.gz LQRMYGYNKALTTK-UHFFFAOYSA-N 1 2 298.306 2.155 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1N[C@H](C)C[NH+]1CCOCC1 ZINC000112209056 364778060 /nfs/dbraw/zinc/77/80/60/364778060.db2.gz ZPIJNTCUPNMZTI-GFCCVEGCSA-N 1 2 279.340 2.036 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCc1c[nH+]cn1C ZINC000194969641 189669923 /nfs/dbraw/zinc/66/99/23/189669923.db2.gz QTFFYHSQAJEWGQ-UHFFFAOYSA-N 1 2 288.307 2.208 20 5 CEBDLO C[C@@]([NH2+]Cc1ccc([N+](=O)[O-])cc1)(C(N)=O)c1ccccc1 ZINC000120009043 365360163 /nfs/dbraw/zinc/36/01/63/365360163.db2.gz KYDJARKTYHONRY-INIZCTEOSA-N 1 2 299.330 2.085 20 5 CEBDLO Cc1ccc2[nH+]c(CNc3ccc([N+](=O)[O-])c(C)n3)cn2c1 ZINC000346111807 368547434 /nfs/dbraw/zinc/54/74/34/368547434.db2.gz BWQMHRSYWUMGET-UHFFFAOYSA-N 1 2 297.318 2.288 20 5 CEBDLO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000186362021 368963143 /nfs/dbraw/zinc/96/31/43/368963143.db2.gz TXPIRXKPECRTEP-OAHLLOKOSA-N 1 2 292.335 2.431 20 5 CEBDLO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000186362021 368963149 /nfs/dbraw/zinc/96/31/49/368963149.db2.gz TXPIRXKPECRTEP-OAHLLOKOSA-N 1 2 292.335 2.431 20 5 CEBDLO COc1ccc(C[N@@H+]2CCO[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000330718413 203151181 /nfs/dbraw/zinc/15/11/81/203151181.db2.gz ARBREQFPXQTGCX-OAHLLOKOSA-N 1 2 294.351 2.460 20 5 CEBDLO COc1ccc(C[N@H+]2CCO[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000330718413 203151183 /nfs/dbraw/zinc/15/11/83/203151183.db2.gz ARBREQFPXQTGCX-OAHLLOKOSA-N 1 2 294.351 2.460 20 5 CEBDLO C[C@H]1COCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1Cl ZINC000352634380 369814561 /nfs/dbraw/zinc/81/45/61/369814561.db2.gz ZSHBXVOQUKNJIX-JTQLQIEISA-N 1 2 299.758 2.381 20 5 CEBDLO C[C@H]1COCC[N@H+]1CCNc1ccc([N+](=O)[O-])cc1Cl ZINC000352634380 369814564 /nfs/dbraw/zinc/81/45/64/369814564.db2.gz ZSHBXVOQUKNJIX-JTQLQIEISA-N 1 2 299.758 2.381 20 5 CEBDLO COc1cc(C[N@@H+]2CCO[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000352533941 369776522 /nfs/dbraw/zinc/77/65/22/369776522.db2.gz BIWSCEDYVGDNHQ-MNOVXSKESA-N 1 2 280.324 2.213 20 5 CEBDLO COc1cc(C[N@H+]2CCO[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000352533941 369776525 /nfs/dbraw/zinc/77/65/25/369776525.db2.gz BIWSCEDYVGDNHQ-MNOVXSKESA-N 1 2 280.324 2.213 20 5 CEBDLO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)[S@]1=O ZINC000352883118 369929502 /nfs/dbraw/zinc/92/95/02/369929502.db2.gz JAICDSKLKPGRMG-GZNWPSJOSA-N 1 2 296.392 2.326 20 5 CEBDLO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)[S@]1=O ZINC000352883118 369929505 /nfs/dbraw/zinc/92/95/05/369929505.db2.gz JAICDSKLKPGRMG-GZNWPSJOSA-N 1 2 296.392 2.326 20 5 CEBDLO COc1ccc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000195663374 370144649 /nfs/dbraw/zinc/14/46/49/370144649.db2.gz MCZAWCYZQVWXII-WDEREUQCSA-N 1 2 280.324 2.213 20 5 CEBDLO COc1ccc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000195663374 370144656 /nfs/dbraw/zinc/14/46/56/370144656.db2.gz MCZAWCYZQVWXII-WDEREUQCSA-N 1 2 280.324 2.213 20 5 CEBDLO C[C@@H](Cn1cc[nH+]c1)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000223215038 370262580 /nfs/dbraw/zinc/26/25/80/370262580.db2.gz OHBCRPGUARMPHZ-QMMMGPOBSA-N 1 2 281.703 2.340 20 5 CEBDLO CCN(CC)c1ccc(Nc2ccncc2[N+](=O)[O-])c[nH+]1 ZINC000359005491 371300094 /nfs/dbraw/zinc/30/00/94/371300094.db2.gz FYIDOOVJOMOZHM-UHFFFAOYSA-N 1 2 287.323 2.397 20 5 CEBDLO CC[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CCOC1 ZINC000361590371 371955136 /nfs/dbraw/zinc/95/51/36/371955136.db2.gz UKFPMOOJGUUHJN-VIFPVBQESA-N 1 2 286.278 2.484 20 5 CEBDLO CC[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CCOC1 ZINC000361590371 371955142 /nfs/dbraw/zinc/95/51/42/371955142.db2.gz UKFPMOOJGUUHJN-VIFPVBQESA-N 1 2 286.278 2.484 20 5 CEBDLO O=[N+]([O-])c1cccnc1N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000267222124 372061468 /nfs/dbraw/zinc/06/14/68/372061468.db2.gz DEAFKUHTTBQXGH-JTQLQIEISA-N 1 2 273.296 2.445 20 5 CEBDLO CC[C@@H]1C[N@H+](CCNc2ccc(C)cc2[N+](=O)[O-])CCO1 ZINC000362670383 372480915 /nfs/dbraw/zinc/48/09/15/372480915.db2.gz JYDFZTKVRSKIEE-CYBMUJFWSA-N 1 2 293.367 2.426 20 5 CEBDLO CC[C@@H]1C[N@@H+](CCNc2ccc(C)cc2[N+](=O)[O-])CCO1 ZINC000362670383 372480922 /nfs/dbraw/zinc/48/09/22/372480922.db2.gz JYDFZTKVRSKIEE-CYBMUJFWSA-N 1 2 293.367 2.426 20 5 CEBDLO CN(Cc1[nH+]ccn1C)c1c(F)cc([N+](=O)[O-])cc1F ZINC000270927772 373018397 /nfs/dbraw/zinc/01/83/97/373018397.db2.gz KCLPLUIDBVHONX-UHFFFAOYSA-N 1 2 282.250 2.243 20 5 CEBDLO Cc1cn2c([nH+]1)CN(Cc1cccc([N+](=O)[O-])c1C)CC2 ZINC000371699714 373953947 /nfs/dbraw/zinc/95/39/47/373953947.db2.gz JJHSNQQCPACTQQ-UHFFFAOYSA-N 1 2 286.335 2.424 20 5 CEBDLO Nc1c(F)c(NCCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000274629094 373990562 /nfs/dbraw/zinc/99/05/62/373990562.db2.gz BKNYVKRJOIMTME-UHFFFAOYSA-N 1 2 279.275 2.015 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000277461392 374528367 /nfs/dbraw/zinc/52/83/67/374528367.db2.gz LJFXPTMUUQQJCO-YBTHPKLGSA-N 1 2 296.392 2.104 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000277461392 374528369 /nfs/dbraw/zinc/52/83/69/374528369.db2.gz LJFXPTMUUQQJCO-YBTHPKLGSA-N 1 2 296.392 2.104 20 5 CEBDLO O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000374467832 374579122 /nfs/dbraw/zinc/57/91/22/374579122.db2.gz CLTSLZCDXAZAHK-GFCCVEGCSA-N 1 2 286.291 2.295 20 5 CEBDLO Cc1cn2c([nH+]1)CN(Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000374711514 374627988 /nfs/dbraw/zinc/62/79/88/374627988.db2.gz RFFZAFGVXQPWGG-UHFFFAOYSA-N 1 2 272.308 2.116 20 5 CEBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(OC(C)(C)C)CC1 ZINC000330957503 377213367 /nfs/dbraw/zinc/21/33/67/377213367.db2.gz NPKRBDDDWCLUKM-UHFFFAOYSA-N 1 2 296.371 2.108 20 5 CEBDLO CC[NH+]1C[C@@H](C)N(Cc2cc(O)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000331352764 377395430 /nfs/dbraw/zinc/39/54/30/377395430.db2.gz ORYVHICERDYVPO-VXGBXAGGSA-N 1 2 293.367 2.215 20 5 CEBDLO CO[C@@H]1CCC[C@@H]1C[NH+]=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000447692606 378131456 /nfs/dbraw/zinc/13/14/56/378131456.db2.gz GPVAQLBDRBDROS-NOZJJQNGSA-N 1 2 290.323 2.120 20 5 CEBDLO CC(C)[N@H+](Cc1ccccc1[N+](=O)[O-])C1COC1 ZINC000295422206 378149440 /nfs/dbraw/zinc/14/94/40/378149440.db2.gz NLAIMJUUJDNTBW-UHFFFAOYSA-N 1 2 250.298 2.204 20 5 CEBDLO CC(C)[N@@H+](Cc1ccccc1[N+](=O)[O-])C1COC1 ZINC000295422206 378149444 /nfs/dbraw/zinc/14/94/44/378149444.db2.gz NLAIMJUUJDNTBW-UHFFFAOYSA-N 1 2 250.298 2.204 20 5 CEBDLO CCOc1cc(C[N@H+](C2CC2)C2COC2)ccc1[N+](=O)[O-] ZINC000295528681 378197976 /nfs/dbraw/zinc/19/79/76/378197976.db2.gz VGWJSUMGGVDXCW-UHFFFAOYSA-N 1 2 292.335 2.357 20 5 CEBDLO CCOc1cc(C[N@@H+](C2CC2)C2COC2)ccc1[N+](=O)[O-] ZINC000295528681 378197981 /nfs/dbraw/zinc/19/79/81/378197981.db2.gz VGWJSUMGGVDXCW-UHFFFAOYSA-N 1 2 292.335 2.357 20 5 CEBDLO CCn1nc(C)c(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000295485863 378178301 /nfs/dbraw/zinc/17/83/01/378178301.db2.gz SJUJLCXKBZVLBL-SNVBAGLBSA-N 1 2 289.339 2.365 20 5 CEBDLO COc1ccc(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)cc1[N+](=O)[O-] ZINC000299075111 378891895 /nfs/dbraw/zinc/89/18/95/378891895.db2.gz COZRZSWWXHXBOU-IUODEOHRSA-N 1 2 292.335 2.357 20 5 CEBDLO COc1ccc(C[N@H+]2CCO[C@@H]3CCC[C@H]32)cc1[N+](=O)[O-] ZINC000299075111 378891901 /nfs/dbraw/zinc/89/19/01/378891901.db2.gz COZRZSWWXHXBOU-IUODEOHRSA-N 1 2 292.335 2.357 20 5 CEBDLO CCn1nccc1C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000507131413 379097823 /nfs/dbraw/zinc/09/78/23/379097823.db2.gz ARXMVRLCILKVRR-UHFFFAOYSA-N 1 2 274.324 2.443 20 5 CEBDLO CCn1nccc1C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000507131413 379097831 /nfs/dbraw/zinc/09/78/31/379097831.db2.gz ARXMVRLCILKVRR-UHFFFAOYSA-N 1 2 274.324 2.443 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1NCC[N@@H+]1CCO[C@H](C)C1 ZINC000548285727 380494999 /nfs/dbraw/zinc/49/49/99/380494999.db2.gz VUOIRJZDDZKIRL-GFCCVEGCSA-N 1 2 279.340 2.036 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1NCC[N@H+]1CCO[C@H](C)C1 ZINC000548285727 380495005 /nfs/dbraw/zinc/49/50/05/380495005.db2.gz VUOIRJZDDZKIRL-GFCCVEGCSA-N 1 2 279.340 2.036 20 5 CEBDLO Cc1cc(NCCc2ccc(Cl)cc2[N+](=O)[O-])nc[nH+]1 ZINC000349906569 218949555 /nfs/dbraw/zinc/94/95/55/218949555.db2.gz WROUNFIFDDEQBT-UHFFFAOYSA-N 1 2 292.726 2.423 20 5 CEBDLO CC[C@@H](Nc1ncc([N+](=O)[O-])cc1F)c1[nH]cc[nH+]1 ZINC000413245298 394511437 /nfs/dbraw/zinc/51/14/37/394511437.db2.gz JKQPPBVZXRWAPP-SECBINFHSA-N 1 2 265.248 2.415 20 5 CEBDLO C[C@@H](CCO)CCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413337896 394530087 /nfs/dbraw/zinc/53/00/87/394530087.db2.gz WWQNZICWYPFRMF-LLVKDONJSA-N 1 2 289.335 2.385 20 5 CEBDLO Cc1cccc(C[N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)c1 ZINC000355796664 394534172 /nfs/dbraw/zinc/53/41/72/394534172.db2.gz RIOMJWWBRGYYLL-UHFFFAOYSA-N 1 2 274.324 2.269 20 5 CEBDLO Cc1cccc(C[N@H+](C)Cc2c([N+](=O)[O-])ncn2C)c1 ZINC000355796664 394534176 /nfs/dbraw/zinc/53/41/76/394534176.db2.gz RIOMJWWBRGYYLL-UHFFFAOYSA-N 1 2 274.324 2.269 20 5 CEBDLO CCn1cc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cn1 ZINC000093443672 394665944 /nfs/dbraw/zinc/66/59/44/394665944.db2.gz QDKPSJCCELZDFT-UHFFFAOYSA-N 1 2 286.335 2.370 20 5 CEBDLO CCn1cc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cn1 ZINC000093443672 394665949 /nfs/dbraw/zinc/66/59/49/394665949.db2.gz QDKPSJCCELZDFT-UHFFFAOYSA-N 1 2 286.335 2.370 20 5 CEBDLO COC(=O)[C@H]1C[C@@H](C)CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000274986790 394803775 /nfs/dbraw/zinc/80/37/75/394803775.db2.gz NGVRUWNPDUBJLA-SMDDNHRTSA-N 1 2 292.335 2.368 20 5 CEBDLO COC(=O)[C@H]1C[C@@H](C)CC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000274986790 394803778 /nfs/dbraw/zinc/80/37/78/394803778.db2.gz NGVRUWNPDUBJLA-SMDDNHRTSA-N 1 2 292.335 2.368 20 5 CEBDLO CC1(C)[C@H](O)CC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000361406930 394827127 /nfs/dbraw/zinc/82/71/27/394827127.db2.gz BRHULXLHQWGXNH-GFCCVEGCSA-N 1 2 286.278 2.218 20 5 CEBDLO CC1(C)[C@H](O)CC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000361406930 394827129 /nfs/dbraw/zinc/82/71/29/394827129.db2.gz BRHULXLHQWGXNH-GFCCVEGCSA-N 1 2 286.278 2.218 20 5 CEBDLO CC(C)c1ccc(C(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000188878549 395321888 /nfs/dbraw/zinc/32/18/88/395321888.db2.gz MQHSKHSGACIADT-UHFFFAOYSA-N 1 2 291.351 2.106 20 5 CEBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cncs3)nc2c1 ZINC000446853265 395500506 /nfs/dbraw/zinc/50/05/06/395500506.db2.gz OVIJBNPUOMVUMM-UHFFFAOYSA-N 1 2 289.320 2.217 20 5 CEBDLO O=[N+]([O-])c1cnn([C@@H]2CCCN(c3cccc[nH+]3)C2)c1 ZINC000375383107 157088793 /nfs/dbraw/zinc/08/87/93/157088793.db2.gz ZRERQWQINXDQPO-LLVKDONJSA-N 1 2 273.296 2.028 20 5 CEBDLO O=[N+]([O-])c1cc(CSCC[NH+]2CCOCC2)cs1 ZINC000159861717 162315969 /nfs/dbraw/zinc/31/59/69/162315969.db2.gz DQLOSDFIZGNRTM-UHFFFAOYSA-N 1 2 288.394 2.222 20 5 CEBDLO Cc1cc(NC(=O)COc2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC000010163010 170399310 /nfs/dbraw/zinc/39/93/10/170399310.db2.gz GDOHQGGNFKDNFB-UHFFFAOYSA-N 1 2 287.275 2.316 20 5 CEBDLO CCc1nnc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000285405532 196274668 /nfs/dbraw/zinc/27/46/68/196274668.db2.gz UHJNYWUAFIHBEE-UHFFFAOYSA-N 1 2 290.323 2.215 20 5 CEBDLO CCc1nnc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000285405532 196274670 /nfs/dbraw/zinc/27/46/70/196274670.db2.gz UHJNYWUAFIHBEE-UHFFFAOYSA-N 1 2 290.323 2.215 20 5 CEBDLO Cc1cc(NC(=O)COc2cccc([N+](=O)[O-])c2)cc[nH+]1 ZINC000073688615 176486072 /nfs/dbraw/zinc/48/60/72/176486072.db2.gz RBRBQKKTNVUUPA-UHFFFAOYSA-N 1 2 287.275 2.316 20 5 CEBDLO C[C@@H]1COC[C@@H](C)[NH+]1CCOc1ccccc1[N+](=O)[O-] ZINC000077369263 177259354 /nfs/dbraw/zinc/25/93/54/177259354.db2.gz DOYDDJXPQVINEC-VXGBXAGGSA-N 1 2 280.324 2.083 20 5 CEBDLO CCn1c[nH+]cc1CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000417801423 226527468 /nfs/dbraw/zinc/52/74/68/226527468.db2.gz WENTXRJTRVCMEK-UHFFFAOYSA-N 1 2 286.335 2.370 20 5 CEBDLO Cc1ccc(Cc2noc(-c3ccc([N+](=O)[O-])n3C)n2)c[nH+]1 ZINC000356108439 228123559 /nfs/dbraw/zinc/12/35/59/228123559.db2.gz IUTVRFMTKGYBKS-UHFFFAOYSA-N 1 2 299.290 2.278 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000366579316 277389764 /nfs/dbraw/zinc/38/97/64/277389764.db2.gz KEAKISSOZOVFDV-KBPBESRZSA-N 1 2 292.335 2.357 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000366579316 277389765 /nfs/dbraw/zinc/38/97/65/277389765.db2.gz KEAKISSOZOVFDV-KBPBESRZSA-N 1 2 292.335 2.357 20 5 CEBDLO COc1ccnc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000424147161 281122442 /nfs/dbraw/zinc/12/24/42/281122442.db2.gz XUXMLLBZXQSJPY-JTQLQIEISA-N 1 2 288.307 2.244 20 5 CEBDLO Cn1c[nH+]cc1COc1ccc([N+](=O)[O-])cc1F ZINC000439549956 281518379 /nfs/dbraw/zinc/51/83/79/281518379.db2.gz LXZWTLRCFINIMH-UHFFFAOYSA-N 1 2 251.217 2.046 20 5 CEBDLO C[C@@H]1COCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000407980267 288334956 /nfs/dbraw/zinc/33/49/56/288334956.db2.gz GOFICTUBOFYNBL-VIFPVBQESA-N 1 2 256.327 2.125 20 5 CEBDLO C[C@@H]1COCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000407980267 288334960 /nfs/dbraw/zinc/33/49/60/288334960.db2.gz GOFICTUBOFYNBL-VIFPVBQESA-N 1 2 256.327 2.125 20 5 CEBDLO Cc1ncc([N+](=O)[O-])n1Cc1c[nH+]cn1Cc1ccccc1 ZINC000445607553 281677309 /nfs/dbraw/zinc/67/73/09/281677309.db2.gz IAIDYUUJYVMIGD-UHFFFAOYSA-N 1 2 297.318 2.393 20 5 CEBDLO C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccn(C)n1 ZINC000459762683 290231729 /nfs/dbraw/zinc/23/17/29/290231729.db2.gz UFPSMHLYSOCJIL-MRVPVSSYSA-N 1 2 266.326 2.241 20 5 CEBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000274421011 290267267 /nfs/dbraw/zinc/26/72/67/290267267.db2.gz OETQTRJQNRXPOP-DOMZBBRYSA-N 1 2 292.335 2.147 20 5 CEBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000274421011 290267271 /nfs/dbraw/zinc/26/72/71/290267271.db2.gz OETQTRJQNRXPOP-DOMZBBRYSA-N 1 2 292.335 2.147 20 5 CEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000531439155 298107243 /nfs/dbraw/zinc/10/72/43/298107243.db2.gz MNYOFKUXDGNNIR-GFCCVEGCSA-N 1 2 287.323 2.060 20 5 CEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000531439155 298107246 /nfs/dbraw/zinc/10/72/46/298107246.db2.gz MNYOFKUXDGNNIR-GFCCVEGCSA-N 1 2 287.323 2.060 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1[C@@H](C)C[C@@H]1C ZINC000548753732 313572313 /nfs/dbraw/zinc/57/23/13/313572313.db2.gz BGGOJTKIERJGPD-UWVGGRQHSA-N 1 2 293.323 2.025 20 5 CEBDLO CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000570336077 314034430 /nfs/dbraw/zinc/03/44/30/314034430.db2.gz SFDWCIZYCMGHNW-ZWNOBZJWSA-N 1 2 282.340 2.187 20 5 CEBDLO Cc1c[nH+]c(C)nc1NCCc1ccccc1[N+](=O)[O-] ZINC000576241120 314256712 /nfs/dbraw/zinc/25/67/12/314256712.db2.gz QXVQMPPAAUFFAF-UHFFFAOYSA-N 1 2 272.308 2.078 20 5 CEBDLO CCCn1ncnc1C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000584509600 329504787 /nfs/dbraw/zinc/50/47/87/329504787.db2.gz GPDCHIUFLKKZQT-NSHDSACASA-N 1 2 289.339 2.447 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@H](C)[C@@H]1C ZINC000156493888 525457885 /nfs/dbraw/zinc/45/78/85/525457885.db2.gz SHICXUWCSXIWAH-WDEREUQCSA-N 1 2 280.324 2.213 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@H](C)[C@@H]1C ZINC000156493888 525457897 /nfs/dbraw/zinc/45/78/97/525457897.db2.gz SHICXUWCSXIWAH-WDEREUQCSA-N 1 2 280.324 2.213 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1N[C@H](C)C[NH+]1CCOCC1 ZINC000049509325 525571365 /nfs/dbraw/zinc/57/13/65/525571365.db2.gz PTMUYFHYUVUQRE-GFCCVEGCSA-N 1 2 279.340 2.036 20 5 CEBDLO CSC[C@H](O)Cn1cc[nH+]c1-c1ccc([N+](=O)[O-])cc1 ZINC000187836876 525705878 /nfs/dbraw/zinc/70/58/78/525705878.db2.gz YACPTMMTYDYFSJ-GFCCVEGCSA-N 1 2 293.348 2.182 20 5 CEBDLO CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000355880879 528997778 /nfs/dbraw/zinc/99/77/78/528997778.db2.gz NTHINNKUACYHBA-LLVKDONJSA-N 1 2 295.339 2.406 20 5 CEBDLO O=[N+]([O-])c1ccc(N2CCc3[nH+]c[nH]c3C2)c(F)c1 ZINC000820581176 634455721 /nfs/dbraw/zinc/45/57/21/634455721.db2.gz OTTMMYPLIGOZLY-UHFFFAOYSA-N 1 2 262.244 2.020 20 5 CEBDLO Cc1nnc([C@H](C)[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)[nH]1 ZINC000894777805 629633035 /nfs/dbraw/zinc/63/30/35/629633035.db2.gz MTBKWUBDIDHIHA-JTQLQIEISA-N 1 2 289.339 2.489 20 5 CEBDLO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1CC(C)(C)OC1=O ZINC000795667710 629648727 /nfs/dbraw/zinc/64/87/27/629648727.db2.gz SJCKYBQWEPKILT-ZDUSSCGKSA-N 1 2 292.335 2.163 20 5 CEBDLO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1CC(C)(C)OC1=O ZINC000795667710 629648729 /nfs/dbraw/zinc/64/87/29/629648729.db2.gz SJCKYBQWEPKILT-ZDUSSCGKSA-N 1 2 292.335 2.163 20 5 CEBDLO CCn1c[nH+]c2c1CCN(c1ccc([N+](=O)[O-])s1)C2 ZINC000896658957 630623504 /nfs/dbraw/zinc/62/35/04/630623504.db2.gz IBYLGTSODVJAGB-UHFFFAOYSA-N 1 2 278.337 2.435 20 5 CEBDLO C[C@H]1C[N@H+](CCNc2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000804402523 631678578 /nfs/dbraw/zinc/67/85/78/631678578.db2.gz IICJXEFVNVYNGP-JTQLQIEISA-N 1 2 299.758 2.381 20 5 CEBDLO C[C@H]1C[N@@H+](CCNc2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000804402523 631678580 /nfs/dbraw/zinc/67/85/80/631678580.db2.gz IICJXEFVNVYNGP-JTQLQIEISA-N 1 2 299.758 2.381 20 5 CEBDLO C[N@H+](Cn1nccc1[N+](=O)[O-])C1CC(OC(C)(C)C)C1 ZINC000817374522 633644491 /nfs/dbraw/zinc/64/44/91/633644491.db2.gz LIVQJFIPULFBOX-UHFFFAOYSA-N 1 2 282.344 2.027 20 5 CEBDLO C[N@@H+](Cn1nccc1[N+](=O)[O-])C1CC(OC(C)(C)C)C1 ZINC000817374522 633644494 /nfs/dbraw/zinc/64/44/94/633644494.db2.gz LIVQJFIPULFBOX-UHFFFAOYSA-N 1 2 282.344 2.027 20 5 CEBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H](F)C1 ZINC000903001503 634932840 /nfs/dbraw/zinc/93/28/40/634932840.db2.gz OBEHWAMFVIZMKO-NSHDSACASA-N 1 2 268.288 2.408 20 5 CEBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H](F)C1 ZINC000903001503 634932842 /nfs/dbraw/zinc/93/28/42/634932842.db2.gz OBEHWAMFVIZMKO-NSHDSACASA-N 1 2 268.288 2.408 20 5 CEBDLO O=[N+]([O-])c1cnn(C[N@@H+]2C[C@@H]3C[C@]3(c3ccccc3)C2)c1 ZINC000905682055 636393084 /nfs/dbraw/zinc/39/30/84/636393084.db2.gz OEHHHOQLTUDUIA-DZGCQCFKSA-N 1 2 284.319 2.022 20 5 CEBDLO O=[N+]([O-])c1cnn(C[N@H+]2C[C@@H]3C[C@]3(c3ccccc3)C2)c1 ZINC000905682055 636393089 /nfs/dbraw/zinc/39/30/89/636393089.db2.gz OEHHHOQLTUDUIA-DZGCQCFKSA-N 1 2 284.319 2.022 20 5 CEBDLO CC(C)(CCC(=O)OCc1cccc2[nH+]ccn21)[N+](=O)[O-] ZINC000835236436 638130203 /nfs/dbraw/zinc/13/02/03/638130203.db2.gz HZFOFQLGORZELZ-UHFFFAOYSA-N 1 2 291.307 2.213 20 5 CEBDLO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844451531 640732735 /nfs/dbraw/zinc/73/27/35/640732735.db2.gz KICJRFUXEBUDSJ-AOOOYVTPSA-N 1 2 272.226 2.431 20 5 CEBDLO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844451531 640732739 /nfs/dbraw/zinc/73/27/39/640732739.db2.gz KICJRFUXEBUDSJ-AOOOYVTPSA-N 1 2 272.226 2.431 20 5 CEBDLO COCC[N@H+](CCF)Cc1ccc([N+](=O)[O-])cc1 ZINC000852483119 643440525 /nfs/dbraw/zinc/44/05/25/643440525.db2.gz BYKQMBGPZJFVAD-UHFFFAOYSA-N 1 2 256.277 2.013 20 5 CEBDLO COCC[N@@H+](CCF)Cc1ccc([N+](=O)[O-])cc1 ZINC000852483119 643440529 /nfs/dbraw/zinc/44/05/29/643440529.db2.gz BYKQMBGPZJFVAD-UHFFFAOYSA-N 1 2 256.277 2.013 20 5 CEBDLO CCn1ncc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000838907197 644064616 /nfs/dbraw/zinc/06/46/16/644064616.db2.gz UAYDLCNVHWTBTB-SNVBAGLBSA-N 1 2 275.312 2.057 20 5 CEBDLO O=C(OCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000763115120 645507068 /nfs/dbraw/zinc/50/70/68/645507068.db2.gz KOSITFJDADNNAJ-UHFFFAOYSA-N 1 2 295.682 2.302 20 5 CEBDLO CCOC(=O)[C@H](C)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000763283917 645527393 /nfs/dbraw/zinc/52/73/93/645527393.db2.gz JACZLEMUDBHNCI-RYUDHWBXSA-N 1 2 294.351 2.457 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H](n3cc[nH+]c3)C2)n1 ZINC000765490719 645776502 /nfs/dbraw/zinc/77/65/02/645776502.db2.gz ORJCENVRBLLSKE-GFCCVEGCSA-N 1 2 287.323 2.336 20 5 CEBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[NH+](C1CC1)C1CC1 ZINC000863304144 646699832 /nfs/dbraw/zinc/69/98/32/646699832.db2.gz PEFULFJRFFEOBD-UHFFFAOYSA-N 1 2 289.291 2.087 20 5 CEBDLO C[C@H]1CCOCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000775570649 646967191 /nfs/dbraw/zinc/96/71/91/646967191.db2.gz RBDWGKXTLSDTQN-JTQLQIEISA-N 1 2 268.288 2.345 20 5 CEBDLO C[C@H]1CCOCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000775570649 646967198 /nfs/dbraw/zinc/96/71/98/646967198.db2.gz RBDWGKXTLSDTQN-JTQLQIEISA-N 1 2 268.288 2.345 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@]12CCC[C@H]1OCC2 ZINC000865858207 647506905 /nfs/dbraw/zinc/50/69/05/647506905.db2.gz FTWQRNPZEMWMJG-KGLIPLIRSA-N 1 2 278.308 2.102 20 5 CEBDLO C[C@H](C[NH+]1CCOCC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000122595790 648459877 /nfs/dbraw/zinc/45/98/77/648459877.db2.gz GVDVHZBASHCBBJ-SNVBAGLBSA-N 1 2 299.758 2.381 20 5 CEBDLO O=[N+]([O-])CC[N@@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000791051568 648476191 /nfs/dbraw/zinc/47/61/91/648476191.db2.gz FFBHYYIYRFTSNR-CQSZACIVSA-N 1 2 282.315 2.083 20 5 CEBDLO O=[N+]([O-])CC[N@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000791051568 648476193 /nfs/dbraw/zinc/47/61/93/648476193.db2.gz FFBHYYIYRFTSNR-CQSZACIVSA-N 1 2 282.315 2.083 20 5 CEBDLO CC(=O)c1c(N[C@@H](C)Cn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000881801471 651887820 /nfs/dbraw/zinc/88/78/20/651887820.db2.gz IUYLEYBLQBDQIY-JTQLQIEISA-N 1 2 288.307 2.495 20 5 CEBDLO CC[C@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC001173209261 815635770 /nfs/dbraw/zinc/63/57/70/815635770.db2.gz AWMKGMGGGVRDKH-MFKMUULPSA-N 1 2 280.324 2.067 20 5 CEBDLO Cn1ncc(C[NH2+]Cc2ccccc2[N+](=O)[O-])c1Cl ZINC000712416672 814743684 /nfs/dbraw/zinc/74/36/84/814743684.db2.gz SIMXJTFOEWOUIK-UHFFFAOYSA-N 1 2 280.715 2.272 20 5 CEBDLO C[NH+](C)Cc1nnc(/C=C\c2ccc([N+](=O)[O-])cc2)o1 ZINC001117229142 814908164 /nfs/dbraw/zinc/90/81/64/814908164.db2.gz PBSSWCCXPJBBNF-YVMONPNESA-N 1 2 274.280 2.210 20 5 CEBDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1Cc2cncnc2C1 ZINC001173224870 815629596 /nfs/dbraw/zinc/62/95/96/815629596.db2.gz HMJYYKABEYEICS-LLVKDONJSA-N 1 2 284.319 2.332 20 5 CEBDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1Cc2cncnc2C1 ZINC001173224870 815629604 /nfs/dbraw/zinc/62/96/04/815629604.db2.gz HMJYYKABEYEICS-LLVKDONJSA-N 1 2 284.319 2.332 20 5 CEBDLO CCC[C@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000449255703 282160222 /nfs/dbraw/zinc/16/02/22/282160222.db2.gz GGFMXUHYLFBBSU-AAEUAGOBSA-N 1 2 294.351 2.457 20 5 CEBDLO Cc1cc(Nc2c([N+](=O)[O-])ncn2C)ccc1[NH+](C)C ZINC000029627340 343401211 /nfs/dbraw/zinc/40/12/11/343401211.db2.gz ODAISBAADFJRJQ-UHFFFAOYSA-N 1 2 275.312 2.446 20 5 CEBDLO Cc1ccc(NC(=O)CCC(C)(C)[N+](=O)[O-])c(C)[nH+]1 ZINC000295010007 199297580 /nfs/dbraw/zinc/29/75/80/199297580.db2.gz QQLCVTXUFCEESZ-UHFFFAOYSA-N 1 2 265.313 2.472 20 5 CEBDLO CNc1ccc(Nc2ncnc3cccc([N+](=O)[O-])c32)c[nH+]1 ZINC000357341305 529835836 /nfs/dbraw/zinc/83/58/36/529835836.db2.gz VNIINGDJYNGMKH-UHFFFAOYSA-N 1 2 296.290 2.140 20 5 CEBDLO COC[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000075767431 343866079 /nfs/dbraw/zinc/86/60/79/343866079.db2.gz WVJYKOWRLXVHAP-RYUDHWBXSA-N 1 2 280.324 2.003 20 5 CEBDLO COC[C@@H]1C[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000075767431 343866081 /nfs/dbraw/zinc/86/60/81/343866081.db2.gz WVJYKOWRLXVHAP-RYUDHWBXSA-N 1 2 280.324 2.003 20 5 CEBDLO C[C@@H](C[NH+]1CCOCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000048336663 362257248 /nfs/dbraw/zinc/25/72/48/362257248.db2.gz YYDXFFWBDCFIAO-JTQLQIEISA-N 1 2 299.758 2.381 20 5 CEBDLO Cc1nc(NCCc2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC000078454532 343953617 /nfs/dbraw/zinc/95/36/17/343953617.db2.gz VARBAOJDYCGPCU-UHFFFAOYSA-N 1 2 258.281 2.348 20 5 CEBDLO CCOC(=O)C[N@H+](CC)Cc1cccc([N+](=O)[O-])c1C ZINC000049947992 362386268 /nfs/dbraw/zinc/38/62/68/362386268.db2.gz FAYBCLKHXYJWRV-UHFFFAOYSA-N 1 2 280.324 2.288 20 5 CEBDLO CCOC(=O)C[N@@H+](CC)Cc1cccc([N+](=O)[O-])c1C ZINC000049947992 362386274 /nfs/dbraw/zinc/38/62/74/362386274.db2.gz FAYBCLKHXYJWRV-UHFFFAOYSA-N 1 2 280.324 2.288 20 5 CEBDLO CC[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1nc(C)cs1 ZINC000602567016 347080592 /nfs/dbraw/zinc/08/05/92/347080592.db2.gz SSJXUJXDRSAFOT-JTQLQIEISA-N 1 2 295.368 2.334 20 5 CEBDLO CC(C)(C[NH+]1CCCC1)NCc1cc(O)ccc1[N+](=O)[O-] ZINC000449770830 282361436 /nfs/dbraw/zinc/36/14/36/282361436.db2.gz JDPKZRMAONSWBL-UHFFFAOYSA-N 1 2 293.367 2.264 20 5 CEBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@H](C)C1 ZINC000054172385 362516341 /nfs/dbraw/zinc/51/63/41/362516341.db2.gz DYZGMRZZVKPJMF-MNOVXSKESA-N 1 2 250.298 2.377 20 5 CEBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@H](C)C1 ZINC000054172385 362516346 /nfs/dbraw/zinc/51/63/46/362516346.db2.gz DYZGMRZZVKPJMF-MNOVXSKESA-N 1 2 250.298 2.377 20 5 CEBDLO COc1ccc([N+](=O)[O-])c(NCCCn2cc[nH+]c2)c1 ZINC000133758452 232213486 /nfs/dbraw/zinc/21/34/86/232213486.db2.gz YWEFBQPVQZITPN-UHFFFAOYSA-N 1 2 276.296 2.302 20 5 CEBDLO COc1cccc([N+](=O)[O-])c1N1CCn2cc(C)[nH+]c2C1 ZINC000594574543 345649766 /nfs/dbraw/zinc/64/97/66/345649766.db2.gz DMMNMIOXLROXGZ-UHFFFAOYSA-N 1 2 288.307 2.129 20 5 CEBDLO CCOc1ccc([N+](=O)[O-])cc1CN(C)Cc1c[nH+]c[nH]1 ZINC000595597504 345821869 /nfs/dbraw/zinc/82/18/69/345821869.db2.gz SGBDCGRRCXCSGF-UHFFFAOYSA-N 1 2 290.323 2.349 20 5 CEBDLO CCOc1ccc([N+](=O)[O-])cc1CN(C)Cc1c[nH]c[nH+]1 ZINC000595597504 345821871 /nfs/dbraw/zinc/82/18/71/345821871.db2.gz SGBDCGRRCXCSGF-UHFFFAOYSA-N 1 2 290.323 2.349 20 5 CEBDLO Cc1noc(C[N@@H+]2CCC(F)(F)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595491797 345795062 /nfs/dbraw/zinc/79/50/62/345795062.db2.gz XXMYIERVVVQLOB-ZETCQYMHSA-N 1 2 275.255 2.368 20 5 CEBDLO Cc1noc(C[N@H+]2CCC(F)(F)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595491797 345795064 /nfs/dbraw/zinc/79/50/64/345795064.db2.gz XXMYIERVVVQLOB-ZETCQYMHSA-N 1 2 275.255 2.368 20 5 CEBDLO C[C@@H]1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1=O ZINC000595711675 345857540 /nfs/dbraw/zinc/85/75/40/345857540.db2.gz CAZVIKBUNWYIBH-GHMZBOCLSA-N 1 2 262.309 2.252 20 5 CEBDLO COC(=O)[C@@](C)(CCF)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000595769149 345871847 /nfs/dbraw/zinc/87/18/47/345871847.db2.gz KJVMWHKQSHYXQO-CQSZACIVSA-N 1 2 298.314 2.018 20 5 CEBDLO CCC[NH+]1CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000596052874 345929085 /nfs/dbraw/zinc/92/90/85/345929085.db2.gz AIIOHWLJASWDAN-UHFFFAOYSA-N 1 2 284.747 2.175 20 5 CEBDLO Cc1cc(N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)c([N+](=O)[O-])s1 ZINC000596113946 345942679 /nfs/dbraw/zinc/94/26/79/345942679.db2.gz FPLGLFBITAEEBA-WDEREUQCSA-N 1 2 299.396 2.486 20 5 CEBDLO Cc1cc(NCc2[nH+]ccn2C)c([N+](=O)[O-])s1 ZINC000596112344 345942870 /nfs/dbraw/zinc/94/28/70/345942870.db2.gz OPFALZGHYHTEKJ-UHFFFAOYSA-N 1 2 252.299 2.310 20 5 CEBDLO CCn1cc[nH+]c1[C@H](C)Nc1c(Cl)cncc1[N+](=O)[O-] ZINC000596256801 345982145 /nfs/dbraw/zinc/98/21/45/345982145.db2.gz GJAOPVJECSQZNQ-QMMMGPOBSA-N 1 2 295.730 2.455 20 5 CEBDLO CCOc1cc(N(C)Cc2c[nH+]c[nH]2)ccc1[N+](=O)[O-] ZINC000596307367 345995517 /nfs/dbraw/zinc/99/55/17/345995517.db2.gz VILWNZMRZWGFPR-UHFFFAOYSA-N 1 2 276.296 2.353 20 5 CEBDLO CCOc1cc(N(C)Cc2c[nH]c[nH+]2)ccc1[N+](=O)[O-] ZINC000596307367 345995518 /nfs/dbraw/zinc/99/55/18/345995518.db2.gz VILWNZMRZWGFPR-UHFFFAOYSA-N 1 2 276.296 2.353 20 5 CEBDLO CC(C)Oc1nc(N(C)Cc2c[nH+]c[nH]2)ccc1[N+](=O)[O-] ZINC000596311818 345996860 /nfs/dbraw/zinc/99/68/60/345996860.db2.gz GWIKTJRYMQKWBB-UHFFFAOYSA-N 1 2 291.311 2.137 20 5 CEBDLO CC(C)Oc1nc(N(C)Cc2c[nH]c[nH+]2)ccc1[N+](=O)[O-] ZINC000596311818 345996864 /nfs/dbraw/zinc/99/68/64/345996864.db2.gz GWIKTJRYMQKWBB-UHFFFAOYSA-N 1 2 291.311 2.137 20 5 CEBDLO O=[N+]([O-])c1cnccc1NCc1ccc[nH+]c1N1CCCC1 ZINC000596355753 346006207 /nfs/dbraw/zinc/00/62/07/346006207.db2.gz JKNSBEIHCMRWDS-UHFFFAOYSA-N 1 2 299.334 2.019 20 5 CEBDLO O=[N+]([O-])c1c(NC[C@@H](O)C2CC2)ccc2c[nH+]ccc21 ZINC000599039567 346450342 /nfs/dbraw/zinc/45/03/42/346450342.db2.gz AGKSUCHDLWJWAJ-CYBMUJFWSA-N 1 2 273.292 2.326 20 5 CEBDLO C[C@@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC[C@@H]1O ZINC000599070666 346456031 /nfs/dbraw/zinc/45/60/31/346456031.db2.gz NCKQJXNZUNZEHE-YGRLFVJLSA-N 1 2 287.319 2.350 20 5 CEBDLO CC[C@H](O)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599080955 346457196 /nfs/dbraw/zinc/45/71/96/346457196.db2.gz LXDMHWHMSKKIPX-JTQLQIEISA-N 1 2 261.281 2.326 20 5 CEBDLO COc1cc(C[N@@H+]2CCO[C@@H](CCF)C2)ccc1[N+](=O)[O-] ZINC000599643353 346552562 /nfs/dbraw/zinc/55/25/62/346552562.db2.gz SSTTYWSUCSYIDB-LBPRGKRZSA-N 1 2 298.314 2.164 20 5 CEBDLO COc1cc(C[N@H+]2CCO[C@@H](CCF)C2)ccc1[N+](=O)[O-] ZINC000599643353 346552564 /nfs/dbraw/zinc/55/25/64/346552564.db2.gz SSTTYWSUCSYIDB-LBPRGKRZSA-N 1 2 298.314 2.164 20 5 CEBDLO COC[C@]1(C)C[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000599692557 346569505 /nfs/dbraw/zinc/56/95/05/346569505.db2.gz JYNWNJVJPZVWQU-WFASDCNBSA-N 1 2 294.351 2.393 20 5 CEBDLO COC[C@]1(C)C[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000599692557 346569508 /nfs/dbraw/zinc/56/95/08/346569508.db2.gz JYNWNJVJPZVWQU-WFASDCNBSA-N 1 2 294.351 2.393 20 5 CEBDLO Cc1ccc(C[N@@H+]2CCO[C@@H](CCF)C2)cc1[N+](=O)[O-] ZINC000600206401 346623026 /nfs/dbraw/zinc/62/30/26/346623026.db2.gz WWNBSNNBWZIJME-ZDUSSCGKSA-N 1 2 282.315 2.464 20 5 CEBDLO Cc1ccc(C[N@H+]2CCO[C@@H](CCF)C2)cc1[N+](=O)[O-] ZINC000600206401 346623027 /nfs/dbraw/zinc/62/30/27/346623027.db2.gz WWNBSNNBWZIJME-ZDUSSCGKSA-N 1 2 282.315 2.464 20 5 CEBDLO O=[N+]([O-])c1ncccc1NCCCNc1cccc[nH+]1 ZINC000603862594 347393485 /nfs/dbraw/zinc/39/34/85/347393485.db2.gz NWCWKBFJMVRGSU-UHFFFAOYSA-N 1 2 273.296 2.299 20 5 CEBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@@H]2CCO)c(F)c1 ZINC000351822974 219215340 /nfs/dbraw/zinc/21/53/40/219215340.db2.gz ZJRDRCKIYVCWTR-SECBINFHSA-N 1 2 286.278 2.220 20 5 CEBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@@H]2CCO)c(F)c1 ZINC000351822974 219215341 /nfs/dbraw/zinc/21/53/41/219215341.db2.gz ZJRDRCKIYVCWTR-SECBINFHSA-N 1 2 286.278 2.220 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]21 ZINC000610762633 347712288 /nfs/dbraw/zinc/71/22/88/347712288.db2.gz IBQHQEMXCWIIKB-FZMZJTMJSA-N 1 2 289.335 2.326 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]21 ZINC000610762633 347712291 /nfs/dbraw/zinc/71/22/91/347712291.db2.gz IBQHQEMXCWIIKB-FZMZJTMJSA-N 1 2 289.335 2.326 20 5 CEBDLO CCO[C@@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000610930459 347723118 /nfs/dbraw/zinc/72/31/18/347723118.db2.gz KMSLKBJTLCDSEQ-CYBMUJFWSA-N 1 2 280.324 2.301 20 5 CEBDLO CCO[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000610930459 347723120 /nfs/dbraw/zinc/72/31/20/347723120.db2.gz KMSLKBJTLCDSEQ-CYBMUJFWSA-N 1 2 280.324 2.301 20 5 CEBDLO O=[N+]([O-])c1ncccc1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000611080171 347737445 /nfs/dbraw/zinc/73/74/45/347737445.db2.gz XEDPKRMUUYPPLC-LLVKDONJSA-N 1 2 285.307 2.076 20 5 CEBDLO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1cn[nH]c1 ZINC000614575150 348217294 /nfs/dbraw/zinc/21/72/94/348217294.db2.gz PYLFDALSOIRVBK-QMMMGPOBSA-N 1 2 287.279 2.310 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000104659688 186011306 /nfs/dbraw/zinc/01/13/06/186011306.db2.gz TXEDNUKKERKFOG-CHWSQXEVSA-N 1 2 293.367 2.424 20 5 CEBDLO CC[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@@H](C)O ZINC000352210298 219363646 /nfs/dbraw/zinc/36/36/46/219363646.db2.gz FUWPCDIOLIPUBY-MRVPVSSYSA-N 1 2 274.267 2.076 20 5 CEBDLO CC[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@@H](C)O ZINC000352210298 219363648 /nfs/dbraw/zinc/36/36/48/219363648.db2.gz FUWPCDIOLIPUBY-MRVPVSSYSA-N 1 2 274.267 2.076 20 5 CEBDLO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000292388424 198269471 /nfs/dbraw/zinc/26/94/71/198269471.db2.gz KFBVFVMJRXWJCV-WPRPVWTQSA-N 1 2 286.278 2.218 20 5 CEBDLO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000292388424 198269472 /nfs/dbraw/zinc/26/94/72/198269472.db2.gz KFBVFVMJRXWJCV-WPRPVWTQSA-N 1 2 286.278 2.218 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC3(CCC3)C2)c(F)c1 ZINC000154209701 188129016 /nfs/dbraw/zinc/12/90/16/188129016.db2.gz CHAOYQARVXTEPA-UHFFFAOYSA-N 1 2 280.299 2.489 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCOC3(CCC3)C2)c(F)c1 ZINC000154209701 188129018 /nfs/dbraw/zinc/12/90/18/188129018.db2.gz CHAOYQARVXTEPA-UHFFFAOYSA-N 1 2 280.299 2.489 20 5 CEBDLO CCn1cnnc1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000158401228 188374206 /nfs/dbraw/zinc/37/42/06/188374206.db2.gz UKBJWLCNFXJFMQ-NSHDSACASA-N 1 2 289.339 2.365 20 5 CEBDLO CCn1cnnc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000158466627 188377714 /nfs/dbraw/zinc/37/77/14/188377714.db2.gz VFAMXVPGKVDMKR-SNVBAGLBSA-N 1 2 275.312 2.057 20 5 CEBDLO COc1ccncc1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000292723817 198390180 /nfs/dbraw/zinc/39/01/80/198390180.db2.gz POIDYVVKUKOWGI-UHFFFAOYSA-N 1 2 279.321 2.350 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(N(C)CCCn2cc[nH+]c2)n1 ZINC000133018552 366188763 /nfs/dbraw/zinc/18/87/63/366188763.db2.gz PUCPCBCJEGSVAT-UHFFFAOYSA-N 1 2 275.312 2.021 20 5 CEBDLO Cc1[nH]ncc1C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294922752 199251545 /nfs/dbraw/zinc/25/15/45/199251545.db2.gz XDGQIALJKSIJEZ-MRVPVSSYSA-N 1 2 275.312 2.059 20 5 CEBDLO C[C@@H](Cn1cc[nH+]c1)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000148494592 366583614 /nfs/dbraw/zinc/58/36/14/366583614.db2.gz GXBIWNKBRNPBSE-QMMMGPOBSA-N 1 2 281.703 2.340 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1CN1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000339064308 366636174 /nfs/dbraw/zinc/63/61/74/366636174.db2.gz DZIGOOGEVSITND-CYBMUJFWSA-N 1 2 288.307 2.361 20 5 CEBDLO CCC(C)(C)NC(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026348064 361638804 /nfs/dbraw/zinc/63/88/04/361638804.db2.gz JNRPUIGSZNIQJX-UHFFFAOYSA-N 1 2 293.367 2.331 20 5 CEBDLO CCC(C)(C)NC(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026348064 361638805 /nfs/dbraw/zinc/63/88/05/361638805.db2.gz JNRPUIGSZNIQJX-UHFFFAOYSA-N 1 2 293.367 2.331 20 5 CEBDLO Cc1ccc(SC[C@@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000582962957 366981857 /nfs/dbraw/zinc/98/18/57/366981857.db2.gz YXDNHRKDDADDHT-NSHDSACASA-N 1 2 282.365 2.326 20 5 CEBDLO Cc1ccc(SC[C@@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000582962957 366981859 /nfs/dbraw/zinc/98/18/59/366981859.db2.gz YXDNHRKDDADDHT-NSHDSACASA-N 1 2 282.365 2.326 20 5 CEBDLO Cn1cnc([N+](=O)[O-])c1NCc1ccccc1-n1cc[nH+]c1 ZINC000340744040 367010053 /nfs/dbraw/zinc/01/00/53/367010053.db2.gz NDAYHTCNDSEQMG-UHFFFAOYSA-N 1 2 298.306 2.126 20 5 CEBDLO O=[N+]([O-])c1ccc(N2CCC(n3cc[nH+]c3)CC2)cn1 ZINC000344436737 368124001 /nfs/dbraw/zinc/12/40/01/368124001.db2.gz QDICNJYKPHNLGI-UHFFFAOYSA-N 1 2 273.296 2.028 20 5 CEBDLO O=[N+]([O-])c1cn(Cc2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000187853578 369236263 /nfs/dbraw/zinc/23/62/63/369236263.db2.gz YGNIAZBUMDCSOY-UHFFFAOYSA-N 1 2 269.264 2.025 20 5 CEBDLO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[NH+](C2CC2)CC1 ZINC000360950215 371558087 /nfs/dbraw/zinc/55/80/87/371558087.db2.gz ZROMGJXGBDLQMC-UHFFFAOYSA-N 1 2 289.335 2.082 20 5 CEBDLO O=[N+]([O-])c1ccc(CNc2cc[nH+]cc2F)c(F)c1 ZINC000362801986 372528276 /nfs/dbraw/zinc/52/82/76/372528276.db2.gz QCKXWUHLHOJUAQ-UHFFFAOYSA-N 1 2 265.219 2.302 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCN(c3cccc[nH+]3)C2)n1 ZINC000269894562 372591920 /nfs/dbraw/zinc/59/19/20/372591920.db2.gz XIHOERCJMUSBMQ-GFCCVEGCSA-N 1 2 299.334 2.384 20 5 CEBDLO COCc1cc([N+](=O)[O-])ccc1N(C)Cc1[nH+]ccn1C ZINC000270986744 373050044 /nfs/dbraw/zinc/05/00/44/373050044.db2.gz WJDMZOZJHRKTHK-UHFFFAOYSA-N 1 2 290.323 2.111 20 5 CEBDLO NC(=O)C[N@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000353608985 220188311 /nfs/dbraw/zinc/18/83/11/220188311.db2.gz SSWNOGLDUJIJGG-UHFFFAOYSA-N 1 2 299.330 2.082 20 5 CEBDLO NC(=O)C[N@@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000353608985 220188314 /nfs/dbraw/zinc/18/83/14/220188314.db2.gz SSWNOGLDUJIJGG-UHFFFAOYSA-N 1 2 299.330 2.082 20 5 CEBDLO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H]2c2ncon2)cc1 ZINC000377490306 374864172 /nfs/dbraw/zinc/86/41/72/374864172.db2.gz BWBINLJHYFDKHG-CYBMUJFWSA-N 1 2 288.307 2.357 20 5 CEBDLO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H]2c2ncon2)cc1 ZINC000377490306 374864178 /nfs/dbraw/zinc/86/41/78/374864178.db2.gz BWBINLJHYFDKHG-CYBMUJFWSA-N 1 2 288.307 2.357 20 5 CEBDLO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330444423 377135129 /nfs/dbraw/zinc/13/51/29/377135129.db2.gz CFWASKKAZJSOFM-UEKVPHQBSA-N 1 2 294.351 2.282 20 5 CEBDLO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330444423 377135134 /nfs/dbraw/zinc/13/51/34/377135134.db2.gz CFWASKKAZJSOFM-UEKVPHQBSA-N 1 2 294.351 2.282 20 5 CEBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@@H]1CCCOC1 ZINC000330446596 377137480 /nfs/dbraw/zinc/13/74/80/377137480.db2.gz XYEBRGZQPZBPOV-NSHDSACASA-N 1 2 280.324 2.159 20 5 CEBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@@H]1CCCOC1 ZINC000330446596 377137485 /nfs/dbraw/zinc/13/74/85/377137485.db2.gz XYEBRGZQPZBPOV-NSHDSACASA-N 1 2 280.324 2.159 20 5 CEBDLO CC[N@@H+]1C[C@@H](C)N(Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000330452325 377138974 /nfs/dbraw/zinc/13/89/74/377138974.db2.gz KSYZWENKGJKWGL-NWDGAFQWSA-N 1 2 293.367 2.215 20 5 CEBDLO CC[N@H+]1C[C@@H](C)N(Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000330452325 377138983 /nfs/dbraw/zinc/13/89/83/377138983.db2.gz KSYZWENKGJKWGL-NWDGAFQWSA-N 1 2 293.367 2.215 20 5 CEBDLO CC[N@@H+]1C[C@H](C)N(Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000330452326 377139293 /nfs/dbraw/zinc/13/92/93/377139293.db2.gz KSYZWENKGJKWGL-RYUDHWBXSA-N 1 2 293.367 2.215 20 5 CEBDLO CC[N@H+]1C[C@H](C)N(Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000330452326 377139301 /nfs/dbraw/zinc/13/93/01/377139301.db2.gz KSYZWENKGJKWGL-RYUDHWBXSA-N 1 2 293.367 2.215 20 5 CEBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@H]1CCCC[C@@H]1O ZINC000330461091 377144196 /nfs/dbraw/zinc/14/41/96/377144196.db2.gz WOALZPZVTNPINM-ABAIWWIYSA-N 1 2 294.351 2.283 20 5 CEBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@H]1CCCC[C@@H]1O ZINC000330461091 377144201 /nfs/dbraw/zinc/14/42/01/377144201.db2.gz WOALZPZVTNPINM-ABAIWWIYSA-N 1 2 294.351 2.283 20 5 CEBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCO[C@]3(CCSC3)C2)c1 ZINC000564919776 377506923 /nfs/dbraw/zinc/50/69/23/377506923.db2.gz POHIJWRVVKOASN-CQSZACIVSA-N 1 2 294.376 2.303 20 5 CEBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCO[C@]3(CCSC3)C2)c1 ZINC000564919776 377506927 /nfs/dbraw/zinc/50/69/27/377506927.db2.gz POHIJWRVVKOASN-CQSZACIVSA-N 1 2 294.376 2.303 20 5 CEBDLO Cc1ccc(NCCc2cn(C)c[nH+]2)c([N+](=O)[O-])c1 ZINC000313486083 249396160 /nfs/dbraw/zinc/39/61/60/249396160.db2.gz PTJMAMDDQVICTA-UHFFFAOYSA-N 1 2 260.297 2.291 20 5 CEBDLO CC(C)(C)OCC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332665340 377658102 /nfs/dbraw/zinc/65/81/02/377658102.db2.gz CPQJQVACEDKKPU-UHFFFAOYSA-N 1 2 279.340 2.163 20 5 CEBDLO CC(C)(C)OCC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332665340 377658106 /nfs/dbraw/zinc/65/81/06/377658106.db2.gz CPQJQVACEDKKPU-UHFFFAOYSA-N 1 2 279.340 2.163 20 5 CEBDLO CC(C)COCC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332731302 377686236 /nfs/dbraw/zinc/68/62/36/377686236.db2.gz VTCXJZFSPYERHW-UHFFFAOYSA-N 1 2 279.340 2.021 20 5 CEBDLO CC(C)COCC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332731302 377686242 /nfs/dbraw/zinc/68/62/42/377686242.db2.gz VTCXJZFSPYERHW-UHFFFAOYSA-N 1 2 279.340 2.021 20 5 CEBDLO Cc1cn2c([nH+]1)CN(c1ccccc1[N+](=O)[O-])CC2 ZINC000374708991 292853462 /nfs/dbraw/zinc/85/34/62/292853462.db2.gz DZTHWGTUAQJQPD-UHFFFAOYSA-N 1 2 258.281 2.120 20 5 CEBDLO Cc1cc(N[C@@H](C)CO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000267167684 190308363 /nfs/dbraw/zinc/30/83/63/190308363.db2.gz HKKHGWCORRZDBS-JTQLQIEISA-N 1 2 288.307 2.153 20 5 CEBDLO Cc1[nH]c(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c[nH+]1 ZINC000267734459 190351435 /nfs/dbraw/zinc/35/14/35/190351435.db2.gz ALVQDJBCQLMCIL-SECBINFHSA-N 1 2 288.307 2.426 20 5 CEBDLO CCCn1ncnc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000279046713 194262346 /nfs/dbraw/zinc/26/23/46/194262346.db2.gz GRQKPGLRJDCTKN-NSHDSACASA-N 1 2 289.339 2.447 20 5 CEBDLO Cc1c(NC(=O)C=Cc2c[nH]c[nH+]2)cccc1[N+](=O)[O-] ZINC000492901450 380723662 /nfs/dbraw/zinc/72/36/62/380723662.db2.gz PHOHJQFCKMKAIT-WAYWQWQTSA-N 1 2 272.264 2.278 20 5 CEBDLO C[C@H](Nc1c(F)cccc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000287833342 196951320 /nfs/dbraw/zinc/95/13/20/196951320.db2.gz KUNYCZUHHWDQCE-QWRGUYRKSA-N 1 2 297.330 2.255 20 5 CEBDLO C[C@H](CO)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413075963 394479046 /nfs/dbraw/zinc/47/90/46/394479046.db2.gz SOYZVZXONGOPQG-VIFPVBQESA-N 1 2 261.281 2.183 20 5 CEBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000364399676 394897485 /nfs/dbraw/zinc/89/74/85/394897485.db2.gz KOJRBPQDJANFGQ-AWEZNQCLSA-N 1 2 262.309 2.206 20 5 CEBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000364399676 394897488 /nfs/dbraw/zinc/89/74/88/394897488.db2.gz KOJRBPQDJANFGQ-AWEZNQCLSA-N 1 2 262.309 2.206 20 5 CEBDLO O=C(C[C@@H]1CCC[NH2+]CC1)Nc1cc([N+](=O)[O-])ccc1O ZINC000423735161 394972286 /nfs/dbraw/zinc/97/22/86/394972286.db2.gz RQPHGFGXLFPZTP-SNVBAGLBSA-N 1 2 293.323 2.019 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC=C(C)C1 ZINC000436259592 395102357 /nfs/dbraw/zinc/10/23/57/395102357.db2.gz FVSJHIXFJKPDLL-UHFFFAOYSA-N 1 2 289.335 2.494 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC=C(C)C1 ZINC000436259592 395102360 /nfs/dbraw/zinc/10/23/60/395102360.db2.gz FVSJHIXFJKPDLL-UHFFFAOYSA-N 1 2 289.335 2.494 20 5 CEBDLO CC[C@H]1C[C@@H]([NH+]=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)CCO1 ZINC000420629325 395392850 /nfs/dbraw/zinc/39/28/50/395392850.db2.gz GNFWMWBYBISMBG-ONGXEEELSA-N 1 2 290.323 2.263 20 5 CEBDLO C[C@H]([NH2+]Cc1ncccn1)c1cccc([N+](=O)[O-])c1 ZINC000192152498 153204884 /nfs/dbraw/zinc/20/48/84/153204884.db2.gz CBTYGIDOYTWHDK-JTQLQIEISA-N 1 2 258.281 2.236 20 5 CEBDLO CC(=O)c1ccc([N+](=O)[O-])cc1N(C)Cc1[nH+]ccn1C ZINC000360881132 155394712 /nfs/dbraw/zinc/39/47/12/155394712.db2.gz LSMUIXOPDVXWKV-UHFFFAOYSA-N 1 2 288.307 2.167 20 5 CEBDLO COc1cc(C[N@@H+]2CCOC[C@@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000352777596 154334519 /nfs/dbraw/zinc/33/45/19/154334519.db2.gz HNJDINROLYPBDX-CQSZACIVSA-N 1 2 292.335 2.214 20 5 CEBDLO COc1cc(C[N@H+]2CCOC[C@@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000352777596 154334524 /nfs/dbraw/zinc/33/45/24/154334524.db2.gz HNJDINROLYPBDX-CQSZACIVSA-N 1 2 292.335 2.214 20 5 CEBDLO Cc1cn2c([nH+]1)CN(Cc1ccc([N+](=O)[O-])c(F)c1)CC2 ZINC000368476071 156348611 /nfs/dbraw/zinc/34/86/11/156348611.db2.gz AXDLJLGVEMQHLS-UHFFFAOYSA-N 1 2 290.298 2.255 20 5 CEBDLO Cn1cc[nH+]c1CNc1cccc(F)c1[N+](=O)[O-] ZINC000071274412 176106259 /nfs/dbraw/zinc/10/62/59/176106259.db2.gz YVZPBUKNWHPJBE-UHFFFAOYSA-N 1 2 250.233 2.080 20 5 CEBDLO O=[N+]([O-])c1cnn(Cc2[nH+]ccn2-c2ccccc2)c1 ZINC000429261021 271316377 /nfs/dbraw/zinc/31/63/77/271316377.db2.gz OLAVOHWTDHURFI-UHFFFAOYSA-N 1 2 269.264 2.025 20 5 CEBDLO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(F)cccc1[N+](=O)[O-] ZINC000429677003 271340763 /nfs/dbraw/zinc/34/07/63/271340763.db2.gz UNJPBKCTZDHBDZ-AOOOYVTPSA-N 1 2 278.283 2.430 20 5 CEBDLO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(F)cccc1[N+](=O)[O-] ZINC000429677003 271340766 /nfs/dbraw/zinc/34/07/66/271340766.db2.gz UNJPBKCTZDHBDZ-AOOOYVTPSA-N 1 2 278.283 2.430 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@@H](C)[C@H]1C ZINC000430217960 271363268 /nfs/dbraw/zinc/36/32/68/271363268.db2.gz MHQRSKWVTZIGKM-MNOVXSKESA-N 1 2 280.324 2.213 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@@H](C)[C@H]1C ZINC000430217960 271363270 /nfs/dbraw/zinc/36/32/70/271363270.db2.gz MHQRSKWVTZIGKM-MNOVXSKESA-N 1 2 280.324 2.213 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1ccon1 ZINC000430219589 271363378 /nfs/dbraw/zinc/36/33/78/271363378.db2.gz ADQXJIWACNOZMD-VIFPVBQESA-N 1 2 277.280 2.442 20 5 CEBDLO Cc1c(C(=O)Nc2cc[nH+]cc2O)cccc1[N+](=O)[O-] ZINC000135403988 280045322 /nfs/dbraw/zinc/04/53/22/280045322.db2.gz ZSLHWJXSFXRGEE-UHFFFAOYSA-N 1 2 273.248 2.256 20 5 CEBDLO CCn1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])n1 ZINC000414477257 281635991 /nfs/dbraw/zinc/63/59/91/281635991.db2.gz CJOQLNRUMSENCZ-UHFFFAOYSA-N 1 2 260.297 2.101 20 5 CEBDLO O=[N+]([O-])c1ccc(C[NH+]2CC(CCO)C2)c(Cl)c1 ZINC000459593343 290189773 /nfs/dbraw/zinc/18/97/73/290189773.db2.gz OKTDCYIDUSDPSD-UHFFFAOYSA-N 1 2 270.716 2.062 20 5 CEBDLO O=c1c2ccccc2n(CCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000487901448 290366361 /nfs/dbraw/zinc/36/63/61/290366361.db2.gz XWDBZACKWAPRRV-UHFFFAOYSA-N 1 2 298.302 2.197 20 5 CEBDLO C[C@]1([NH3+])CCCC[C@H]1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000576940865 314325293 /nfs/dbraw/zinc/32/52/93/314325293.db2.gz HGXHHXUJTRIDIG-HZMBPMFUSA-N 1 2 293.323 2.147 20 5 CEBDLO O=[N+]([O-])c1ccc2c(c1)CN(c1cccc[nH+]1)CCO2 ZINC000357790767 534883456 /nfs/dbraw/zinc/88/34/56/534883456.db2.gz YRQJFYGVZNCVKB-UHFFFAOYSA-N 1 2 271.276 2.389 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc[nH+]cc1 ZINC000068038797 526088292 /nfs/dbraw/zinc/08/82/92/526088292.db2.gz KEYCWEPVBVOULY-UHFFFAOYSA-N 1 2 293.304 2.099 20 5 CEBDLO O=[N+]([O-])c1ccc(Cl)cc1CN1CCn2c[nH+]cc2C1 ZINC000291474625 527355388 /nfs/dbraw/zinc/35/53/88/527355388.db2.gz FEIGJCDDMYQVNT-UHFFFAOYSA-N 1 2 292.726 2.461 20 5 CEBDLO CCn1ccc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000414482003 529170953 /nfs/dbraw/zinc/17/09/53/529170953.db2.gz MDEUSRQBLMBWBD-UHFFFAOYSA-N 1 2 274.324 2.409 20 5 CEBDLO CCn1c[nH+]c2c1CCN(c1ccccc1[N+](=O)[O-])C2 ZINC000896661708 630628328 /nfs/dbraw/zinc/62/83/28/630628328.db2.gz UVVUPZWFRXMFDX-UHFFFAOYSA-N 1 2 272.308 2.374 20 5 CEBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000898187504 632101148 /nfs/dbraw/zinc/10/11/48/632101148.db2.gz KIKFQOVHHCLDGU-GYZFRLQBSA-N 1 2 294.326 2.403 20 5 CEBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000898187504 632101153 /nfs/dbraw/zinc/10/11/53/632101153.db2.gz KIKFQOVHHCLDGU-GYZFRLQBSA-N 1 2 294.326 2.403 20 5 CEBDLO CC[C@@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)OC ZINC000901641942 634223560 /nfs/dbraw/zinc/22/35/60/634223560.db2.gz FXQLNPCOWSTTSL-ZYHUDNBSSA-N 1 2 280.324 2.240 20 5 CEBDLO CCc1nc(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)co1 ZINC000825050440 635550133 /nfs/dbraw/zinc/55/01/33/635550133.db2.gz MRGTZGWENZAMLS-UHFFFAOYSA-N 1 2 291.307 2.444 20 5 CEBDLO COCC[N@H+](CCF)Cc1ccc([N+](=O)[O-])cc1C ZINC000827054917 636200185 /nfs/dbraw/zinc/20/01/85/636200185.db2.gz ZLRBFAJSZDCYBK-UHFFFAOYSA-N 1 2 270.304 2.321 20 5 CEBDLO COCC[N@@H+](CCF)Cc1ccc([N+](=O)[O-])cc1C ZINC000827054917 636200190 /nfs/dbraw/zinc/20/01/90/636200190.db2.gz ZLRBFAJSZDCYBK-UHFFFAOYSA-N 1 2 270.304 2.321 20 5 CEBDLO Cc1ccc([C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000829719493 636915760 /nfs/dbraw/zinc/91/57/60/636915760.db2.gz LTOIHUTZUSPSDQ-SNVBAGLBSA-N 1 2 288.307 2.046 20 5 CEBDLO O=[N+]([O-])CC[N@@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000929632309 640002424 /nfs/dbraw/zinc/00/24/24/640002424.db2.gz MWUJMZMQBLEAMQ-GFCCVEGCSA-N 1 2 256.252 2.378 20 5 CEBDLO O=[N+]([O-])CC[N@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000929632309 640002428 /nfs/dbraw/zinc/00/24/28/640002428.db2.gz MWUJMZMQBLEAMQ-GFCCVEGCSA-N 1 2 256.252 2.378 20 5 CEBDLO CC[C@@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000844390621 640704966 /nfs/dbraw/zinc/70/49/66/640704966.db2.gz IYLOPICQNDGWHB-KCPJHIHWSA-N 1 2 294.351 2.128 20 5 CEBDLO CC[C@@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000844390621 640704975 /nfs/dbraw/zinc/70/49/75/640704975.db2.gz IYLOPICQNDGWHB-KCPJHIHWSA-N 1 2 294.351 2.128 20 5 CEBDLO CC[C@@H]([NH2+]Cc1cnon1)c1cccc([N+](=O)[O-])c1 ZINC000851905309 643217965 /nfs/dbraw/zinc/21/79/65/643217965.db2.gz CQZMIKJCPUDAHD-GFCCVEGCSA-N 1 2 262.269 2.219 20 5 CEBDLO Cn1nc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1C1CC1 ZINC000922955566 643477813 /nfs/dbraw/zinc/47/78/13/643477813.db2.gz SJTNZBYMWGVGEF-UHFFFAOYSA-N 1 2 286.335 2.496 20 5 CEBDLO C[NH+](C)Cc1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccc1Cl ZINC000839752747 644805948 /nfs/dbraw/zinc/80/59/48/644805948.db2.gz IJWDVHCNZNHILO-ZYHUDNBSSA-N 1 2 297.742 2.005 20 5 CEBDLO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1nncn1C ZINC000761520225 645293232 /nfs/dbraw/zinc/29/32/32/645293232.db2.gz MRPNTXDZNHTRMM-QMMMGPOBSA-N 1 2 295.730 2.228 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(C(=O)OCc2cc[nH+]c(N)c2)c1 ZINC000791963966 648590690 /nfs/dbraw/zinc/59/06/90/648590690.db2.gz MKSRRZQRAKHJNO-UHFFFAOYSA-N 1 2 287.275 2.237 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)OCCn1cc[nH+]c1 ZINC000873437953 649677654 /nfs/dbraw/zinc/67/76/54/649677654.db2.gz BDKBBPHSPGIVBW-UHFFFAOYSA-N 1 2 289.291 2.265 20 5 CEBDLO CC(C)OC1C[NH+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000895954807 805851397 /nfs/dbraw/zinc/85/13/97/805851397.db2.gz HKHAIPMWIAZTNK-UHFFFAOYSA-N 1 2 264.325 2.247 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)cc1 ZINC000054344421 343588678 /nfs/dbraw/zinc/58/86/78/343588678.db2.gz YFAMDEJIHNFSJQ-UONOGXRCSA-N 1 2 262.309 2.348 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)cc1 ZINC000054344421 343588680 /nfs/dbraw/zinc/58/86/80/343588680.db2.gz YFAMDEJIHNFSJQ-UONOGXRCSA-N 1 2 262.309 2.348 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC12CCC2 ZINC000081563154 344057899 /nfs/dbraw/zinc/05/78/99/344057899.db2.gz QLSXBRKIAJHZOM-UHFFFAOYSA-N 1 2 289.335 2.470 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC12CCC2 ZINC000081563154 344057901 /nfs/dbraw/zinc/05/79/01/344057901.db2.gz QLSXBRKIAJHZOM-UHFFFAOYSA-N 1 2 289.335 2.470 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000091978624 344174732 /nfs/dbraw/zinc/17/47/32/344174732.db2.gz NMDOZKDVFYKFCM-GJZGRUSLSA-N 1 2 292.335 2.444 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000091978624 344174733 /nfs/dbraw/zinc/17/47/33/344174733.db2.gz NMDOZKDVFYKFCM-GJZGRUSLSA-N 1 2 292.335 2.444 20 5 CEBDLO CC[C@H](O)[C@H]1CCCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093321576 344219914 /nfs/dbraw/zinc/21/99/14/344219914.db2.gz ZIDPNTYQJQQZGX-CABCVRRESA-N 1 2 294.351 2.426 20 5 CEBDLO CC[C@H](O)[C@H]1CCCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093321576 344219916 /nfs/dbraw/zinc/21/99/16/344219916.db2.gz ZIDPNTYQJQQZGX-CABCVRRESA-N 1 2 294.351 2.426 20 5 CEBDLO CC(C)[N@H+](Cc1cn(C)nc1[N+](=O)[O-])Cc1ccccn1 ZINC000602449171 347037157 /nfs/dbraw/zinc/03/71/57/347037157.db2.gz ONYQSBHUAUODQZ-UHFFFAOYSA-N 1 2 289.339 2.134 20 5 CEBDLO CC(C)[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])Cc1ccccn1 ZINC000602449171 347037159 /nfs/dbraw/zinc/03/71/59/347037159.db2.gz ONYQSBHUAUODQZ-UHFFFAOYSA-N 1 2 289.339 2.134 20 5 CEBDLO CCOC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000050064324 362395704 /nfs/dbraw/zinc/39/57/04/362395704.db2.gz DKNCXDDNEXBBHF-ZDUSSCGKSA-N 1 2 278.308 2.122 20 5 CEBDLO CCOC(=O)[C@@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000050064324 362395706 /nfs/dbraw/zinc/39/57/06/362395706.db2.gz DKNCXDDNEXBBHF-ZDUSSCGKSA-N 1 2 278.308 2.122 20 5 CEBDLO Cc1cc(-n2c[nH+]c(CCCO)c2)c(F)cc1[N+](=O)[O-] ZINC000589686786 345093730 /nfs/dbraw/zinc/09/37/30/345093730.db2.gz KVYZJUAOJLCNRK-UHFFFAOYSA-N 1 2 279.271 2.153 20 5 CEBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCc2[nH+]c[nH]c2C1 ZINC000590598810 345149645 /nfs/dbraw/zinc/14/96/45/345149645.db2.gz BMOFNCSIDDTUON-JTQLQIEISA-N 1 2 272.308 2.437 20 5 CEBDLO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCn2c[nH+]cc2C1 ZINC000590600477 345150273 /nfs/dbraw/zinc/15/02/73/345150273.db2.gz YLWMLSLXHOSDKK-NSHDSACASA-N 1 2 272.308 2.368 20 5 CEBDLO O=[N+]([O-])c1cnc(N2CCC[C@@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000591144992 345224453 /nfs/dbraw/zinc/22/44/53/345224453.db2.gz GANOZXZLZMQZRD-SNVBAGLBSA-N 1 2 291.286 2.167 20 5 CEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N[C@@H](CO)CCF)c2c1 ZINC000593508572 345500841 /nfs/dbraw/zinc/50/08/41/345500841.db2.gz HWISJXYMLLZPEA-SNVBAGLBSA-N 1 2 279.271 2.275 20 5 CEBDLO Cc1c[nH+]c(CCNc2ccc([N+](=O)[O-])cn2)c(C)c1 ZINC000594596194 345654957 /nfs/dbraw/zinc/65/49/57/345654957.db2.gz PPRWPYKGTRMWOE-UHFFFAOYSA-N 1 2 272.308 2.078 20 5 CEBDLO Cc1noc(C[NH2+][C@@H](CO)c2ccccc2C)c1[N+](=O)[O-] ZINC000595429709 345780514 /nfs/dbraw/zinc/78/05/14/345780514.db2.gz IYDWWIZSNDDQSA-LBPRGKRZSA-N 1 2 291.307 2.023 20 5 CEBDLO CO[C@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599056825 346453742 /nfs/dbraw/zinc/45/37/42/346453742.db2.gz VTYLBJJLMUSTIK-NSHDSACASA-N 1 2 273.292 2.368 20 5 CEBDLO C[C@]1(O)CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599066673 346455105 /nfs/dbraw/zinc/45/51/05/346455105.db2.gz WXDDTEMNIKKQKA-HNNXBMFYSA-N 1 2 287.319 2.494 20 5 CEBDLO Cc1[nH]c(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c[nH+]1 ZINC000339224685 215024048 /nfs/dbraw/zinc/02/40/48/215024048.db2.gz CKMRQWNNZQXMRZ-QMMMGPOBSA-N 1 2 274.280 2.117 20 5 CEBDLO CCn1c(C)nc([N+](=O)[O-])c1Nc1c[nH+]cc(N(C)C)c1 ZINC000601214482 346791258 /nfs/dbraw/zinc/79/12/58/346791258.db2.gz WXVMVZDYKAXGAM-UHFFFAOYSA-N 1 2 290.327 2.324 20 5 CEBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3C[C@@H]4C[C@H]3CS4)nc2c1 ZINC000602686834 347146510 /nfs/dbraw/zinc/14/65/10/347146510.db2.gz FVCDSVHKGBHYIN-UWVGGRQHSA-N 1 2 291.332 2.426 20 5 CEBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3C[C@@H]4C[C@H]3CS4)nc2c1 ZINC000602686834 347146512 /nfs/dbraw/zinc/14/65/12/347146512.db2.gz FVCDSVHKGBHYIN-UWVGGRQHSA-N 1 2 291.332 2.426 20 5 CEBDLO Cc1[nH]ncc1C[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000602941050 347252908 /nfs/dbraw/zinc/25/29/08/347252908.db2.gz ZWASYOOOCXSGND-UHFFFAOYSA-N 1 2 274.324 2.301 20 5 CEBDLO Cc1[nH]ncc1C[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000602941050 347252910 /nfs/dbraw/zinc/25/29/10/347252910.db2.gz ZWASYOOOCXSGND-UHFFFAOYSA-N 1 2 274.324 2.301 20 5 CEBDLO O=C(Nc1cnoc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000604542200 347420944 /nfs/dbraw/zinc/42/09/44/347420944.db2.gz FSUQLWNNYVQUNS-UHFFFAOYSA-N 1 2 299.246 2.021 20 5 CEBDLO O=C(Nc1ccc2[nH+]ccn2c1)c1ccc([N+](=O)[O-])cc1 ZINC000609618988 347647360 /nfs/dbraw/zinc/64/73/60/347647360.db2.gz WPUJSQRHBUSAHM-UHFFFAOYSA-N 1 2 282.259 2.495 20 5 CEBDLO O=C(C[N@@H+]1C[C@H]2CCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000610585473 347694199 /nfs/dbraw/zinc/69/41/99/347694199.db2.gz PNTSSCONHJKPIG-PWSUYJOCSA-N 1 2 275.308 2.018 20 5 CEBDLO O=C(C[N@H+]1C[C@H]2CCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000610585473 347694201 /nfs/dbraw/zinc/69/42/01/347694201.db2.gz PNTSSCONHJKPIG-PWSUYJOCSA-N 1 2 275.308 2.018 20 5 CEBDLO C[C@@H]1CCN(c2cccnc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000610726490 347707131 /nfs/dbraw/zinc/70/71/31/347707131.db2.gz XTDHZXXQLZMIFW-DGCLKSJQSA-N 1 2 287.323 2.274 20 5 CEBDLO CCOc1cc(-n2c[nH+]c(CCCO)c2)ccc1[N+](=O)[O-] ZINC000611297222 347764316 /nfs/dbraw/zinc/76/43/16/347764316.db2.gz QSCZNBQKHYVLCL-UHFFFAOYSA-N 1 2 291.307 2.104 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC=CCC1 ZINC000611517335 347789143 /nfs/dbraw/zinc/78/91/43/347789143.db2.gz RGQWZPBBNCONBS-UHFFFAOYSA-N 1 2 275.308 2.104 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC=CCC1 ZINC000611517335 347789144 /nfs/dbraw/zinc/78/91/44/347789144.db2.gz RGQWZPBBNCONBS-UHFFFAOYSA-N 1 2 275.308 2.104 20 5 CEBDLO C[C@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1F ZINC000611521516 347790638 /nfs/dbraw/zinc/79/06/38/347790638.db2.gz NZPQLTHCMAIRNA-CABZTGNLSA-N 1 2 268.288 2.480 20 5 CEBDLO C[C@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1F ZINC000611521516 347790639 /nfs/dbraw/zinc/79/06/39/347790639.db2.gz NZPQLTHCMAIRNA-CABZTGNLSA-N 1 2 268.288 2.480 20 5 CEBDLO C[C@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1F ZINC000611521517 347790680 /nfs/dbraw/zinc/79/06/80/347790680.db2.gz NZPQLTHCMAIRNA-JOYOIKCWSA-N 1 2 268.288 2.480 20 5 CEBDLO C[C@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1F ZINC000611521517 347790683 /nfs/dbraw/zinc/79/06/83/347790683.db2.gz NZPQLTHCMAIRNA-JOYOIKCWSA-N 1 2 268.288 2.480 20 5 CEBDLO CC(C)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000615990631 348425281 /nfs/dbraw/zinc/42/52/81/348425281.db2.gz AAXVGTIPGRLVRL-UHFFFAOYSA-N 1 2 293.367 2.495 20 5 CEBDLO C[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1C ZINC000339567418 215247064 /nfs/dbraw/zinc/24/70/64/215247064.db2.gz FOTUGBMVQRQRAL-IUCAKERBSA-N 1 2 260.297 2.311 20 5 CEBDLO C[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1C ZINC000339567418 215247066 /nfs/dbraw/zinc/24/70/66/215247066.db2.gz FOTUGBMVQRQRAL-IUCAKERBSA-N 1 2 260.297 2.311 20 5 CEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc2[nH+]ccn2c1 ZINC000147614033 539803815 /nfs/dbraw/zinc/80/38/15/539803815.db2.gz ZGGLXIFIIQZNIW-UHFFFAOYSA-N 1 2 296.286 2.424 20 5 CEBDLO CCc1nn(C)c(N[C@H]2C[C@H](C)n3cc[nH+]c32)c1[N+](=O)[O-] ZINC000450835698 282794206 /nfs/dbraw/zinc/79/42/06/282794206.db2.gz XQKLTLSQODKUCR-WPRPVWTQSA-N 1 2 290.327 2.205 20 5 CEBDLO COc1cccc(N[C@@H](C)Cn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000134912299 187781786 /nfs/dbraw/zinc/78/17/86/187781786.db2.gz DUWKZKZXCGBZIB-JTQLQIEISA-N 1 2 276.296 2.301 20 5 CEBDLO CN(Cc1[nH+]ccn1C)Cc1ccc([N+](=O)[O-])cc1F ZINC000153374113 188078911 /nfs/dbraw/zinc/07/89/11/188078911.db2.gz MEKSNJVHJQFRPB-UHFFFAOYSA-N 1 2 278.287 2.099 20 5 CEBDLO CC(C)[N@H+](Cc1cnnn1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000154462160 188144022 /nfs/dbraw/zinc/14/40/22/188144022.db2.gz OKJANETXBOYPCL-UHFFFAOYSA-N 1 2 289.339 2.134 20 5 CEBDLO CC(C)[N@@H+](Cc1cnnn1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000154462160 188144023 /nfs/dbraw/zinc/14/40/23/188144023.db2.gz OKJANETXBOYPCL-UHFFFAOYSA-N 1 2 289.339 2.134 20 5 CEBDLO CCn1cnnc1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000158401366 188374619 /nfs/dbraw/zinc/37/46/19/188374619.db2.gz UKBJWLCNFXJFMQ-LLVKDONJSA-N 1 2 289.339 2.365 20 5 CEBDLO CC[C@@H]([NH2+]Cc1nncn1CC)c1cccc([N+](=O)[O-])c1 ZINC000158430304 188376033 /nfs/dbraw/zinc/37/60/33/188376033.db2.gz BSPAAXLCGQGECR-CYBMUJFWSA-N 1 2 289.339 2.447 20 5 CEBDLO Cn1cc(CNc2c[nH]c[nH+]2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000578182300 366455636 /nfs/dbraw/zinc/45/56/36/366455636.db2.gz CLZJTDSHDDKNDO-UHFFFAOYSA-N 1 2 298.306 2.331 20 5 CEBDLO CCn1cc[nH+]c1CNc1ccc(N)cc1[N+](=O)[O-] ZINC000294894978 199235793 /nfs/dbraw/zinc/23/57/93/199235793.db2.gz DGWMMYMRSJRRMD-UHFFFAOYSA-N 1 2 261.285 2.006 20 5 CEBDLO CC[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000140669059 366563078 /nfs/dbraw/zinc/56/30/78/366563078.db2.gz JCASWOCEKHMQGK-LLVKDONJSA-N 1 2 292.270 2.338 20 5 CEBDLO C[C@H]1OCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000155972904 291206035 /nfs/dbraw/zinc/20/60/35/291206035.db2.gz WWXZFQDDFKHDRT-GHMZBOCLSA-N 1 2 250.298 2.204 20 5 CEBDLO C[C@H]1OCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000155972904 291206038 /nfs/dbraw/zinc/20/60/38/291206038.db2.gz WWXZFQDDFKHDRT-GHMZBOCLSA-N 1 2 250.298 2.204 20 5 CEBDLO C[C@H](CO)[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CCCC1 ZINC000339108620 366657235 /nfs/dbraw/zinc/65/72/35/366657235.db2.gz QXNBNNSIVFBCFQ-LLVKDONJSA-N 1 2 294.351 2.426 20 5 CEBDLO C[C@H](CO)[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CCCC1 ZINC000339108620 366657241 /nfs/dbraw/zinc/65/72/41/366657241.db2.gz QXNBNNSIVFBCFQ-LLVKDONJSA-N 1 2 294.351 2.426 20 5 CEBDLO C[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000179860491 189224625 /nfs/dbraw/zinc/22/46/25/189224625.db2.gz STTHPQWVCREPQY-FVOPLDGLSA-N 1 2 262.309 2.329 20 5 CEBDLO C[C@@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000179860491 189224626 /nfs/dbraw/zinc/22/46/26/189224626.db2.gz STTHPQWVCREPQY-FVOPLDGLSA-N 1 2 262.309 2.329 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000339168071 366687676 /nfs/dbraw/zinc/68/76/76/366687676.db2.gz KCAYCTFSHNGIGY-HUUCEWRRSA-N 1 2 292.335 2.444 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000339168071 366687679 /nfs/dbraw/zinc/68/76/79/366687679.db2.gz KCAYCTFSHNGIGY-HUUCEWRRSA-N 1 2 292.335 2.444 20 5 CEBDLO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC(=O)OC(C)(C)C ZINC000170645779 367390736 /nfs/dbraw/zinc/39/07/36/367390736.db2.gz QNTPTAQVODEJHR-UHFFFAOYSA-N 1 2 294.351 2.411 20 5 CEBDLO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC(=O)OC(C)(C)C ZINC000170645779 367390741 /nfs/dbraw/zinc/39/07/41/367390741.db2.gz QNTPTAQVODEJHR-UHFFFAOYSA-N 1 2 294.351 2.411 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)Cc1cc[nH]n1 ZINC000349978468 369474535 /nfs/dbraw/zinc/47/45/35/369474535.db2.gz UNAYLVRVUILIOL-UHFFFAOYSA-N 1 2 260.297 2.258 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1cc[nH]n1 ZINC000349978468 369474540 /nfs/dbraw/zinc/47/45/40/369474540.db2.gz UNAYLVRVUILIOL-UHFFFAOYSA-N 1 2 260.297 2.258 20 5 CEBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc2[nH+]ccn21 ZINC000358790443 371222257 /nfs/dbraw/zinc/22/22/57/371222257.db2.gz KLWBUAHGXRGSAK-UHFFFAOYSA-N 1 2 297.274 2.198 20 5 CEBDLO Cc1cc(C)c([N+](=O)[O-])c(N[C@H](C)Cn2cc[nH+]c2)n1 ZINC000359099454 371336614 /nfs/dbraw/zinc/33/66/14/371336614.db2.gz BQPJMXBLLALCMI-LLVKDONJSA-N 1 2 275.312 2.304 20 5 CEBDLO Cc1cn2c([nH+]1)CN(c1cc(F)ccc1[N+](=O)[O-])CC2 ZINC000365569132 372895019 /nfs/dbraw/zinc/89/50/19/372895019.db2.gz WFMCDNJJRFVJPM-UHFFFAOYSA-N 1 2 276.271 2.259 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000369902553 373532774 /nfs/dbraw/zinc/53/27/74/373532774.db2.gz OFSRIGOJTJIPBB-OKILXGFUSA-N 1 2 262.309 2.266 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000369902553 373532777 /nfs/dbraw/zinc/53/27/77/373532777.db2.gz OFSRIGOJTJIPBB-OKILXGFUSA-N 1 2 262.309 2.266 20 5 CEBDLO COC(=O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000274937428 374100315 /nfs/dbraw/zinc/10/03/15/374100315.db2.gz DLLDZOVEIBUKLD-BXUZGUMPSA-N 1 2 292.335 2.368 20 5 CEBDLO COC(=O)[C@H]1C[C@H](C)CC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000274937428 374100322 /nfs/dbraw/zinc/10/03/22/374100322.db2.gz DLLDZOVEIBUKLD-BXUZGUMPSA-N 1 2 292.335 2.368 20 5 CEBDLO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ncnn1C ZINC000276626897 374241893 /nfs/dbraw/zinc/24/18/93/374241893.db2.gz NMWVVVVFSHUAEX-VHSXEESVSA-N 1 2 275.312 2.135 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000282238237 375435009 /nfs/dbraw/zinc/43/50/09/375435009.db2.gz PTRLWNAOCLWSPL-NEPJUHHUSA-N 1 2 291.351 2.127 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000282238237 375435016 /nfs/dbraw/zinc/43/50/16/375435016.db2.gz PTRLWNAOCLWSPL-NEPJUHHUSA-N 1 2 291.351 2.127 20 5 CEBDLO C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ncnn1C ZINC000565216442 377611876 /nfs/dbraw/zinc/61/18/76/377611876.db2.gz JWHXCFDGVKITDC-CABZTGNLSA-N 1 2 287.323 2.061 20 5 CEBDLO Cc1cc(NCCc2cn(C)c[nH+]2)ccc1[N+](=O)[O-] ZINC000313484545 249395689 /nfs/dbraw/zinc/39/56/89/249395689.db2.gz MRYZGQUZGCTGAT-UHFFFAOYSA-N 1 2 260.297 2.291 20 5 CEBDLO CCOc1cc(NCCc2cn(C)c[nH+]2)ccc1[N+](=O)[O-] ZINC000313487693 249396371 /nfs/dbraw/zinc/39/63/71/249396371.db2.gz RHXOYPRIDMWYJN-UHFFFAOYSA-N 1 2 290.323 2.382 20 5 CEBDLO C[C@H]([C@H](C)Nc1cccc(F)c1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000301202421 379217276 /nfs/dbraw/zinc/21/72/76/379217276.db2.gz QAZFZEFJCZOMHV-WDEREUQCSA-N 1 2 297.330 2.255 20 5 CEBDLO COC(=O)[C@@]1(F)CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000267717353 190350010 /nfs/dbraw/zinc/35/00/10/190350010.db2.gz XUWVRJLJAZJXCK-QMTHXVAHSA-N 1 2 296.298 2.243 20 5 CEBDLO COC(=O)[C@@]1(F)CC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000267717353 190350011 /nfs/dbraw/zinc/35/00/11/190350011.db2.gz XUWVRJLJAZJXCK-QMTHXVAHSA-N 1 2 296.298 2.243 20 5 CEBDLO Cc1c([C@H](C)[NH2+][C@H](C)c2nncn2C)cccc1[N+](=O)[O-] ZINC000268830512 190439401 /nfs/dbraw/zinc/43/94/01/190439401.db2.gz BZXWKGXYBWNQJT-WDEREUQCSA-N 1 2 289.339 2.444 20 5 CEBDLO CCN1CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1=O ZINC000276241784 285226487 /nfs/dbraw/zinc/22/64/87/285226487.db2.gz OLDSWIDCYABSCS-GFCCVEGCSA-N 1 2 291.351 2.210 20 5 CEBDLO CCN1CCC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1=O ZINC000276241784 285226490 /nfs/dbraw/zinc/22/64/90/285226490.db2.gz OLDSWIDCYABSCS-GFCCVEGCSA-N 1 2 291.351 2.210 20 5 CEBDLO C[C@@H](O)CCN(C)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413173549 533611733 /nfs/dbraw/zinc/61/17/33/533611733.db2.gz PHOJMXXNFLIJKP-SNVBAGLBSA-N 1 2 275.308 2.350 20 5 CEBDLO CC(C)[N@H+](Cc1ccco1)Cc1c([N+](=O)[O-])ncn1C ZINC000355539752 394463293 /nfs/dbraw/zinc/46/32/93/394463293.db2.gz FJBDDXFCTQVGIZ-UHFFFAOYSA-N 1 2 278.312 2.332 20 5 CEBDLO CC(C)[N@@H+](Cc1ccco1)Cc1c([N+](=O)[O-])ncn1C ZINC000355539752 394463296 /nfs/dbraw/zinc/46/32/96/394463296.db2.gz FJBDDXFCTQVGIZ-UHFFFAOYSA-N 1 2 278.312 2.332 20 5 CEBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@]12CCOC2 ZINC000421028160 394472203 /nfs/dbraw/zinc/47/22/03/394472203.db2.gz WCEGTDRGIMAVDP-CYBMUJFWSA-N 1 2 266.272 2.099 20 5 CEBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@]12CCOC2 ZINC000421028160 394472207 /nfs/dbraw/zinc/47/22/07/394472207.db2.gz WCEGTDRGIMAVDP-CYBMUJFWSA-N 1 2 266.272 2.099 20 5 CEBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCO[C@H](CF)C1 ZINC000414466349 394743617 /nfs/dbraw/zinc/74/36/17/394743617.db2.gz BHRRPJPJGXPENI-MASHWEEQSA-N 1 2 280.299 2.278 20 5 CEBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCO[C@H](CF)C1 ZINC000414466349 394743620 /nfs/dbraw/zinc/74/36/20/394743620.db2.gz BHRRPJPJGXPENI-MASHWEEQSA-N 1 2 280.299 2.278 20 5 CEBDLO Cc1cc([N+](=O)[O-])cnc1N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000364905493 394915491 /nfs/dbraw/zinc/91/54/91/394915491.db2.gz OKYFPJWQAAMUQB-UHFFFAOYSA-N 1 2 287.323 2.405 20 5 CEBDLO Cc1cc([N+](=O)[O-])cnc1N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000364905493 394915495 /nfs/dbraw/zinc/91/54/95/394915495.db2.gz OKYFPJWQAAMUQB-UHFFFAOYSA-N 1 2 287.323 2.405 20 5 CEBDLO Cc1cc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)n(C)n1 ZINC000417802374 395127866 /nfs/dbraw/zinc/12/78/66/395127866.db2.gz WWLGXHOVPVLHGZ-UHFFFAOYSA-N 1 2 286.335 2.195 20 5 CEBDLO Cc1cc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)n(C)n1 ZINC000417802374 395127873 /nfs/dbraw/zinc/12/78/73/395127873.db2.gz WWLGXHOVPVLHGZ-UHFFFAOYSA-N 1 2 286.335 2.195 20 5 CEBDLO CCOC(=O)C[N@H+](C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182721363 395248562 /nfs/dbraw/zinc/24/85/62/395248562.db2.gz DNYDOHPSJCTNTN-LLVKDONJSA-N 1 2 280.324 2.459 20 5 CEBDLO CCOC(=O)C[N@@H+](C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182721363 395248564 /nfs/dbraw/zinc/24/85/64/395248564.db2.gz DNYDOHPSJCTNTN-LLVKDONJSA-N 1 2 280.324 2.459 20 5 CEBDLO O=[N+]([O-])c1cn(Cc2c[nH+]c3ccccn23)nc1C1CC1 ZINC000195054941 395457955 /nfs/dbraw/zinc/45/79/55/395457955.db2.gz SJZMBBRDEKPGOE-UHFFFAOYSA-N 1 2 283.291 2.365 20 5 CEBDLO CO[C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000449497098 395551282 /nfs/dbraw/zinc/55/12/82/395551282.db2.gz KEARXLUWKPBNHQ-IINYFYTJSA-N 1 2 280.324 2.157 20 5 CEBDLO CO[C@@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000449497098 395551285 /nfs/dbraw/zinc/55/12/85/395551285.db2.gz KEARXLUWKPBNHQ-IINYFYTJSA-N 1 2 280.324 2.157 20 5 CEBDLO COc1ccc(OCC[N@@H+]2CC[C@@H](F)C2)c([N+](=O)[O-])c1 ZINC000451192329 395591861 /nfs/dbraw/zinc/59/18/61/395591861.db2.gz SQCSPPRZBOWXMO-SNVBAGLBSA-N 1 2 284.287 2.026 20 5 CEBDLO COc1ccc(OCC[N@H+]2CC[C@@H](F)C2)c([N+](=O)[O-])c1 ZINC000451192329 395591862 /nfs/dbraw/zinc/59/18/62/395591862.db2.gz SQCSPPRZBOWXMO-SNVBAGLBSA-N 1 2 284.287 2.026 20 5 CEBDLO Cc1noc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000038034324 174032819 /nfs/dbraw/zinc/03/28/19/174032819.db2.gz MQMUCAPHAJUHQO-VIFPVBQESA-N 1 2 276.296 2.445 20 5 CEBDLO C[C@@H]1COC[C@H](C)[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000077366573 177257701 /nfs/dbraw/zinc/25/77/01/177257701.db2.gz FYYUYRRQMCKPIA-PHIMTYICSA-N 1 2 250.298 2.204 20 5 CEBDLO C[C@@H]1COC[C@H](C)[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000077366573 177257703 /nfs/dbraw/zinc/25/77/03/177257703.db2.gz FYYUYRRQMCKPIA-PHIMTYICSA-N 1 2 250.298 2.204 20 5 CEBDLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000152579073 276027554 /nfs/dbraw/zinc/02/75/54/276027554.db2.gz AHPFJFHOJAGNIA-CQSZACIVSA-N 1 2 291.351 2.004 20 5 CEBDLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000152579073 276027555 /nfs/dbraw/zinc/02/75/55/276027555.db2.gz AHPFJFHOJAGNIA-CQSZACIVSA-N 1 2 291.351 2.004 20 5 CEBDLO CCn1nnc(C)c1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000449009401 282066228 /nfs/dbraw/zinc/06/62/28/282066228.db2.gz HZTGSDPWFUTTCM-UHFFFAOYSA-N 1 2 289.339 2.147 20 5 CEBDLO CCn1nnc(C)c1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000449009401 282066229 /nfs/dbraw/zinc/06/62/29/282066229.db2.gz HZTGSDPWFUTTCM-UHFFFAOYSA-N 1 2 289.339 2.147 20 5 CEBDLO COCC1(C)C[NH+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000459619669 290196786 /nfs/dbraw/zinc/19/67/86/290196786.db2.gz GLROHYDZVDAYTH-UHFFFAOYSA-N 1 2 280.324 2.072 20 5 CEBDLO O=[N+]([O-])c1cnc(N2CC[C@H](Oc3cc[nH+]cc3)C2)s1 ZINC000472349195 290295556 /nfs/dbraw/zinc/29/55/56/290295556.db2.gz LMGIVTFSWGZCAJ-JTQLQIEISA-N 1 2 292.320 2.104 20 5 CEBDLO Cc1c[nH+]ccc1NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000578708165 314507702 /nfs/dbraw/zinc/50/77/02/314507702.db2.gz JORGHKKXEHIZJB-LLVKDONJSA-N 1 2 285.303 2.462 20 5 CEBDLO COC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000183283416 523164175 /nfs/dbraw/zinc/16/41/75/523164175.db2.gz UHXNAIWZYZVPHH-UHFFFAOYSA-N 1 2 280.324 2.287 20 5 CEBDLO COC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000183283416 523164182 /nfs/dbraw/zinc/16/41/82/523164182.db2.gz UHXNAIWZYZVPHH-UHFFFAOYSA-N 1 2 280.324 2.287 20 5 CEBDLO CCOC1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413289937 528553931 /nfs/dbraw/zinc/55/39/31/528553931.db2.gz BATQXYGZNVRNOM-UHFFFAOYSA-N 1 2 273.292 2.368 20 5 CEBDLO C[C@@H]1COCCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000749513570 575223648 /nfs/dbraw/zinc/22/36/48/575223648.db2.gz FWIAPANGSWMALR-SNVBAGLBSA-N 1 2 268.288 2.345 20 5 CEBDLO C[C@@H]1COCCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000749513570 575223649 /nfs/dbraw/zinc/22/36/49/575223649.db2.gz FWIAPANGSWMALR-SNVBAGLBSA-N 1 2 268.288 2.345 20 5 CEBDLO CCCCC[N@H+](CC(N)=O)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801538498 631285756 /nfs/dbraw/zinc/28/57/56/631285756.db2.gz HVIKPDCJMLMNGT-UHFFFAOYSA-N 1 2 297.330 2.211 20 5 CEBDLO CCCCC[N@@H+](CC(N)=O)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801538498 631285761 /nfs/dbraw/zinc/28/57/61/631285761.db2.gz HVIKPDCJMLMNGT-UHFFFAOYSA-N 1 2 297.330 2.211 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000802233887 631408915 /nfs/dbraw/zinc/40/89/15/631408915.db2.gz WHHODWQVUXGPKH-LBPRGKRZSA-N 1 2 296.298 2.104 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802233887 631408918 /nfs/dbraw/zinc/40/89/18/631408918.db2.gz WHHODWQVUXGPKH-LBPRGKRZSA-N 1 2 296.298 2.104 20 5 CEBDLO C[C@@H]([NH2+]Cc1cn(C2CC2)nn1)c1cccc([N+](=O)[O-])c1 ZINC000906286083 636681038 /nfs/dbraw/zinc/68/10/38/636681038.db2.gz ORDQJOYHBOJTIH-SNVBAGLBSA-N 1 2 287.323 2.372 20 5 CEBDLO Cc1nn(C[N@H+]2CCC[C@@H](OC(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000844718223 640815867 /nfs/dbraw/zinc/81/58/67/640815867.db2.gz DJZKPMYUMOEKDR-CYBMUJFWSA-N 1 2 296.371 2.255 20 5 CEBDLO Cc1nn(C[N@@H+]2CCC[C@@H](OC(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000844718223 640815871 /nfs/dbraw/zinc/81/58/71/640815871.db2.gz DJZKPMYUMOEKDR-CYBMUJFWSA-N 1 2 296.371 2.255 20 5 CEBDLO CCC(=O)NC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001002193992 642759931 /nfs/dbraw/zinc/75/99/31/642759931.db2.gz XCGXJJBULCOWCQ-UHFFFAOYSA-N 1 2 297.380 2.147 20 5 CEBDLO CCn1ncc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)n1 ZINC000858444490 645161530 /nfs/dbraw/zinc/16/15/30/645161530.db2.gz XKPNHDKXXIHXIJ-NSHDSACASA-N 1 2 289.339 2.365 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1C(=O)OCCCn1cc[nH+]c1 ZINC000763287898 645528797 /nfs/dbraw/zinc/52/87/97/645528797.db2.gz PRXAEHYYHVNWKL-UHFFFAOYSA-N 1 2 289.291 2.347 20 5 CEBDLO Cc1nn(C[N@H+]2CC[C@@H](OCC(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000120818946 647545936 /nfs/dbraw/zinc/54/59/36/647545936.db2.gz YFQHQSQQCLMKMM-CYBMUJFWSA-N 1 2 296.371 2.113 20 5 CEBDLO Cc1nn(C[N@@H+]2CC[C@@H](OCC(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000120818946 647545938 /nfs/dbraw/zinc/54/59/38/647545938.db2.gz YFQHQSQQCLMKMM-CYBMUJFWSA-N 1 2 296.371 2.113 20 5 CEBDLO C[C@@H]1C[C@H](C)[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000793227572 648726776 /nfs/dbraw/zinc/72/67/76/648726776.db2.gz DSKWSOGYIGITFU-DTORHVGOSA-N 1 2 265.269 2.486 20 5 CEBDLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000793227572 648726778 /nfs/dbraw/zinc/72/67/78/648726778.db2.gz DSKWSOGYIGITFU-DTORHVGOSA-N 1 2 265.269 2.486 20 5 CEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC(F)CC2)c([N+](=O)[O-])c1 ZINC000880239731 651407215 /nfs/dbraw/zinc/40/72/15/651407215.db2.gz OLVXSAQXXYBNQU-UHFFFAOYSA-N 1 2 283.259 2.437 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@H](CF)C1 ZINC000880298993 651419438 /nfs/dbraw/zinc/41/94/38/651419438.db2.gz MVQXOUSEEJNCMI-SECBINFHSA-N 1 2 254.261 2.092 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@H](CF)C1 ZINC000880298993 651419439 /nfs/dbraw/zinc/41/94/39/651419439.db2.gz MVQXOUSEEJNCMI-SECBINFHSA-N 1 2 254.261 2.092 20 5 CEBDLO COc1cc([N+](=O)[O-])c(NCc2cc[nH+]c(N)c2)cc1F ZINC001167617193 803204553 /nfs/dbraw/zinc/20/45/53/803204553.db2.gz IYNQMYZLJLAMBG-UHFFFAOYSA-N 1 2 292.270 2.332 20 5 CEBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1NC[C@@H]1COCC[N@H+]1C ZINC001169652691 811607546 /nfs/dbraw/zinc/60/75/46/811607546.db2.gz ATXZKOOJIORIEV-CYBMUJFWSA-N 1 2 293.367 2.263 20 5 CEBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1NC[C@@H]1COCC[N@@H+]1C ZINC001169652691 811607549 /nfs/dbraw/zinc/60/75/49/811607549.db2.gz ATXZKOOJIORIEV-CYBMUJFWSA-N 1 2 293.367 2.263 20 5 CEBDLO COc1ccc(C[C@H](C)[NH+]2CC(C)(OC)C2)c([N+](=O)[O-])c1 ZINC001170329567 812388495 /nfs/dbraw/zinc/38/84/95/812388495.db2.gz RPJLOQGDXVBXPY-NSHDSACASA-N 1 2 294.351 2.255 20 5 CEBDLO COC(=O)C(C)(C)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173212329 815635590 /nfs/dbraw/zinc/63/55/90/815635590.db2.gz ZICLIBKVRPHADH-JTQLQIEISA-N 1 2 280.324 2.067 20 5 CEBDLO C[C@@H]([NH2+]Cc1csnn1)c1cccc([N+](=O)[O-])c1 ZINC000037775644 361935825 /nfs/dbraw/zinc/93/58/25/361935825.db2.gz JLYYHWYSWUCCJK-MRVPVSSYSA-N 1 2 264.310 2.297 20 5 CEBDLO CC[C@@](C)([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1nccs1 ZINC000357097582 529506759 /nfs/dbraw/zinc/50/67/59/529506759.db2.gz QMLFHXPRUXWHPA-GFCCVEGCSA-N 1 2 295.368 2.200 20 5 CEBDLO CC[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000045752389 362167237 /nfs/dbraw/zinc/16/72/37/362167237.db2.gz LBHOVWDYCVLTGS-LBPRGKRZSA-N 1 2 250.298 2.206 20 5 CEBDLO CC[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000045752389 362167244 /nfs/dbraw/zinc/16/72/44/362167244.db2.gz LBHOVWDYCVLTGS-LBPRGKRZSA-N 1 2 250.298 2.206 20 5 CEBDLO CCCCCNC(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046862939 343505300 /nfs/dbraw/zinc/50/53/00/343505300.db2.gz QLHUOSNZBVCLLJ-UHFFFAOYSA-N 1 2 293.367 2.333 20 5 CEBDLO CCCCCNC(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046862939 343505303 /nfs/dbraw/zinc/50/53/03/343505303.db2.gz QLHUOSNZBVCLLJ-UHFFFAOYSA-N 1 2 293.367 2.333 20 5 CEBDLO Cc1c(C[N@H+](C)CC(=O)NC(C)(C)C)cccc1[N+](=O)[O-] ZINC000051590186 343552222 /nfs/dbraw/zinc/55/22/22/343552222.db2.gz MVIWKUJRPXTSMM-UHFFFAOYSA-N 1 2 293.367 2.250 20 5 CEBDLO Cc1c(C[N@@H+](C)CC(=O)NC(C)(C)C)cccc1[N+](=O)[O-] ZINC000051590186 343552224 /nfs/dbraw/zinc/55/22/24/343552224.db2.gz MVIWKUJRPXTSMM-UHFFFAOYSA-N 1 2 293.367 2.250 20 5 CEBDLO CNc1ccc(Nc2ncc(C)cc2[N+](=O)[O-])c[nH+]1 ZINC000078632050 343959338 /nfs/dbraw/zinc/95/93/38/343959338.db2.gz WQHXCBAZGPVNTM-UHFFFAOYSA-N 1 2 259.269 2.479 20 5 CEBDLO Cn1cc(C[N@H+](Cc2ccccc2)C2CC2)c([N+](=O)[O-])n1 ZINC000602434556 347031154 /nfs/dbraw/zinc/03/11/54/347031154.db2.gz GFQQKYJWTQQSER-UHFFFAOYSA-N 1 2 286.335 2.493 20 5 CEBDLO Cn1cc(C[N@@H+](Cc2ccccc2)C2CC2)c([N+](=O)[O-])n1 ZINC000602434556 347031156 /nfs/dbraw/zinc/03/11/56/347031156.db2.gz GFQQKYJWTQQSER-UHFFFAOYSA-N 1 2 286.335 2.493 20 5 CEBDLO C[C@H](O)[C@H]1CCCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000092971219 344209023 /nfs/dbraw/zinc/20/90/23/344209023.db2.gz XNKLHRDFQMYZOM-GXFFZTMASA-N 1 2 280.324 2.036 20 5 CEBDLO C[C@H](O)[C@H]1CCCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000092971219 344209025 /nfs/dbraw/zinc/20/90/25/344209025.db2.gz XNKLHRDFQMYZOM-GXFFZTMASA-N 1 2 280.324 2.036 20 5 CEBDLO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093482060 344225362 /nfs/dbraw/zinc/22/53/62/344225362.db2.gz ZQABMDDBNVOEGN-JQWIXIFHSA-N 1 2 280.324 2.036 20 5 CEBDLO C[C@H](O)C[C@@H]1CCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093482060 344225364 /nfs/dbraw/zinc/22/53/64/344225364.db2.gz ZQABMDDBNVOEGN-JQWIXIFHSA-N 1 2 280.324 2.036 20 5 CEBDLO CSCC[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093509379 344225966 /nfs/dbraw/zinc/22/59/66/344225966.db2.gz FMEZPCIFWZHQHT-UHFFFAOYSA-N 1 2 256.327 2.095 20 5 CEBDLO CSCC[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093509379 344225967 /nfs/dbraw/zinc/22/59/67/344225967.db2.gz FMEZPCIFWZHQHT-UHFFFAOYSA-N 1 2 256.327 2.095 20 5 CEBDLO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000092546172 344194338 /nfs/dbraw/zinc/19/43/38/344194338.db2.gz PHLZZUPQLVQKJK-GFCCVEGCSA-N 1 2 293.323 2.113 20 5 CEBDLO CCC[N@H+]1CCC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000092546172 344194340 /nfs/dbraw/zinc/19/43/40/344194340.db2.gz PHLZZUPQLVQKJK-GFCCVEGCSA-N 1 2 293.323 2.113 20 5 CEBDLO COC(=O)[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000152566426 344426422 /nfs/dbraw/zinc/42/64/22/344426422.db2.gz URTZGBRWFHCIRV-CYBMUJFWSA-N 1 2 294.351 2.315 20 5 CEBDLO O=[N+]([O-])c1ncccc1NCCCCn1cc[nH+]c1 ZINC000135883294 344383051 /nfs/dbraw/zinc/38/30/51/344383051.db2.gz PXVKQQBTSKVECN-UHFFFAOYSA-N 1 2 261.285 2.079 20 5 CEBDLO Nc1ccc(CNc2ncnc3ccc([N+](=O)[O-])cc32)c[nH+]1 ZINC000308373872 344727585 /nfs/dbraw/zinc/72/75/85/344727585.db2.gz HYEBEGMEBODIBF-UHFFFAOYSA-N 1 2 296.290 2.127 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+]C1(CCO)CCCC1 ZINC000586780971 345021339 /nfs/dbraw/zinc/02/13/39/345021339.db2.gz GVKZMWMKANWJJM-UHFFFAOYSA-N 1 2 280.324 2.085 20 5 CEBDLO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCSCC1 ZINC000595290510 345755451 /nfs/dbraw/zinc/75/54/51/345755451.db2.gz LFHPJURGTAOLEN-UHFFFAOYSA-N 1 2 256.302 2.283 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1cocn1 ZINC000595024118 345729465 /nfs/dbraw/zinc/72/94/65/345729465.db2.gz WIIYLZIPRCUPKE-VIFPVBQESA-N 1 2 277.280 2.442 20 5 CEBDLO CCn1cc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)nn1 ZINC000595067790 345738608 /nfs/dbraw/zinc/73/86/08/345738608.db2.gz IRIYPQPPGVMUGK-LLVKDONJSA-N 1 2 289.339 2.365 20 5 CEBDLO Cc1c(C[N@@H+]2CCc3nccnc3C2)cccc1[N+](=O)[O-] ZINC000595865833 345901110 /nfs/dbraw/zinc/90/11/10/345901110.db2.gz XQZJEPMFLSISEK-UHFFFAOYSA-N 1 2 284.319 2.252 20 5 CEBDLO Cc1c(C[N@H+]2CCc3nccnc3C2)cccc1[N+](=O)[O-] ZINC000595865833 345901113 /nfs/dbraw/zinc/90/11/13/345901113.db2.gz XQZJEPMFLSISEK-UHFFFAOYSA-N 1 2 284.319 2.252 20 5 CEBDLO C[C@H]1C[C@H](Nc2c(Cl)cncc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000596256880 345982365 /nfs/dbraw/zinc/98/23/65/345982365.db2.gz HSQWOVFNHVTGRN-CBAPKCEASA-N 1 2 293.714 2.380 20 5 CEBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCc2nccnc2C1 ZINC000597235633 346157557 /nfs/dbraw/zinc/15/75/57/346157557.db2.gz IZPIUPFQUSCSCD-HYXAFXHYSA-N 1 2 296.330 2.456 20 5 CEBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCc2nccnc2C1 ZINC000597235633 346157559 /nfs/dbraw/zinc/15/75/59/346157559.db2.gz IZPIUPFQUSCSCD-HYXAFXHYSA-N 1 2 296.330 2.456 20 5 CEBDLO C[C@@H](C(=O)N(C)Cc1c[nH+]c[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000597857563 346238806 /nfs/dbraw/zinc/23/88/06/346238806.db2.gz NGRAWLVIXRHSIQ-SNVBAGLBSA-N 1 2 288.307 2.080 20 5 CEBDLO C[C@@H](C(=O)N(C)Cc1c[nH]c[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000597857563 346238808 /nfs/dbraw/zinc/23/88/08/346238808.db2.gz NGRAWLVIXRHSIQ-SNVBAGLBSA-N 1 2 288.307 2.080 20 5 CEBDLO CCc1ccc(C(=O)N(C)Cc2c[nH+]c[nH]2)cc1[N+](=O)[O-] ZINC000597865113 346242395 /nfs/dbraw/zinc/24/23/95/346242395.db2.gz SHPNTWRHDCDPEK-UHFFFAOYSA-N 1 2 288.307 2.153 20 5 CEBDLO CCc1ccc(C(=O)N(C)Cc2c[nH]c[nH+]2)cc1[N+](=O)[O-] ZINC000597865113 346242396 /nfs/dbraw/zinc/24/23/96/346242396.db2.gz SHPNTWRHDCDPEK-UHFFFAOYSA-N 1 2 288.307 2.153 20 5 CEBDLO Cc1oncc1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000128883102 365809193 /nfs/dbraw/zinc/80/91/93/365809193.db2.gz VJWCOJKMUCJAIX-UHFFFAOYSA-N 1 2 273.292 2.450 20 5 CEBDLO Cc1oncc1C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000128883102 365809199 /nfs/dbraw/zinc/80/91/99/365809199.db2.gz VJWCOJKMUCJAIX-UHFFFAOYSA-N 1 2 273.292 2.450 20 5 CEBDLO O=[N+]([O-])c1c(N[C@H]2C[C@@H](O)C2)ccc2c[nH+]ccc21 ZINC000599088965 346458633 /nfs/dbraw/zinc/45/86/33/346458633.db2.gz VBXUGJGTRAEQKT-AOOOYVTPSA-N 1 2 259.265 2.078 20 5 CEBDLO Cc1ccc2c(c1)C[N@H+](Cc1cn(C)nc1[N+](=O)[O-])CC2 ZINC000602711684 347164986 /nfs/dbraw/zinc/16/49/86/347164986.db2.gz VJPCFWNCQWZNGG-UHFFFAOYSA-N 1 2 286.335 2.195 20 5 CEBDLO Cc1ccc2c(c1)C[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])CC2 ZINC000602711684 347164990 /nfs/dbraw/zinc/16/49/90/347164990.db2.gz VJPCFWNCQWZNGG-UHFFFAOYSA-N 1 2 286.335 2.195 20 5 CEBDLO C[C@@H](c1cccc(O)c1)[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602791721 347199656 /nfs/dbraw/zinc/19/96/56/347199656.db2.gz IJMYNAHQWNHMAK-JTQLQIEISA-N 1 2 290.323 2.227 20 5 CEBDLO C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602791721 347199657 /nfs/dbraw/zinc/19/96/57/347199657.db2.gz IJMYNAHQWNHMAK-JTQLQIEISA-N 1 2 290.323 2.227 20 5 CEBDLO CCc1nc([C@H](C)[NH2+]Cc2cn(C)nc2[N+](=O)[O-])cs1 ZINC000602808131 347208493 /nfs/dbraw/zinc/20/84/93/347208493.db2.gz CJDMQQDFHXDMFX-QMMMGPOBSA-N 1 2 295.368 2.198 20 5 CEBDLO CC(C)(Nc1ncc([N+](=O)[O-])cc1F)c1[nH]cc[nH+]1 ZINC000603405630 347361045 /nfs/dbraw/zinc/36/10/45/347361045.db2.gz BUHLVHRIKVBMTM-UHFFFAOYSA-N 1 2 265.248 2.199 20 5 CEBDLO C[C@@H]1C[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC[C@H]1O ZINC000351825277 219218266 /nfs/dbraw/zinc/21/82/66/219218266.db2.gz WZOSCQUOUWUFFL-AMIZOPFISA-N 1 2 286.278 2.076 20 5 CEBDLO C[C@@H]1C[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC[C@H]1O ZINC000351825277 219218267 /nfs/dbraw/zinc/21/82/67/219218267.db2.gz WZOSCQUOUWUFFL-AMIZOPFISA-N 1 2 286.278 2.076 20 5 CEBDLO O=C(C[N@@H+]1CC[C@@H](C(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000611179996 347748557 /nfs/dbraw/zinc/74/85/57/347748557.db2.gz PJIHDQHGRWPYPW-SECBINFHSA-N 1 2 299.277 2.120 20 5 CEBDLO O=C(C[N@H+]1CC[C@@H](C(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000611179996 347748561 /nfs/dbraw/zinc/74/85/61/347748561.db2.gz PJIHDQHGRWPYPW-SECBINFHSA-N 1 2 299.277 2.120 20 5 CEBDLO COc1cc(COCc2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000611509486 347788112 /nfs/dbraw/zinc/78/81/12/347788112.db2.gz IIEQTTXTJIMOLD-UHFFFAOYSA-N 1 2 263.253 2.043 20 5 CEBDLO O=[N+]([O-])c1cc(C[N@H+]2CC=CCC2)c2c(c1)COCO2 ZINC000611517268 347789284 /nfs/dbraw/zinc/78/92/84/347789284.db2.gz MSXKJRWJMGCKFA-UHFFFAOYSA-N 1 2 276.292 2.223 20 5 CEBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC=CCC2)c2c(c1)COCO2 ZINC000611517268 347789287 /nfs/dbraw/zinc/78/92/87/347789287.db2.gz MSXKJRWJMGCKFA-UHFFFAOYSA-N 1 2 276.292 2.223 20 5 CEBDLO Cn1c[nH+]cc1CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000357603047 233106379 /nfs/dbraw/zinc/10/63/79/233106379.db2.gz OHCONPLGJJLJLZ-UHFFFAOYSA-N 1 2 283.291 2.489 20 5 CEBDLO CCCN(C)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000619153415 349130138 /nfs/dbraw/zinc/13/01/38/349130138.db2.gz JYQUITNXARDTSQ-UHFFFAOYSA-N 1 2 293.367 2.273 20 5 CEBDLO CCC[C@@](C)([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000109801422 186273798 /nfs/dbraw/zinc/27/37/98/186273798.db2.gz HIGCYDZIALEXAV-OAHLLOKOSA-N 1 2 294.351 2.459 20 5 CEBDLO Cc1cc(NCc2ccc[nH+]c2N(C)C)ncc1[N+](=O)[O-] ZINC000074740539 363380281 /nfs/dbraw/zinc/38/02/81/363380281.db2.gz ODHMSIUMJCETGB-UHFFFAOYSA-N 1 2 287.323 2.371 20 5 CEBDLO C[C@@H]1COCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000338253756 366255450 /nfs/dbraw/zinc/25/54/50/366255450.db2.gz RJMXHBLJTXBRBN-JTQLQIEISA-N 1 2 268.288 2.202 20 5 CEBDLO C[C@@H]1COCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000338253756 366255459 /nfs/dbraw/zinc/25/54/59/366255459.db2.gz RJMXHBLJTXBRBN-JTQLQIEISA-N 1 2 268.288 2.202 20 5 CEBDLO CC[C@@H]1COCC[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000115575265 365017177 /nfs/dbraw/zinc/01/71/77/365017177.db2.gz UVXNZFLXNJUBFU-GFCCVEGCSA-N 1 2 280.324 2.214 20 5 CEBDLO CC[C@@H]1COCC[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000115575265 365017187 /nfs/dbraw/zinc/01/71/87/365017187.db2.gz UVXNZFLXNJUBFU-GFCCVEGCSA-N 1 2 280.324 2.214 20 5 CEBDLO Cc1c(C[N@@H+]2CCc3n[nH]cc3C2)cccc1[N+](=O)[O-] ZINC000118854103 365186429 /nfs/dbraw/zinc/18/64/29/365186429.db2.gz ACTDBHQUYCSELN-UHFFFAOYSA-N 1 2 272.308 2.185 20 5 CEBDLO Cc1c(C[N@H+]2CCc3n[nH]cc3C2)cccc1[N+](=O)[O-] ZINC000118854103 365186434 /nfs/dbraw/zinc/18/64/34/365186434.db2.gz ACTDBHQUYCSELN-UHFFFAOYSA-N 1 2 272.308 2.185 20 5 CEBDLO CO[C@@]1(C)CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000330455213 202845362 /nfs/dbraw/zinc/84/53/62/202845362.db2.gz MXYOFUYILKAGKX-AWEZNQCLSA-N 1 2 280.324 2.301 20 5 CEBDLO CO[C@@]1(C)CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000330455213 202845365 /nfs/dbraw/zinc/84/53/65/202845365.db2.gz MXYOFUYILKAGKX-AWEZNQCLSA-N 1 2 280.324 2.301 20 5 CEBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185158357 368758224 /nfs/dbraw/zinc/75/82/24/368758224.db2.gz WPOPPTWWQIQRQV-IUODEOHRSA-N 1 2 292.335 2.147 20 5 CEBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000185158357 368758228 /nfs/dbraw/zinc/75/82/28/368758228.db2.gz WPOPPTWWQIQRQV-IUODEOHRSA-N 1 2 292.335 2.147 20 5 CEBDLO COC[C@@H]1C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000188338075 369340897 /nfs/dbraw/zinc/34/08/97/369340897.db2.gz XPHVNXGDQUYQDY-JSGCOSHPSA-N 1 2 294.351 2.139 20 5 CEBDLO COC[C@@H]1C[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000188338075 369340906 /nfs/dbraw/zinc/34/09/06/369340906.db2.gz XPHVNXGDQUYQDY-JSGCOSHPSA-N 1 2 294.351 2.139 20 5 CEBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCOCC1CC1)CCO2 ZINC000352677548 369832848 /nfs/dbraw/zinc/83/28/48/369832848.db2.gz KTAZANBRSLZOPK-UHFFFAOYSA-N 1 2 292.335 2.216 20 5 CEBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCOCC1CC1)CCO2 ZINC000352677548 369832851 /nfs/dbraw/zinc/83/28/51/369832851.db2.gz KTAZANBRSLZOPK-UHFFFAOYSA-N 1 2 292.335 2.216 20 5 CEBDLO COc1cc(N[C@@H](C)Cn2cc[nH+]c2)c(F)cc1[N+](=O)[O-] ZINC000227858044 370386329 /nfs/dbraw/zinc/38/63/29/370386329.db2.gz UNYARXOJQOSNLH-VIFPVBQESA-N 1 2 294.286 2.440 20 5 CEBDLO Cc1ccc(Cn2cc([N+](=O)[O-])cc(Cl)c2=O)c(C)[nH+]1 ZINC000358689243 371175630 /nfs/dbraw/zinc/17/56/30/371175630.db2.gz LMHGPHPJCQETSN-UHFFFAOYSA-N 1 2 293.710 2.470 20 5 CEBDLO COC[C@@H]1C[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000251918456 371423687 /nfs/dbraw/zinc/42/36/87/371423687.db2.gz SFWUFNIDLNWYGX-JMSVASOKSA-N 1 2 294.351 2.392 20 5 CEBDLO COC[C@@H]1C[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000251918456 371423695 /nfs/dbraw/zinc/42/36/95/371423695.db2.gz SFWUFNIDLNWYGX-JMSVASOKSA-N 1 2 294.351 2.392 20 5 CEBDLO Cc1c[nH+]ccc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344240138 217113290 /nfs/dbraw/zinc/11/32/90/217113290.db2.gz QECDEYNAEVFDDT-UHFFFAOYSA-N 1 2 275.239 2.112 20 5 CEBDLO CC[C@H]1C[N@H+](CCNc2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000362658630 372475618 /nfs/dbraw/zinc/47/56/18/372475618.db2.gz SFBKBZCUALWNJF-LBPRGKRZSA-N 1 2 297.330 2.257 20 5 CEBDLO CC[C@H]1C[N@@H+](CCNc2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000362658630 372475631 /nfs/dbraw/zinc/47/56/31/372475631.db2.gz SFBKBZCUALWNJF-LBPRGKRZSA-N 1 2 297.330 2.257 20 5 CEBDLO Cn1ccnc1[C@H]([NH2+]C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000272570873 373558164 /nfs/dbraw/zinc/55/81/64/373558164.db2.gz VXNUZKVIJVOZSO-CYBMUJFWSA-N 1 2 272.308 2.170 20 5 CEBDLO C[C@@H]([NH2+][C@@H](C)c1ncnn1C)c1ccc([N+](=O)[O-])cc1 ZINC000276626899 374241838 /nfs/dbraw/zinc/24/18/38/374241838.db2.gz NMWVVVVFSHUAEX-ZJUUUORDSA-N 1 2 275.312 2.135 20 5 CEBDLO Cc1c(C[N@@H+]2CC[S@](=O)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000277534604 374556646 /nfs/dbraw/zinc/55/66/46/374556646.db2.gz RRHCDRKHJPRLJS-YBTHPKLGSA-N 1 2 296.392 2.104 20 5 CEBDLO Cc1c(C[N@H+]2CC[S@](=O)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000277534604 374556651 /nfs/dbraw/zinc/55/66/51/374556651.db2.gz RRHCDRKHJPRLJS-YBTHPKLGSA-N 1 2 296.392 2.104 20 5 CEBDLO Cc1noc(C(C)(C)[NH2+]Cc2cccc([N+](=O)[O-])c2)n1 ZINC000284082624 375807584 /nfs/dbraw/zinc/80/75/84/375807584.db2.gz REIUUORJENGOHW-UHFFFAOYSA-N 1 2 276.296 2.311 20 5 CEBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCCC[C@H]2CO)c(F)c1 ZINC000286133321 375852750 /nfs/dbraw/zinc/85/27/50/375852750.db2.gz WOEVNFIGAYVMPC-VIFPVBQESA-N 1 2 286.278 2.220 20 5 CEBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCCC[C@H]2CO)c(F)c1 ZINC000286133321 375852757 /nfs/dbraw/zinc/85/27/57/375852757.db2.gz WOEVNFIGAYVMPC-VIFPVBQESA-N 1 2 286.278 2.220 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@H](O)CC12CCC2 ZINC000420989684 376759223 /nfs/dbraw/zinc/75/92/23/376759223.db2.gz CSEPONCZNHCGCS-ZDUSSCGKSA-N 1 2 292.335 2.180 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@H](O)CC12CCC2 ZINC000420989684 376759234 /nfs/dbraw/zinc/75/92/34/376759234.db2.gz CSEPONCZNHCGCS-ZDUSSCGKSA-N 1 2 292.335 2.180 20 5 CEBDLO CO[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC[C@H]1C ZINC000330458983 377144339 /nfs/dbraw/zinc/14/43/39/377144339.db2.gz SMFYAQQJFFBKKA-QMTHXVAHSA-N 1 2 280.324 2.157 20 5 CEBDLO CO[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC[C@H]1C ZINC000330458983 377144343 /nfs/dbraw/zinc/14/43/43/377144343.db2.gz SMFYAQQJFFBKKA-QMTHXVAHSA-N 1 2 280.324 2.157 20 5 CEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)[C@@H]1CCc2ccccc21 ZINC000331712970 377491419 /nfs/dbraw/zinc/49/14/19/377491419.db2.gz GLBRBYDOMOFLMU-CYBMUJFWSA-N 1 2 286.335 2.448 20 5 CEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC000331712970 377491424 /nfs/dbraw/zinc/49/14/24/377491424.db2.gz GLBRBYDOMOFLMU-CYBMUJFWSA-N 1 2 286.335 2.448 20 5 CEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000293362356 377537445 /nfs/dbraw/zinc/53/74/45/377537445.db2.gz INEZMIKQTXNQTC-OUAUKWLOSA-N 1 2 277.324 2.262 20 5 CEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)[C@@H]1C ZINC000293362356 377537447 /nfs/dbraw/zinc/53/74/47/377537447.db2.gz INEZMIKQTXNQTC-OUAUKWLOSA-N 1 2 277.324 2.262 20 5 CEBDLO CC1(C)C[N@H+](Cc2csc([N+](=O)[O-])c2)CC[C@H]1O ZINC000438331889 377897162 /nfs/dbraw/zinc/89/71/62/377897162.db2.gz CGLBRNAGETXHQH-SNVBAGLBSA-N 1 2 270.354 2.249 20 5 CEBDLO CC1(C)C[N@@H+](Cc2csc([N+](=O)[O-])c2)CC[C@H]1O ZINC000438331889 377897166 /nfs/dbraw/zinc/89/71/66/377897166.db2.gz CGLBRNAGETXHQH-SNVBAGLBSA-N 1 2 270.354 2.249 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000449689095 378220282 /nfs/dbraw/zinc/22/02/82/378220282.db2.gz XTYPPUQGYOKFJA-OAHLLOKOSA-N 1 2 292.335 2.303 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000449689095 378220288 /nfs/dbraw/zinc/22/02/88/378220288.db2.gz XTYPPUQGYOKFJA-OAHLLOKOSA-N 1 2 292.335 2.303 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C1CC1)C1COC1 ZINC000296003150 378388735 /nfs/dbraw/zinc/38/87/35/378388735.db2.gz KZWVWDHUNGFFAH-UHFFFAOYSA-N 1 2 262.309 2.266 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C1CC1)C1COC1 ZINC000296003150 378388739 /nfs/dbraw/zinc/38/87/39/378388739.db2.gz KZWVWDHUNGFFAH-UHFFFAOYSA-N 1 2 262.309 2.266 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)c(F)c1 ZINC000267043561 190299238 /nfs/dbraw/zinc/29/92/38/190299238.db2.gz PIABXZOULNBVMY-ZIAGYGMSSA-N 1 2 280.299 2.487 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@@H]3CCC[C@H]32)c(F)c1 ZINC000267043561 190299239 /nfs/dbraw/zinc/29/92/39/190299239.db2.gz PIABXZOULNBVMY-ZIAGYGMSSA-N 1 2 280.299 2.487 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(N(C)Cc2[nH+]ccn2C)c1 ZINC000347864327 218380836 /nfs/dbraw/zinc/38/08/36/218380836.db2.gz DRJUOBIAZAXQCQ-UHFFFAOYSA-N 1 2 260.297 2.273 20 5 CEBDLO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)[C@H](C)C1 ZINC000288470076 197087395 /nfs/dbraw/zinc/08/73/95/197087395.db2.gz ORRFXFOERXBUFE-SECBINFHSA-N 1 2 297.380 2.131 20 5 CEBDLO CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)[C@H](C)C1 ZINC000288470076 197087396 /nfs/dbraw/zinc/08/73/96/197087396.db2.gz ORRFXFOERXBUFE-SECBINFHSA-N 1 2 297.380 2.131 20 5 CEBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@]12CCOC2 ZINC000421021273 394468285 /nfs/dbraw/zinc/46/82/85/394468285.db2.gz OJGGOWFWCUGVKN-HNNXBMFYSA-N 1 2 292.335 2.358 20 5 CEBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@]12CCOC2 ZINC000421021273 394468288 /nfs/dbraw/zinc/46/82/88/394468288.db2.gz OJGGOWFWCUGVKN-HNNXBMFYSA-N 1 2 292.335 2.358 20 5 CEBDLO CC[C@H](O)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413302202 394521741 /nfs/dbraw/zinc/52/17/41/394521741.db2.gz MDIBUEIHMDFQQC-NSHDSACASA-N 1 2 261.281 2.326 20 5 CEBDLO Cc1c[nH+]ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000112496764 394744643 /nfs/dbraw/zinc/74/46/43/394744643.db2.gz KJPXNJVMOSITCR-UHFFFAOYSA-N 1 2 293.304 2.099 20 5 CEBDLO Cc1nonc1C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271714910 394761922 /nfs/dbraw/zinc/76/19/22/394761922.db2.gz JVFMYZKKPBHPHG-MRVPVSSYSA-N 1 2 262.269 2.137 20 5 CEBDLO CCOc1cccc(N(C)Cc2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000428118998 395136676 /nfs/dbraw/zinc/13/66/76/395136676.db2.gz HDGQJMNTDYQGRC-UHFFFAOYSA-N 1 2 276.296 2.353 20 5 CEBDLO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCn2ccnc21 ZINC000294299571 395271769 /nfs/dbraw/zinc/27/17/69/395271769.db2.gz ZSPCAPYOLKHONJ-NSHDSACASA-N 1 2 258.281 2.026 20 5 CEBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000420933671 395439449 /nfs/dbraw/zinc/43/94/49/395439449.db2.gz HXHCHVMRCUHFAX-SMDDNHRTSA-N 1 2 294.351 2.128 20 5 CEBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000420933671 395439455 /nfs/dbraw/zinc/43/94/55/395439455.db2.gz HXHCHVMRCUHFAX-SMDDNHRTSA-N 1 2 294.351 2.128 20 5 CEBDLO CCOc1cc(C[N@H+](CC)C2COC2)ccc1[N+](=O)[O-] ZINC000451281848 395602825 /nfs/dbraw/zinc/60/28/25/395602825.db2.gz ANXOGNSMBURUGR-UHFFFAOYSA-N 1 2 280.324 2.214 20 5 CEBDLO CCOc1cc(C[N@@H+](CC)C2COC2)ccc1[N+](=O)[O-] ZINC000451281848 395602827 /nfs/dbraw/zinc/60/28/27/395602827.db2.gz ANXOGNSMBURUGR-UHFFFAOYSA-N 1 2 280.324 2.214 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(C)CC1 ZINC000182634769 292295867 /nfs/dbraw/zinc/29/58/67/292295867.db2.gz ZPQWDQSBIUCAIL-LBPRGKRZSA-N 1 2 263.341 2.212 20 5 CEBDLO CCCOC(=O)[C@@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285233131 196228138 /nfs/dbraw/zinc/22/81/38/196228138.db2.gz GAKSRDSFGGFTQO-GFCCVEGCSA-N 1 2 294.351 2.411 20 5 CEBDLO CCCOC(=O)[C@@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285233131 196228139 /nfs/dbraw/zinc/22/81/39/196228139.db2.gz GAKSRDSFGGFTQO-GFCCVEGCSA-N 1 2 294.351 2.411 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1ccon1 ZINC000430219586 271362963 /nfs/dbraw/zinc/36/29/63/271362963.db2.gz ADQXJIWACNOZMD-SECBINFHSA-N 1 2 277.280 2.442 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@H](C)[C@H]1C ZINC000430217959 271363488 /nfs/dbraw/zinc/36/34/88/271363488.db2.gz MHQRSKWVTZIGKM-GHMZBOCLSA-N 1 2 280.324 2.213 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@H](C)[C@H]1C ZINC000430217959 271363492 /nfs/dbraw/zinc/36/34/92/271363492.db2.gz MHQRSKWVTZIGKM-GHMZBOCLSA-N 1 2 280.324 2.213 20 5 CEBDLO O=[N+]([O-])c1ccc(N2CCCC[NH2+]2)c2ncccc12 ZINC000289232575 280366123 /nfs/dbraw/zinc/36/61/23/280366123.db2.gz YJPCGXDOFWXONM-UHFFFAOYSA-N 1 2 258.281 2.248 20 5 CEBDLO C[C@@]1(F)CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000347369799 289186482 /nfs/dbraw/zinc/18/64/82/289186482.db2.gz FIQWWAMPJVFXCQ-CQSZACIVSA-N 1 2 296.298 2.395 20 5 CEBDLO C[C@@]1(F)CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000347369799 289186485 /nfs/dbraw/zinc/18/64/85/289186485.db2.gz FIQWWAMPJVFXCQ-CQSZACIVSA-N 1 2 296.298 2.395 20 5 CEBDLO CC[C@@H](O)Cn1cc[nH+]c1-c1ccc([N+](=O)[O-])cc1 ZINC000156525540 289197100 /nfs/dbraw/zinc/19/71/00/289197100.db2.gz BBXRNPMDRAWXTO-GFCCVEGCSA-N 1 2 261.281 2.229 20 5 CEBDLO C[C@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1nncn1C ZINC000093632874 289981199 /nfs/dbraw/zinc/98/11/99/289981199.db2.gz VVZMYKNDCDRELF-QMMMGPOBSA-N 1 2 295.730 2.228 20 5 CEBDLO CC(C)(C)c1nnc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)[nH]1 ZINC000459697411 290211677 /nfs/dbraw/zinc/21/16/77/290211677.db2.gz ICPXINZSHAGMLQ-UHFFFAOYSA-N 1 2 289.339 2.300 20 5 CEBDLO O=[N+]([O-])c1cnc2ccccc2c1N1CCn2c[nH+]cc2C1 ZINC000488002794 290373742 /nfs/dbraw/zinc/37/37/42/290373742.db2.gz ZZJVQEBUTIIVMM-UHFFFAOYSA-N 1 2 295.302 2.360 20 5 CEBDLO CC[C@@H]([NH2+]CC(F)(F)CO)c1cccc([N+](=O)[O-])c1 ZINC000184709482 522818177 /nfs/dbraw/zinc/81/81/77/522818177.db2.gz JPWDMSYXJVALOU-LLVKDONJSA-N 1 2 274.267 2.263 20 5 CEBDLO CCC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(=O)OCC ZINC000097988260 528220219 /nfs/dbraw/zinc/22/02/19/528220219.db2.gz JWDKGDYREVEMLV-AWEZNQCLSA-N 1 2 294.351 2.459 20 5 CEBDLO COc1c(O)ccc(C[N@@H+]2CCSC[C@H]2C)c1[N+](=O)[O-] ZINC000892046484 624273115 /nfs/dbraw/zinc/27/31/15/624273115.db2.gz RGJKLANQNZQSJR-SECBINFHSA-N 1 2 298.364 2.246 20 5 CEBDLO COc1c(O)ccc(C[N@H+]2CCSC[C@H]2C)c1[N+](=O)[O-] ZINC000892046484 624273119 /nfs/dbraw/zinc/27/31/19/624273119.db2.gz RGJKLANQNZQSJR-SECBINFHSA-N 1 2 298.364 2.246 20 5 CEBDLO Cn1ncc([N+](=O)[O-])c1NCCCCNc1cccc[nH+]1 ZINC000892271520 624578898 /nfs/dbraw/zinc/57/88/98/624578898.db2.gz SUSURINNTVFZEH-UHFFFAOYSA-N 1 2 290.327 2.028 20 5 CEBDLO O=[N+]([O-])c1ccnn1C[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000176824539 625075211 /nfs/dbraw/zinc/07/52/11/625075211.db2.gz AWFBIPRIGQYNLJ-WDEREUQCSA-N 1 2 282.369 2.109 20 5 CEBDLO O=[N+]([O-])c1ccnn1C[N@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000176824539 625075218 /nfs/dbraw/zinc/07/52/18/625075218.db2.gz AWFBIPRIGQYNLJ-WDEREUQCSA-N 1 2 282.369 2.109 20 5 CEBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1CCC(=O)O1 ZINC000821391907 634707924 /nfs/dbraw/zinc/70/79/24/634707924.db2.gz SLQGNFBMWUMSRY-LLVKDONJSA-N 1 2 298.726 2.386 20 5 CEBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1CCC(=O)O1 ZINC000821391907 634707931 /nfs/dbraw/zinc/70/79/31/634707931.db2.gz SLQGNFBMWUMSRY-LLVKDONJSA-N 1 2 298.726 2.386 20 5 CEBDLO Cc1ccc(C[NH2+][C@@H]2CCn3ccnc32)cc1[N+](=O)[O-] ZINC000824522604 635441149 /nfs/dbraw/zinc/44/11/49/635441149.db2.gz YITHEOITYOXUFD-GFCCVEGCSA-N 1 2 272.308 2.334 20 5 CEBDLO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cnn(C)n1 ZINC000924800571 635708328 /nfs/dbraw/zinc/70/83/28/635708328.db2.gz YXMWPIKEYWAGRT-VHSXEESVSA-N 1 2 275.312 2.135 20 5 CEBDLO CC[C@@H](C)[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000905760817 636447119 /nfs/dbraw/zinc/44/71/19/636447119.db2.gz LPNXKEOSJDAQAP-BXUZGUMPSA-N 1 2 294.351 2.315 20 5 CEBDLO O=[N+]([O-])c1c(NCCNc2cccc[nH+]2)nc2ccccn21 ZINC000029845516 639973632 /nfs/dbraw/zinc/97/36/32/639973632.db2.gz GQZQBTOXDOMCMB-UHFFFAOYSA-N 1 2 298.306 2.162 20 5 CEBDLO CC[NH2+]Cc1noc(Cc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000843141815 640303039 /nfs/dbraw/zinc/30/30/39/640303039.db2.gz UPSVGOMRXXTUKL-UHFFFAOYSA-N 1 2 296.714 2.332 20 5 CEBDLO O=C(C[N@@H+]1CC[C@H]2C[C@H]21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000761086028 645236115 /nfs/dbraw/zinc/23/61/15/645236115.db2.gz BLWOUPYPMBKVQV-GZMMTYOYSA-N 1 2 295.726 2.281 20 5 CEBDLO O=C(C[N@H+]1CC[C@H]2C[C@H]21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000761086028 645236119 /nfs/dbraw/zinc/23/61/19/645236119.db2.gz BLWOUPYPMBKVQV-GZMMTYOYSA-N 1 2 295.726 2.281 20 5 CEBDLO O=[N+]([O-])c1cnn(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)c1 ZINC000766094058 645846029 /nfs/dbraw/zinc/84/60/29/645846029.db2.gz UONVAQQHXKOEDR-QMMMGPOBSA-N 1 2 278.234 2.023 20 5 CEBDLO O=[N+]([O-])c1cnn(C[N@H+]2CC[C@@H](CC(F)(F)F)C2)c1 ZINC000766094058 645846047 /nfs/dbraw/zinc/84/60/47/645846047.db2.gz UONVAQQHXKOEDR-QMMMGPOBSA-N 1 2 278.234 2.023 20 5 CEBDLO C[C@H]1CCOCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000775572579 646967524 /nfs/dbraw/zinc/96/75/24/646967524.db2.gz VXNIVWQZJJEHAP-JTQLQIEISA-N 1 2 268.288 2.345 20 5 CEBDLO C[C@H]1CCOCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000775572579 646967525 /nfs/dbraw/zinc/96/75/25/646967525.db2.gz VXNIVWQZJJEHAP-JTQLQIEISA-N 1 2 268.288 2.345 20 5 CEBDLO CCCn1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000865418366 647283742 /nfs/dbraw/zinc/28/37/42/647283742.db2.gz IMMQFOYSPYMVLH-LLVKDONJSA-N 1 2 289.339 2.447 20 5 CEBDLO C[C@@H]([NH2+][C@H]1CCCN(C)C1=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872040495 649250689 /nfs/dbraw/zinc/25/06/89/649250689.db2.gz LVEKGIFQWNJTGI-KOLCDFICSA-N 1 2 295.314 2.005 20 5 CEBDLO Nc1cc(CNc2cc(F)cc(F)c2[N+](=O)[O-])cc[nH+]1 ZINC001167617069 803204065 /nfs/dbraw/zinc/20/40/65/803204065.db2.gz FXVWMQDMOJVSKF-UHFFFAOYSA-N 1 2 280.234 2.462 20 5 CEBDLO C[C@H]([NH2+]CC[N+](=O)[O-])c1nc(C(C)(C)C)cs1 ZINC001119734302 815155245 /nfs/dbraw/zinc/15/52/45/815155245.db2.gz DMNLPIUOCGFISV-QMMMGPOBSA-N 1 2 257.359 2.368 20 5 CEBDLO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC(F)(F)C(F)(F)F)C1 ZINC001168966141 811319228 /nfs/dbraw/zinc/31/92/28/811319228.db2.gz GNJLQPGSRQMVOR-NKWVEPMBSA-N 1 2 276.205 2.219 20 5 CEBDLO CCN(CCn1cc[nH+]c1)c1nc(C)cc(C)c1[N+](=O)[O-] ZINC001157462552 812163787 /nfs/dbraw/zinc/16/37/87/812163787.db2.gz NHPBATXMIKCAMR-UHFFFAOYSA-N 1 2 289.339 2.330 20 5 CEBDLO COc1ccc(C[C@H](C)[NH2+]CC(F)F)c([N+](=O)[O-])c1 ZINC001170299694 812377076 /nfs/dbraw/zinc/37/70/76/812377076.db2.gz VKIZGLAXMOMCHR-QMMMGPOBSA-N 1 2 274.267 2.389 20 5 CEBDLO CCOC(=O)[C@H](C)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173218152 815625084 /nfs/dbraw/zinc/62/50/84/815625084.db2.gz OOUVSSVFXBIFKL-MNOVXSKESA-N 1 2 280.324 2.067 20 5 CEBDLO O=C(Nc1c[nH+]ccc1-n1cccn1)c1ccc([N+](=O)[O-])o1 ZINC000337595337 214174254 /nfs/dbraw/zinc/17/42/54/214174254.db2.gz CRDDVVXHXBQPBS-UHFFFAOYSA-N 1 2 299.246 2.021 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492857012 290664941 /nfs/dbraw/zinc/66/49/41/290664941.db2.gz JNRSJJJRYUTCFV-HWKANZROSA-N 1 2 272.264 2.278 20 5 CEBDLO CCCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000060996945 343664912 /nfs/dbraw/zinc/66/49/12/343664912.db2.gz PNVUJPAUAOKWAV-UHFFFAOYSA-N 1 2 297.380 2.214 20 5 CEBDLO CC(C)OC(=O)[C@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449667188 282323612 /nfs/dbraw/zinc/32/36/12/282323612.db2.gz QRFAKLXSOGSQPR-RYUDHWBXSA-N 1 2 294.351 2.456 20 5 CEBDLO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093482063 344225414 /nfs/dbraw/zinc/22/54/14/344225414.db2.gz ZQABMDDBNVOEGN-ZYHUDNBSSA-N 1 2 280.324 2.036 20 5 CEBDLO C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093482063 344225415 /nfs/dbraw/zinc/22/54/15/344225415.db2.gz ZQABMDDBNVOEGN-ZYHUDNBSSA-N 1 2 280.324 2.036 20 5 CEBDLO Cn1cc(C[N@H+](C)Cc2cccc(F)c2)c([N+](=O)[O-])n1 ZINC000602436132 347032243 /nfs/dbraw/zinc/03/22/43/347032243.db2.gz XFPCFYQAEXHCAR-UHFFFAOYSA-N 1 2 278.287 2.099 20 5 CEBDLO Cn1cc(C[N@@H+](C)Cc2cccc(F)c2)c([N+](=O)[O-])n1 ZINC000602436132 347032246 /nfs/dbraw/zinc/03/22/46/347032246.db2.gz XFPCFYQAEXHCAR-UHFFFAOYSA-N 1 2 278.287 2.099 20 5 CEBDLO Cn1cc(C[NH+]2CCC(C(F)(F)F)CC2)c([N+](=O)[O-])n1 ZINC000602437626 347032652 /nfs/dbraw/zinc/03/26/52/347032652.db2.gz IJSIKPBXZPJYKF-UHFFFAOYSA-N 1 2 292.261 2.103 20 5 CEBDLO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1[nH]cc[nH+]1 ZINC000139438819 344393899 /nfs/dbraw/zinc/39/38/99/344393899.db2.gz NSDXUHDFWQQVFC-SSDOTTSWSA-N 1 2 294.698 2.462 20 5 CEBDLO COc1c(C)[nH+]cnc1N(C)Cc1ccccc1[N+](=O)[O-] ZINC000594544000 345645213 /nfs/dbraw/zinc/64/52/13/345645213.db2.gz XIEXSVXDCJXISC-UHFFFAOYSA-N 1 2 288.307 2.338 20 5 CEBDLO C[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)c2ncnn21 ZINC000594957444 345716295 /nfs/dbraw/zinc/71/62/95/345716295.db2.gz PCMICIJDIHSCIK-PRHODGIISA-N 1 2 291.286 2.121 20 5 CEBDLO Cc1ccsc1[C@@H](CO)[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000595445915 345784762 /nfs/dbraw/zinc/78/47/62/345784762.db2.gz IXUGJURGQDLFLS-SECBINFHSA-N 1 2 297.336 2.084 20 5 CEBDLO Cc1noc(C[NH+]2CC(C)(C)OC(C)(C)C2)c1[N+](=O)[O-] ZINC000595460892 345789278 /nfs/dbraw/zinc/78/92/78/345789278.db2.gz RWNTZEGLTDQRLF-UHFFFAOYSA-N 1 2 283.328 2.281 20 5 CEBDLO Cc1noc(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1[N+](=O)[O-] ZINC000595501620 345797737 /nfs/dbraw/zinc/79/77/37/345797737.db2.gz WXRIBQAXOXDEJE-KOLCDFICSA-N 1 2 287.266 2.368 20 5 CEBDLO Cc1noc(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1[N+](=O)[O-] ZINC000595501620 345797742 /nfs/dbraw/zinc/79/77/42/345797742.db2.gz WXRIBQAXOXDEJE-KOLCDFICSA-N 1 2 287.266 2.368 20 5 CEBDLO O=[N+]([O-])c1cnc(NCC2CC[NH+](CC3CC3)CC2)s1 ZINC000596561385 346055538 /nfs/dbraw/zinc/05/55/38/346055538.db2.gz ADUFWXAUQMCWKY-UHFFFAOYSA-N 1 2 296.396 2.007 20 5 CEBDLO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@@H+]1CCc2n[nH]nc2C1 ZINC000597250029 346162215 /nfs/dbraw/zinc/16/22/15/346162215.db2.gz QMSICAMYSFXAME-XFFZJAGNSA-N 1 2 299.334 2.175 20 5 CEBDLO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@H+]1CCc2n[nH]nc2C1 ZINC000597250029 346162216 /nfs/dbraw/zinc/16/22/16/346162216.db2.gz QMSICAMYSFXAME-XFFZJAGNSA-N 1 2 299.334 2.175 20 5 CEBDLO O=C(CC[C@@H]1CCC[NH2+]C1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000598665251 346396414 /nfs/dbraw/zinc/39/64/14/346396414.db2.gz NVFWBLMAAUOQOE-JTQLQIEISA-N 1 2 293.323 2.019 20 5 CEBDLO CC[C@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@@H]1O ZINC000599063766 346454043 /nfs/dbraw/zinc/45/40/43/346454043.db2.gz HBYDKWXHNXCFNN-HZMBPMFUSA-N 1 2 287.319 2.350 20 5 CEBDLO CC(C)(CNc1ccc([N+](=O)[O-])nc1)n1cc[nH+]c1 ZINC000601197741 346784268 /nfs/dbraw/zinc/78/42/68/346784268.db2.gz DLNPUIJQOXRALU-UHFFFAOYSA-N 1 2 261.285 2.034 20 5 CEBDLO CC1(O)C[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000602687804 347147411 /nfs/dbraw/zinc/14/74/11/347147411.db2.gz CNOSBFHKPOPNKV-UHFFFAOYSA-N 1 2 288.303 2.421 20 5 CEBDLO COCc1cc[nH+]c(NCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000602706312 347160889 /nfs/dbraw/zinc/16/08/89/347160889.db2.gz NTHFFEOYELFSTN-UHFFFAOYSA-N 1 2 287.319 2.213 20 5 CEBDLO CCN(C#N)CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000602800248 347204126 /nfs/dbraw/zinc/20/41/26/347204126.db2.gz XIUFPMTXNINLEE-UHFFFAOYSA-N 1 2 288.351 2.362 20 5 CEBDLO CCN(C#N)CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000602800248 347204130 /nfs/dbraw/zinc/20/41/30/347204130.db2.gz XIUFPMTXNINLEE-UHFFFAOYSA-N 1 2 288.351 2.362 20 5 CEBDLO COc1ccc(C[N@@H+]2CCOCC2(C)C)cc1[N+](=O)[O-] ZINC000064248186 362782874 /nfs/dbraw/zinc/78/28/74/362782874.db2.gz YYHIUAZMFZEGPU-UHFFFAOYSA-N 1 2 280.324 2.214 20 5 CEBDLO COc1ccc(C[N@H+]2CCOCC2(C)C)cc1[N+](=O)[O-] ZINC000064248186 362782878 /nfs/dbraw/zinc/78/28/78/362782878.db2.gz YYHIUAZMFZEGPU-UHFFFAOYSA-N 1 2 280.324 2.214 20 5 CEBDLO CC[C@@]1(O)CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000602740966 347181323 /nfs/dbraw/zinc/18/13/23/347181323.db2.gz SOEQTBSGEUZESR-CQSZACIVSA-N 1 2 280.324 2.037 20 5 CEBDLO CC[C@@]1(O)CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000602740966 347181326 /nfs/dbraw/zinc/18/13/26/347181326.db2.gz SOEQTBSGEUZESR-CQSZACIVSA-N 1 2 280.324 2.037 20 5 CEBDLO O=C(CCCn1cc[nH+]c1)Nc1cccc([N+](=O)[O-])c1 ZINC000604453353 347416487 /nfs/dbraw/zinc/41/64/87/347416487.db2.gz WLEMMMGXAVJLKG-UHFFFAOYSA-N 1 2 274.280 2.210 20 5 CEBDLO CN(C)c1[nH+]cccc1CNc1cccnc1[N+](=O)[O-] ZINC000603855278 347392201 /nfs/dbraw/zinc/39/22/01/347392201.db2.gz QWPWXINDROHGOO-UHFFFAOYSA-N 1 2 273.296 2.063 20 5 CEBDLO CC[C@@]1(O)CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000351836171 219221065 /nfs/dbraw/zinc/22/10/65/219221065.db2.gz PSCYOYAZRKJILK-CYBMUJFWSA-N 1 2 286.278 2.220 20 5 CEBDLO CC[C@@]1(O)CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000351836171 219221068 /nfs/dbraw/zinc/22/10/68/219221068.db2.gz PSCYOYAZRKJILK-CYBMUJFWSA-N 1 2 286.278 2.220 20 5 CEBDLO O=C(C[N@@H+]1C[C@@H]2CCC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000610585470 347694269 /nfs/dbraw/zinc/69/42/69/347694269.db2.gz PNTSSCONHJKPIG-CMPLNLGQSA-N 1 2 275.308 2.018 20 5 CEBDLO O=C(C[N@H+]1C[C@@H]2CCC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000610585470 347694272 /nfs/dbraw/zinc/69/42/72/347694272.db2.gz PNTSSCONHJKPIG-CMPLNLGQSA-N 1 2 275.308 2.018 20 5 CEBDLO CO[C@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000611984179 347831531 /nfs/dbraw/zinc/83/15/31/347831531.db2.gz PDLCLODNCKEJJI-ZDUSSCGKSA-N 1 2 280.324 2.301 20 5 CEBDLO CN(C)c1cc[nH+]c(NC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000612346104 347872339 /nfs/dbraw/zinc/87/23/39/347872339.db2.gz FKAWKPZDKYUMAU-UHFFFAOYSA-N 1 2 286.291 2.308 20 5 CEBDLO O=C(Cc1ccccc1[N+](=O)[O-])Nc1cccc2[nH+]ccn21 ZINC000357454125 233074283 /nfs/dbraw/zinc/07/42/83/233074283.db2.gz OGRFVDKZCZMPML-UHFFFAOYSA-N 1 2 296.286 2.424 20 5 CEBDLO CCc1noc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000619785408 349236726 /nfs/dbraw/zinc/23/67/26/349236726.db2.gz GPEVMKPCGIYPBC-UHFFFAOYSA-N 1 2 290.323 2.215 20 5 CEBDLO CCc1noc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000619785408 349236729 /nfs/dbraw/zinc/23/67/29/349236729.db2.gz GPEVMKPCGIYPBC-UHFFFAOYSA-N 1 2 290.323 2.215 20 5 CEBDLO Cc1c(C[N@@H+]2CCO[C@@H](CF)C2)cccc1[N+](=O)[O-] ZINC000411863974 233291867 /nfs/dbraw/zinc/29/18/67/233291867.db2.gz STPNGMMBJWHBKL-LBPRGKRZSA-N 1 2 268.288 2.074 20 5 CEBDLO Cc1c(C[N@H+]2CCO[C@@H](CF)C2)cccc1[N+](=O)[O-] ZINC000411863974 233291868 /nfs/dbraw/zinc/29/18/68/233291868.db2.gz STPNGMMBJWHBKL-LBPRGKRZSA-N 1 2 268.288 2.074 20 5 CEBDLO Cc1c[nH+]ccc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000107285137 186165886 /nfs/dbraw/zinc/16/58/86/186165886.db2.gz DHXWPQXOQAIIIY-UHFFFAOYSA-N 1 2 290.254 2.272 20 5 CEBDLO COCC[C@@H]1COCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000291299573 197982163 /nfs/dbraw/zinc/98/21/63/197982163.db2.gz RZKMVMFAGWPDIF-CQSZACIVSA-N 1 2 294.351 2.141 20 5 CEBDLO COCC[C@@H]1COCC[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000291299573 197982165 /nfs/dbraw/zinc/98/21/65/197982165.db2.gz RZKMVMFAGWPDIF-CQSZACIVSA-N 1 2 294.351 2.141 20 5 CEBDLO CCn1cc[nH+]c1[C@@H](C)Nc1ccc([N+](=O)[O-])nc1 ZINC000450824565 282788103 /nfs/dbraw/zinc/78/81/03/282788103.db2.gz DDZXIMOMGQHFSI-SECBINFHSA-N 1 2 261.285 2.379 20 5 CEBDLO COC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000073022615 363192224 /nfs/dbraw/zinc/19/22/24/363192224.db2.gz WQHTWHZGNASDNS-CYBMUJFWSA-N 1 2 278.308 2.122 20 5 CEBDLO COC(=O)[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000073022615 363192227 /nfs/dbraw/zinc/19/22/27/363192227.db2.gz WQHTWHZGNASDNS-CYBMUJFWSA-N 1 2 278.308 2.122 20 5 CEBDLO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000156181206 188248070 /nfs/dbraw/zinc/24/80/70/188248070.db2.gz UMFRGDFIMPESGH-MNOVXSKESA-N 1 2 250.298 2.204 20 5 CEBDLO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000156181206 188248071 /nfs/dbraw/zinc/24/80/71/188248071.db2.gz UMFRGDFIMPESGH-MNOVXSKESA-N 1 2 250.298 2.204 20 5 CEBDLO CC1(C)C[N@H+](Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000073872145 363261760 /nfs/dbraw/zinc/26/17/60/363261760.db2.gz FOZOFEJLOMOXFV-UHFFFAOYSA-N 1 2 250.298 2.206 20 5 CEBDLO CC1(C)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000073872145 363261771 /nfs/dbraw/zinc/26/17/71/363261771.db2.gz FOZOFEJLOMOXFV-UHFFFAOYSA-N 1 2 250.298 2.206 20 5 CEBDLO Cc1cc(C)c([N+](=O)[O-])c(SC[C@@H]2C[N@H+](C)CCO2)n1 ZINC000575395528 366275721 /nfs/dbraw/zinc/27/57/21/366275721.db2.gz DDCLYMOVMQXTMK-NSHDSACASA-N 1 2 297.380 2.029 20 5 CEBDLO Cc1cc(C)c([N+](=O)[O-])c(SC[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000575395528 366275731 /nfs/dbraw/zinc/27/57/31/366275731.db2.gz DDCLYMOVMQXTMK-NSHDSACASA-N 1 2 297.380 2.029 20 5 CEBDLO O=[N+]([O-])c1cccc(OCC[NH+]2CC(C(F)(F)F)C2)c1 ZINC000578698075 366534167 /nfs/dbraw/zinc/53/41/67/366534167.db2.gz DRHVJZZEXSIGHA-UHFFFAOYSA-N 1 2 290.241 2.468 20 5 CEBDLO C[C@@H]1CCC[C@@H](CO)[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339040355 366627883 /nfs/dbraw/zinc/62/78/83/366627883.db2.gz BBJUCOVJXZAXSE-PWSUYJOCSA-N 1 2 280.324 2.036 20 5 CEBDLO C[C@@H]1CCC[C@@H](CO)[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339040355 366627886 /nfs/dbraw/zinc/62/78/86/366627886.db2.gz BBJUCOVJXZAXSE-PWSUYJOCSA-N 1 2 280.324 2.036 20 5 CEBDLO CO[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339091996 366649381 /nfs/dbraw/zinc/64/93/81/366649381.db2.gz RAVVFUNZUGHZPD-TZMCWYRMSA-N 1 2 280.324 2.348 20 5 CEBDLO O=[N+]([O-])c1cccnc1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000301657851 201120203 /nfs/dbraw/zinc/12/02/03/201120203.db2.gz VZYHCBREIMSIDC-GFCCVEGCSA-N 1 2 286.291 2.043 20 5 CEBDLO C[C@@H](CNc1sccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000302030075 201307774 /nfs/dbraw/zinc/30/77/74/201307774.db2.gz RRQIUUXMQCFUHB-JTQLQIEISA-N 1 2 285.369 2.037 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000084726429 363822153 /nfs/dbraw/zinc/82/21/53/363822153.db2.gz DHEJTSNGSPKOKB-LBPRGKRZSA-N 1 2 279.340 2.036 20 5 CEBDLO O=[N+]([O-])c1ccc(-c2[nH+]ccn2CC2(O)CCC2)cc1 ZINC000341387612 367314647 /nfs/dbraw/zinc/31/46/47/367314647.db2.gz GNNURDBCMNEJHM-UHFFFAOYSA-N 1 2 273.292 2.373 20 5 CEBDLO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])s2)C[C@H]1C ZINC000345901040 368476028 /nfs/dbraw/zinc/47/60/28/368476028.db2.gz HMRCOMHZLAJIQG-ZJUUUORDSA-N 1 2 297.380 2.211 20 5 CEBDLO CC[N@H+]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])s2)C[C@H]1C ZINC000345901040 368476032 /nfs/dbraw/zinc/47/60/32/368476032.db2.gz HMRCOMHZLAJIQG-ZJUUUORDSA-N 1 2 297.380 2.211 20 5 CEBDLO Cc1c(C[N@@H+]2CCC[C@]23CCOC3=O)cccc1[N+](=O)[O-] ZINC000186666359 369015714 /nfs/dbraw/zinc/01/57/14/369015714.db2.gz MDTWHIJJNRSNKB-OAHLLOKOSA-N 1 2 290.319 2.185 20 5 CEBDLO Cc1c(C[N@H+]2CCC[C@]23CCOC3=O)cccc1[N+](=O)[O-] ZINC000186666359 369015719 /nfs/dbraw/zinc/01/57/19/369015719.db2.gz MDTWHIJJNRSNKB-OAHLLOKOSA-N 1 2 290.319 2.185 20 5 CEBDLO C[C@H]([NH2+][C@H](C(N)=O)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000340922427 299404892 /nfs/dbraw/zinc/40/48/92/299404892.db2.gz XHULNVXUSIQONU-NHYWBVRUSA-N 1 2 299.330 2.472 20 5 CEBDLO CC(C)[NH+]1CC(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000276439400 193331541 /nfs/dbraw/zinc/33/15/41/193331541.db2.gz VCNMFKPQQOSGFL-UHFFFAOYSA-N 1 2 297.742 2.071 20 5 CEBDLO CC[C@H]([NH2+]Cc1ncnn1CC)c1cccc([N+](=O)[O-])c1 ZINC000193526191 369951079 /nfs/dbraw/zinc/95/10/79/369951079.db2.gz IAWCLGGJGUZKMW-ZDUSSCGKSA-N 1 2 289.339 2.447 20 5 CEBDLO C[C@@H](c1ccco1)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355549918 370596265 /nfs/dbraw/zinc/59/62/65/370596265.db2.gz WJFBRQGVBIPOOR-VIFPVBQESA-N 1 2 264.285 2.114 20 5 CEBDLO C[C@@H](c1ccco1)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355549918 370596271 /nfs/dbraw/zinc/59/62/71/370596271.db2.gz WJFBRQGVBIPOOR-VIFPVBQESA-N 1 2 264.285 2.114 20 5 CEBDLO Nc1[nH+]cnc(NCc2ccccc2[N+](=O)[O-])c1Cl ZINC000236393051 370588592 /nfs/dbraw/zinc/58/85/92/370588592.db2.gz DGWSPXRSQZCSLM-UHFFFAOYSA-N 1 2 279.687 2.233 20 5 CEBDLO Nc1nc[nH+]c(NCc2ccccc2[N+](=O)[O-])c1Cl ZINC000236393051 370588596 /nfs/dbraw/zinc/58/85/96/370588596.db2.gz DGWSPXRSQZCSLM-UHFFFAOYSA-N 1 2 279.687 2.233 20 5 CEBDLO CCN(C)C(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000270936980 373023663 /nfs/dbraw/zinc/02/36/63/373023663.db2.gz VDYBECQYDUKTOB-UHFFFAOYSA-N 1 2 291.351 2.038 20 5 CEBDLO CCN(C)C(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000270936980 373023668 /nfs/dbraw/zinc/02/36/68/373023668.db2.gz VDYBECQYDUKTOB-UHFFFAOYSA-N 1 2 291.351 2.038 20 5 CEBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](Cc3cscn3)C2)c1 ZINC000369008719 373312257 /nfs/dbraw/zinc/31/22/57/373312257.db2.gz LJAKNCJOCLQXHI-LLVKDONJSA-N 1 2 293.352 2.085 20 5 CEBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](Cc3cscn3)C2)c1 ZINC000369008719 373312262 /nfs/dbraw/zinc/31/22/62/373312262.db2.gz LJAKNCJOCLQXHI-LLVKDONJSA-N 1 2 293.352 2.085 20 5 CEBDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000274937431 374101368 /nfs/dbraw/zinc/10/13/68/374101368.db2.gz DLLDZOVEIBUKLD-FZMZJTMJSA-N 1 2 292.335 2.368 20 5 CEBDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000274937431 374101374 /nfs/dbraw/zinc/10/13/74/374101374.db2.gz DLLDZOVEIBUKLD-FZMZJTMJSA-N 1 2 292.335 2.368 20 5 CEBDLO C[C@@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000280101257 375091026 /nfs/dbraw/zinc/09/10/26/375091026.db2.gz AMDMWVUBXHBTRC-ZWNOBZJWSA-N 1 2 298.364 2.036 20 5 CEBDLO C[C@@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000280101257 375091034 /nfs/dbraw/zinc/09/10/34/375091034.db2.gz AMDMWVUBXHBTRC-ZWNOBZJWSA-N 1 2 298.364 2.036 20 5 CEBDLO Cc1cc([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])nn1C ZINC000282155392 375415884 /nfs/dbraw/zinc/41/58/84/375415884.db2.gz LKPVNGRVCZVEKI-LLVKDONJSA-N 1 2 274.324 2.488 20 5 CEBDLO CC(=O)c1cc(N2CCn3c[nH+]cc3C2)ccc1[N+](=O)[O-] ZINC000290629466 376857611 /nfs/dbraw/zinc/85/76/11/376857611.db2.gz GZZJSAZIAZTTGZ-UHFFFAOYSA-N 1 2 286.291 2.014 20 5 CEBDLO C[C@@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@H]1C ZINC000293505450 377597045 /nfs/dbraw/zinc/59/70/45/377597045.db2.gz UTPVWFZVWQAWCX-ZJUUUORDSA-N 1 2 288.307 2.485 20 5 CEBDLO C[C@@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@H]1C ZINC000293505450 377597050 /nfs/dbraw/zinc/59/70/50/377597050.db2.gz UTPVWFZVWQAWCX-ZJUUUORDSA-N 1 2 288.307 2.485 20 5 CEBDLO Cc1cccnc1C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332532677 377628738 /nfs/dbraw/zinc/62/87/38/377628738.db2.gz SMTHZNXCOMIRFC-UHFFFAOYSA-N 1 2 284.319 2.252 20 5 CEBDLO Cc1cccnc1C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332532677 377628747 /nfs/dbraw/zinc/62/87/47/377628747.db2.gz SMTHZNXCOMIRFC-UHFFFAOYSA-N 1 2 284.319 2.252 20 5 CEBDLO Cc1c[nH+]ccc1CCN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000447685680 378131717 /nfs/dbraw/zinc/13/17/17/378131717.db2.gz AVBYRJVCSSIXHP-UHFFFAOYSA-N 1 2 297.318 2.251 20 5 CEBDLO CCCN(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000299463631 379006461 /nfs/dbraw/zinc/00/64/61/379006461.db2.gz YRVFUWQMCLQIBP-UHFFFAOYSA-N 1 2 288.307 2.263 20 5 CEBDLO Cc1cc(NCCNc2ccc([N+](=O)[O-])cc2)nc[nH+]1 ZINC000301223875 379223425 /nfs/dbraw/zinc/22/34/25/379223425.db2.gz CFRULGMYAWEZGT-UHFFFAOYSA-N 1 2 273.296 2.217 20 5 CEBDLO Nc1ccc(CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c[nH+]1 ZINC000302792763 379453246 /nfs/dbraw/zinc/45/32/46/379453246.db2.gz ZUSYZDLPUKGIGI-UHFFFAOYSA-N 1 2 289.251 2.092 20 5 CEBDLO C[C@@H]1C[N@H+](CCNc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000523462492 379596480 /nfs/dbraw/zinc/59/64/80/379596480.db2.gz ZLVXEKFJNKNMCF-SNVBAGLBSA-N 1 2 299.758 2.381 20 5 CEBDLO C[C@@H]1C[N@@H+](CCNc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000523462492 379596489 /nfs/dbraw/zinc/59/64/89/379596489.db2.gz ZLVXEKFJNKNMCF-SNVBAGLBSA-N 1 2 299.758 2.381 20 5 CEBDLO C[C@@H]1C[C@H](C)[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000548426357 380515908 /nfs/dbraw/zinc/51/59/08/380515908.db2.gz VKJHMKRERGUGEM-DTORHVGOSA-N 1 2 260.297 2.454 20 5 CEBDLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000548426357 380515910 /nfs/dbraw/zinc/51/59/10/380515910.db2.gz VKJHMKRERGUGEM-DTORHVGOSA-N 1 2 260.297 2.454 20 5 CEBDLO O=[N+]([O-])c1cc(Cl)ccc1N1CCn2c[nH+]cc2C1 ZINC000290717500 285090479 /nfs/dbraw/zinc/09/04/79/285090479.db2.gz OZJGPYYRXAZHCB-UHFFFAOYSA-N 1 2 278.699 2.465 20 5 CEBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@H](O)C1 ZINC000093097649 285116792 /nfs/dbraw/zinc/11/67/92/285116792.db2.gz UMXRIWKBGHCSKE-NSHDSACASA-N 1 2 270.716 2.205 20 5 CEBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@H](O)C1 ZINC000093097649 285116799 /nfs/dbraw/zinc/11/67/99/285116799.db2.gz UMXRIWKBGHCSKE-NSHDSACASA-N 1 2 270.716 2.205 20 5 CEBDLO CCN1CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000190182863 130070411 /nfs/dbraw/zinc/07/04/11/130070411.db2.gz NXIUSYADYPUKEQ-GFCCVEGCSA-N 1 2 291.351 2.210 20 5 CEBDLO CCN1CCC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000190182863 130070413 /nfs/dbraw/zinc/07/04/13/130070413.db2.gz NXIUSYADYPUKEQ-GFCCVEGCSA-N 1 2 291.351 2.210 20 5 CEBDLO C[C@H](CCO)Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413154148 394493284 /nfs/dbraw/zinc/49/32/84/394493284.db2.gz JFXMWFDDHPRVDU-SECBINFHSA-N 1 2 261.281 2.326 20 5 CEBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000575056858 395645227 /nfs/dbraw/zinc/64/52/27/395645227.db2.gz XGWBMQRFDGTJAP-CQSZACIVSA-N 1 2 294.376 2.303 20 5 CEBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000575056858 395645228 /nfs/dbraw/zinc/64/52/28/395645228.db2.gz XGWBMQRFDGTJAP-CQSZACIVSA-N 1 2 294.376 2.303 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCCN(C)C(=O)C1 ZINC000191100225 153157788 /nfs/dbraw/zinc/15/77/88/153157788.db2.gz GFEYBRWCDLHXLZ-GFCCVEGCSA-N 1 2 291.351 2.128 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCCN(C)C(=O)C1 ZINC000191100225 153157791 /nfs/dbraw/zinc/15/77/91/153157791.db2.gz GFEYBRWCDLHXLZ-GFCCVEGCSA-N 1 2 291.351 2.128 20 5 CEBDLO CC[C@@H](Nc1ncc([N+](=O)[O-])s1)c1[nH]cc[nH+]1 ZINC000226777044 153339395 /nfs/dbraw/zinc/33/93/95/153339395.db2.gz RAWKXPWGPZYGRC-ZCFIWIBFSA-N 1 2 253.287 2.338 20 5 CEBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CC(O)(C2CC2)C1 ZINC000375518978 157104901 /nfs/dbraw/zinc/10/49/01/157104901.db2.gz HDEJKNUBRUJDSI-SNVBAGLBSA-N 1 2 262.309 2.113 20 5 CEBDLO Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1[N+](=O)[O-] ZINC000376496263 157233146 /nfs/dbraw/zinc/23/31/46/157233146.db2.gz VXDSAJGPWQIFLP-BETUJISGSA-N 1 2 262.309 2.266 20 5 CEBDLO Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1[N+](=O)[O-] ZINC000376496263 157233150 /nfs/dbraw/zinc/23/31/50/157233150.db2.gz VXDSAJGPWQIFLP-BETUJISGSA-N 1 2 262.309 2.266 20 5 CEBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C1(CO)CC1 ZINC000285556885 196325240 /nfs/dbraw/zinc/32/52/40/196325240.db2.gz RFEXPHSOKOZULK-UHFFFAOYSA-N 1 2 270.716 2.205 20 5 CEBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C1(CO)CC1 ZINC000285556885 196325242 /nfs/dbraw/zinc/32/52/42/196325242.db2.gz RFEXPHSOKOZULK-UHFFFAOYSA-N 1 2 270.716 2.205 20 5 CEBDLO Cc1cc(-n2cc[nH+]c2)ccc1Cn1cc([N+](=O)[O-])cn1 ZINC000191558449 227037445 /nfs/dbraw/zinc/03/74/45/227037445.db2.gz WCBZBPZLPUNRSV-UHFFFAOYSA-N 1 2 283.291 2.334 20 5 CEBDLO Cn1cc(Cl)c(C[NH2+]Cc2ccccc2[N+](=O)[O-])n1 ZINC000393329149 270342548 /nfs/dbraw/zinc/34/25/48/270342548.db2.gz YKVCCWATBHIRMC-UHFFFAOYSA-N 1 2 280.715 2.272 20 5 CEBDLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000050050734 277086286 /nfs/dbraw/zinc/08/62/86/277086286.db2.gz ZTDLIOFFERFMDF-ZDUSSCGKSA-N 1 2 278.308 2.041 20 5 CEBDLO COC(=O)[C@@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000050050734 277086290 /nfs/dbraw/zinc/08/62/90/277086290.db2.gz ZTDLIOFFERFMDF-ZDUSSCGKSA-N 1 2 278.308 2.041 20 5 CEBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H]1CCCCO1)CCO2 ZINC000352620611 280370066 /nfs/dbraw/zinc/37/00/66/280370066.db2.gz GIWAOBXKSFILRN-AWEZNQCLSA-N 1 2 292.335 2.358 20 5 CEBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H]1CCCCO1)CCO2 ZINC000352620611 280370068 /nfs/dbraw/zinc/37/00/68/280370068.db2.gz GIWAOBXKSFILRN-AWEZNQCLSA-N 1 2 292.335 2.358 20 5 CEBDLO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000154120039 289135196 /nfs/dbraw/zinc/13/51/96/289135196.db2.gz KXMSQVKNLFKLEG-SNVBAGLBSA-N 1 2 297.380 2.069 20 5 CEBDLO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000154120039 289135197 /nfs/dbraw/zinc/13/51/97/289135197.db2.gz KXMSQVKNLFKLEG-SNVBAGLBSA-N 1 2 297.380 2.069 20 5 CEBDLO Cc1nc(N2CCC[C@H]2c2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000371599405 293296775 /nfs/dbraw/zinc/29/67/75/293296775.db2.gz WRXWOYBGAIXWJY-NSHDSACASA-N 1 2 273.296 2.363 20 5 CEBDLO C[C@H]1CSC[C@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339193136 300394090 /nfs/dbraw/zinc/39/40/90/300394090.db2.gz SFHAGRPEKCUZHX-GZMMTYOYSA-N 1 2 268.338 2.142 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000412077723 534349628 /nfs/dbraw/zinc/34/96/28/534349628.db2.gz JNWGFDLHUWQHRS-HUBLWGQQSA-N 1 2 294.351 2.046 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000412077723 534349632 /nfs/dbraw/zinc/34/96/32/534349632.db2.gz JNWGFDLHUWQHRS-HUBLWGQQSA-N 1 2 294.351 2.046 20 5 CEBDLO O=[N+]([O-])c1cnn(C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)c1 ZINC000176823787 625075476 /nfs/dbraw/zinc/07/54/76/625075476.db2.gz XGWOAUGMQXVCEL-NWDGAFQWSA-N 1 2 282.369 2.109 20 5 CEBDLO O=[N+]([O-])c1cnn(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)c1 ZINC000176823787 625075483 /nfs/dbraw/zinc/07/54/83/625075483.db2.gz XGWOAUGMQXVCEL-NWDGAFQWSA-N 1 2 282.369 2.109 20 5 CEBDLO CC[C@@H](C[NH+]1CCOCC1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000895804666 630355524 /nfs/dbraw/zinc/35/55/24/630355524.db2.gz UHPAWNLQBROJFZ-LBPRGKRZSA-N 1 2 297.330 2.257 20 5 CEBDLO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cn(C)nn2)cc1[N+](=O)[O-] ZINC000902874380 634866679 /nfs/dbraw/zinc/86/66/79/634866679.db2.gz FLFCREFPYQFLNZ-GHMZBOCLSA-N 1 2 289.339 2.444 20 5 CEBDLO Cc1ccc(NC(=O)CCC(C)(C)[N+](=O)[O-])c(N(C)C)[nH+]1 ZINC000827557945 636351657 /nfs/dbraw/zinc/35/16/57/636351657.db2.gz SZZHZIAPGIIGFX-UHFFFAOYSA-N 1 2 294.355 2.230 20 5 CEBDLO O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccc2[nH+]ccn21 ZINC000770055735 646352197 /nfs/dbraw/zinc/35/21/97/646352197.db2.gz ASFBHCPLRGYPQE-UHFFFAOYSA-N 1 2 282.259 2.495 20 5 CEBDLO Cc1ccc(C[NH2+]Cc2ncnn2C(C)C)cc1[N+](=O)[O-] ZINC000865787474 647464989 /nfs/dbraw/zinc/46/49/89/647464989.db2.gz NTHMANNPSFMNCE-UHFFFAOYSA-N 1 2 289.339 2.365 20 5 CEBDLO CN1CC[N@H+](Cc2ccccc2[N+](=O)[O-])Cc2cccnc21 ZINC000872265672 649333938 /nfs/dbraw/zinc/33/39/38/649333938.db2.gz VBEQMAXMACGLQQ-UHFFFAOYSA-N 1 2 298.346 2.442 20 5 CEBDLO CN1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])Cc2cccnc21 ZINC000872265672 649333942 /nfs/dbraw/zinc/33/39/42/649333942.db2.gz VBEQMAXMACGLQQ-UHFFFAOYSA-N 1 2 298.346 2.442 20 5 CEBDLO Cc1c(C[NH2+][C@@H]2C[C@@H](C)n3ncnc32)cccc1[N+](=O)[O-] ZINC000873135869 649566837 /nfs/dbraw/zinc/56/68/37/649566837.db2.gz OXQBGUSFEIESNC-BXKDBHETSA-N 1 2 287.323 2.290 20 5 CEBDLO CCO[C@@H]1C[C@@H]([N@H+](C)Cn2nccc2[N+](=O)[O-])C12CCC2 ZINC000127253823 651151332 /nfs/dbraw/zinc/15/13/32/651151332.db2.gz FQGIVYYRLAWCSY-VXGBXAGGSA-N 1 2 294.355 2.028 20 5 CEBDLO CCO[C@@H]1C[C@@H]([N@@H+](C)Cn2nccc2[N+](=O)[O-])C12CCC2 ZINC000127253823 651151334 /nfs/dbraw/zinc/15/13/34/651151334.db2.gz FQGIVYYRLAWCSY-VXGBXAGGSA-N 1 2 294.355 2.028 20 5 CEBDLO O=[N+]([O-])c1c(F)nccc1N1CCC(n2cc[nH+]c2)CC1 ZINC000881870883 651904610 /nfs/dbraw/zinc/90/46/10/651904610.db2.gz DAFCFDFPFVODQK-UHFFFAOYSA-N 1 2 291.286 2.167 20 5 CEBDLO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cn(C)cn1 ZINC000709961737 809977649 /nfs/dbraw/zinc/97/76/49/809977649.db2.gz HFAJTFAEXZGVMT-SNVBAGLBSA-N 1 2 260.297 2.179 20 5 CEBDLO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC(F)(F)C(F)(F)F)C1 ZINC001168966138 811318606 /nfs/dbraw/zinc/31/86/06/811318606.db2.gz GNJLQPGSRQMVOR-BQBZGAKWSA-N 1 2 276.205 2.219 20 5 CEBDLO C[C@@H](O)CCC[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001116738803 814878246 /nfs/dbraw/zinc/87/82/46/814878246.db2.gz NFZKNWRMTBAUFN-SNVBAGLBSA-N 1 2 250.298 2.071 20 5 CEBDLO C[C@@H](O)CCC[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001116738803 814878248 /nfs/dbraw/zinc/87/82/48/814878248.db2.gz NFZKNWRMTBAUFN-SNVBAGLBSA-N 1 2 250.298 2.071 20 5 CEBDLO Cc1cccnc1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001116826596 814885692 /nfs/dbraw/zinc/88/56/92/814885692.db2.gz KBDNFMXBZUMJBW-UHFFFAOYSA-N 1 2 297.318 2.464 20 5 CEBDLO COC(=O)[C@H]1CCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000124752944 187151822 /nfs/dbraw/zinc/15/18/22/187151822.db2.gz GOSGKOUFKRDZCC-BTKRWWFXSA-N 1 2 290.319 2.245 20 5 CEBDLO COC(=O)[C@H]1CCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000124752944 187151823 /nfs/dbraw/zinc/15/18/23/187151823.db2.gz GOSGKOUFKRDZCC-BTKRWWFXSA-N 1 2 290.319 2.245 20 5 CEBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC(=O)N1CCCC1 ZINC000050508327 343545258 /nfs/dbraw/zinc/54/52/58/343545258.db2.gz RCVNTQKDGNWBAI-LBPRGKRZSA-N 1 2 291.351 2.210 20 5 CEBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(=O)N1CCCC1 ZINC000050508327 343545261 /nfs/dbraw/zinc/54/52/61/343545261.db2.gz RCVNTQKDGNWBAI-LBPRGKRZSA-N 1 2 291.351 2.210 20 5 CEBDLO CN1CCCC[C@@H]([N@H+](C)Cc2csc([N+](=O)[O-])c2)C1=O ZINC000601971983 346947023 /nfs/dbraw/zinc/94/70/23/346947023.db2.gz YAXBJODVMCKWGB-LLVKDONJSA-N 1 2 297.380 2.099 20 5 CEBDLO CN1CCCC[C@@H]([N@@H+](C)Cc2csc([N+](=O)[O-])c2)C1=O ZINC000601971983 346947024 /nfs/dbraw/zinc/94/70/24/346947024.db2.gz YAXBJODVMCKWGB-LLVKDONJSA-N 1 2 297.380 2.099 20 5 CEBDLO COc1cc(NCCCn2cc[nH+]c2)c([N+](=O)[O-])cc1F ZINC000091424730 344162392 /nfs/dbraw/zinc/16/23/92/344162392.db2.gz KOZCLIANUHBFLZ-UHFFFAOYSA-N 1 2 294.286 2.441 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000140975954 344400027 /nfs/dbraw/zinc/40/00/27/344400027.db2.gz DUNDWVADGQOIMM-SECBINFHSA-N 1 2 274.280 2.117 20 5 CEBDLO C[C@@H]([NH2+]Cc1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000051923693 362451301 /nfs/dbraw/zinc/45/13/01/362451301.db2.gz KWSCPRMTPZEOBK-SNVBAGLBSA-N 1 2 260.297 2.179 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cc[nH+]cc1 ZINC000105565181 232193608 /nfs/dbraw/zinc/19/36/08/232193608.db2.gz DXSZAVWEQBIALV-UHFFFAOYSA-N 1 2 293.304 2.099 20 5 CEBDLO Cc1noc(C[N@H+]2C[C@H](C)OC3(CCCC3)C2)c1[N+](=O)[O-] ZINC000595570508 345816691 /nfs/dbraw/zinc/81/66/91/345816691.db2.gz WBFRWUKHWUEQBF-JTQLQIEISA-N 1 2 295.339 2.425 20 5 CEBDLO Cc1noc(C[N@@H+]2C[C@H](C)OC3(CCCC3)C2)c1[N+](=O)[O-] ZINC000595570508 345816694 /nfs/dbraw/zinc/81/66/94/345816694.db2.gz WBFRWUKHWUEQBF-JTQLQIEISA-N 1 2 295.339 2.425 20 5 CEBDLO Cc1noc(C[N@H+]2CCS[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000595319862 345761584 /nfs/dbraw/zinc/76/15/84/345761584.db2.gz DMFPVPVHFFZHCI-RKDXNWHRSA-N 1 2 271.342 2.217 20 5 CEBDLO Cc1noc(C[N@@H+]2CCS[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000595319862 345761587 /nfs/dbraw/zinc/76/15/87/345761587.db2.gz DMFPVPVHFFZHCI-RKDXNWHRSA-N 1 2 271.342 2.217 20 5 CEBDLO CN(Cc1[nH]cc[nH+]1)Cc1ccc([N+](=O)[O-])cc1F ZINC000595400412 345774273 /nfs/dbraw/zinc/77/42/73/345774273.db2.gz GJLOEECZCBQJTG-UHFFFAOYSA-N 1 2 264.260 2.089 20 5 CEBDLO C[C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000595780386 345874387 /nfs/dbraw/zinc/87/43/87/345874387.db2.gz KBOHZBJCEZYXEZ-MNOVXSKESA-N 1 2 280.324 2.300 20 5 CEBDLO C[C@@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000595780386 345874389 /nfs/dbraw/zinc/87/43/89/345874389.db2.gz KBOHZBJCEZYXEZ-MNOVXSKESA-N 1 2 280.324 2.300 20 5 CEBDLO CC[NH+]1CCN(c2cc(OC)c([N+](=O)[O-])cc2Cl)CC1 ZINC000596051624 345928177 /nfs/dbraw/zinc/92/81/77/345928177.db2.gz SUFYJAVCVKMUDY-UHFFFAOYSA-N 1 2 299.758 2.399 20 5 CEBDLO Cc1cc(NCC[N@@H+]2CCOC(C)(C)C2)c([N+](=O)[O-])s1 ZINC000596101170 345940263 /nfs/dbraw/zinc/94/02/63/345940263.db2.gz CTXLXZXBLKCJQI-UHFFFAOYSA-N 1 2 299.396 2.487 20 5 CEBDLO Cc1cc(NCC[N@H+]2CCOC(C)(C)C2)c([N+](=O)[O-])s1 ZINC000596101170 345940266 /nfs/dbraw/zinc/94/02/66/345940266.db2.gz CTXLXZXBLKCJQI-UHFFFAOYSA-N 1 2 299.396 2.487 20 5 CEBDLO Cc1cc(NCC[N@H+]2CCOC[C@H]2C)c([N+](=O)[O-])s1 ZINC000596112637 345942769 /nfs/dbraw/zinc/94/27/69/345942769.db2.gz CNQRSWNSGJXKHS-SECBINFHSA-N 1 2 285.369 2.097 20 5 CEBDLO Cc1cc(NCC[N@@H+]2CCOC[C@H]2C)c([N+](=O)[O-])s1 ZINC000596112637 345942771 /nfs/dbraw/zinc/94/27/71/345942771.db2.gz CNQRSWNSGJXKHS-SECBINFHSA-N 1 2 285.369 2.097 20 5 CEBDLO Cc1cc(SC[C@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])s1 ZINC000596286791 345991513 /nfs/dbraw/zinc/99/15/13/345991513.db2.gz VUKSAUQVRRQTHQ-SECBINFHSA-N 1 2 288.394 2.387 20 5 CEBDLO Cc1cc(SC[C@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])s1 ZINC000596286791 345991515 /nfs/dbraw/zinc/99/15/15/345991515.db2.gz VUKSAUQVRRQTHQ-SECBINFHSA-N 1 2 288.394 2.387 20 5 CEBDLO Cc1cc(NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)c([N+](=O)[O-])s1 ZINC000596433993 346022462 /nfs/dbraw/zinc/02/24/62/346022462.db2.gz WCNXOMWLJMVEGM-VHSXEESVSA-N 1 2 299.396 2.486 20 5 CEBDLO Cc1cc(NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)c([N+](=O)[O-])s1 ZINC000596433993 346022465 /nfs/dbraw/zinc/02/24/65/346022465.db2.gz WCNXOMWLJMVEGM-VHSXEESVSA-N 1 2 299.396 2.486 20 5 CEBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1C[C@@H]2COC[C@@H]2C1 ZINC000599074765 346456464 /nfs/dbraw/zinc/45/64/64/346456464.db2.gz OHCVRSUXRJXTCD-TXEJJXNPSA-N 1 2 285.303 2.226 20 5 CEBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCO[C@H](CF)C1 ZINC000599085780 346457993 /nfs/dbraw/zinc/45/79/93/346457993.db2.gz CTNLHTLBHWQQHJ-LLVKDONJSA-N 1 2 291.282 2.318 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@@H](CCF)C2)cc1 ZINC000599642585 346551907 /nfs/dbraw/zinc/55/19/07/346551907.db2.gz NBZNCQZAOUYNDZ-ZDUSSCGKSA-N 1 2 268.288 2.155 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@@H](CCF)C2)cc1 ZINC000599642585 346551908 /nfs/dbraw/zinc/55/19/08/346551908.db2.gz NBZNCQZAOUYNDZ-ZDUSSCGKSA-N 1 2 268.288 2.155 20 5 CEBDLO COC[C@@]1(C)C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CCO1 ZINC000600212573 346623853 /nfs/dbraw/zinc/62/38/53/346623853.db2.gz GHUCTTMWCQDCAF-OAHLLOKOSA-N 1 2 294.351 2.141 20 5 CEBDLO COC[C@@]1(C)C[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CCO1 ZINC000600212573 346623856 /nfs/dbraw/zinc/62/38/56/346623856.db2.gz GHUCTTMWCQDCAF-OAHLLOKOSA-N 1 2 294.351 2.141 20 5 CEBDLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000602848375 347223140 /nfs/dbraw/zinc/22/31/40/347223140.db2.gz MMZLEEFFRMXHDM-GRYCIOLGSA-N 1 2 291.351 2.034 20 5 CEBDLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000602848375 347223143 /nfs/dbraw/zinc/22/31/43/347223143.db2.gz MMZLEEFFRMXHDM-GRYCIOLGSA-N 1 2 291.351 2.034 20 5 CEBDLO Cc1ncc2c(n1)CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000603661783 347382893 /nfs/dbraw/zinc/38/28/93/347382893.db2.gz JMFUAKHISGCLOX-UHFFFAOYSA-N 1 2 284.319 2.252 20 5 CEBDLO Cc1ncc2c(n1)CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000603661783 347382894 /nfs/dbraw/zinc/38/28/94/347382894.db2.gz JMFUAKHISGCLOX-UHFFFAOYSA-N 1 2 284.319 2.252 20 5 CEBDLO CN(CCCn1cc[nH+]c1)c1ccsc1[N+](=O)[O-] ZINC000610856464 347717989 /nfs/dbraw/zinc/71/79/89/347717989.db2.gz QLMCJQBIAHDIRM-UHFFFAOYSA-N 1 2 266.326 2.379 20 5 CEBDLO O=[N+]([O-])c1ccc(-n2c[nH+]c(CCCO)c2)c2ncccc12 ZINC000611297235 347764339 /nfs/dbraw/zinc/76/43/39/347764339.db2.gz YGHZZCGWDCSCFP-UHFFFAOYSA-N 1 2 298.302 2.254 20 5 CEBDLO O=[N+]([O-])c1ncccc1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000611080172 347737269 /nfs/dbraw/zinc/73/72/69/347737269.db2.gz XEDPKRMUUYPPLC-NSHDSACASA-N 1 2 285.307 2.076 20 5 CEBDLO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC=CCC1)OCCO2 ZINC000611521171 347789862 /nfs/dbraw/zinc/78/98/62/347789862.db2.gz OWVITNJZIJKMSR-UHFFFAOYSA-N 1 2 276.292 2.128 20 5 CEBDLO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC=CCC1)OCCO2 ZINC000611521171 347789865 /nfs/dbraw/zinc/78/98/65/347789865.db2.gz OWVITNJZIJKMSR-UHFFFAOYSA-N 1 2 276.292 2.128 20 5 CEBDLO CCOCC(C)(C)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339376040 215131381 /nfs/dbraw/zinc/13/13/81/215131381.db2.gz QARROLHLQSNLIN-UHFFFAOYSA-N 1 2 268.313 2.205 20 5 CEBDLO COc1cc(C[N@@H+]2C[C@H](C)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000351978571 219272107 /nfs/dbraw/zinc/27/21/07/219272107.db2.gz WDIRBDYUVCDLIC-QWRGUYRKSA-N 1 2 280.324 2.213 20 5 CEBDLO COc1cc(C[N@H+]2C[C@H](C)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000351978571 219272108 /nfs/dbraw/zinc/27/21/08/219272108.db2.gz WDIRBDYUVCDLIC-QWRGUYRKSA-N 1 2 280.324 2.213 20 5 CEBDLO Cc1ccnc(NCCCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000070496228 363091441 /nfs/dbraw/zinc/09/14/41/363091441.db2.gz JYUCBXOZGGCWAL-UHFFFAOYSA-N 1 2 275.312 2.387 20 5 CEBDLO C[C@@H]1[C@H](C)OCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000156160586 188245772 /nfs/dbraw/zinc/24/57/72/188245772.db2.gz UJRMNEKQWVXXIE-NEPJUHHUSA-N 1 2 280.324 2.083 20 5 CEBDLO C[C@@H]1[C@H](C)OCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000156160586 188245773 /nfs/dbraw/zinc/24/57/73/188245773.db2.gz UJRMNEKQWVXXIE-NEPJUHHUSA-N 1 2 280.324 2.083 20 5 CEBDLO C[C@H]1CSC[C@@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339193138 291026151 /nfs/dbraw/zinc/02/61/51/291026151.db2.gz SFHAGRPEKCUZHX-KWQFWETISA-N 1 2 268.338 2.142 20 5 CEBDLO O=C(Nc1c[nH+]c2n1CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000452340390 283260335 /nfs/dbraw/zinc/26/03/35/283260335.db2.gz IENBORGECZSVER-UHFFFAOYSA-N 1 2 286.291 2.380 20 5 CEBDLO CCCC[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)C(=O)OC ZINC000135259792 366417525 /nfs/dbraw/zinc/41/75/25/366417525.db2.gz QDTJCMZNXQMWDG-AWEZNQCLSA-N 1 2 294.351 2.459 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(N[C@H](C)C[NH+]2CCOCC2)c1 ZINC000084726432 363822334 /nfs/dbraw/zinc/82/23/34/363822334.db2.gz DHEJTSNGSPKOKB-GFCCVEGCSA-N 1 2 279.340 2.036 20 5 CEBDLO COC(=O)C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C(C)C ZINC000093286954 364156387 /nfs/dbraw/zinc/15/63/87/364156387.db2.gz HSLHOCZNPXASKZ-SOFGYWHQSA-N 1 2 292.335 2.491 20 5 CEBDLO COC(=O)C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C(C)C ZINC000093286954 364156398 /nfs/dbraw/zinc/15/63/98/364156398.db2.gz HSLHOCZNPXASKZ-SOFGYWHQSA-N 1 2 292.335 2.491 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)c1ncn(C)n1 ZINC000275664433 193099082 /nfs/dbraw/zinc/09/90/82/193099082.db2.gz YLOBAGDMAUCRPA-QWRGUYRKSA-N 1 2 289.339 2.444 20 5 CEBDLO C[C@@H](CC(=O)N(C)c1cccc([N+](=O)[O-])c1)n1cc[nH+]c1 ZINC000582609430 366934542 /nfs/dbraw/zinc/93/45/42/366934542.db2.gz PJMAVKYKCAEIIR-NSHDSACASA-N 1 2 288.307 2.405 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1COCc1[nH]cc[nH+]1 ZINC000341344705 367295525 /nfs/dbraw/zinc/29/55/25/367295525.db2.gz SNYYUZOXMIMSCS-UHFFFAOYSA-N 1 2 263.253 2.043 20 5 CEBDLO Cc1cc[nH+]c(NCCn2cc([N+](=O)[O-])cn2)c1Cl ZINC000342701589 367490289 /nfs/dbraw/zinc/49/02/89/367490289.db2.gz ZZYJROZLZWVHHY-UHFFFAOYSA-N 1 2 281.703 2.260 20 5 CEBDLO Cn1cc[nH+]c1[C@@H](Nc1ccc([N+](=O)[O-])cn1)C1CC1 ZINC000343281254 367740768 /nfs/dbraw/zinc/74/07/68/367740768.db2.gz HGQIVVKVEOLJLO-LBPRGKRZSA-N 1 2 273.296 2.287 20 5 CEBDLO CCOC(=O)C[N@H+](CC)Cc1ccc([N+](=O)[O-])cc1C ZINC000183295028 368620865 /nfs/dbraw/zinc/62/08/65/368620865.db2.gz GXKDQGQBJRJCOO-UHFFFAOYSA-N 1 2 280.324 2.288 20 5 CEBDLO CCOC(=O)C[N@@H+](CC)Cc1ccc([N+](=O)[O-])cc1C ZINC000183295028 368620872 /nfs/dbraw/zinc/62/08/72/368620872.db2.gz GXKDQGQBJRJCOO-UHFFFAOYSA-N 1 2 280.324 2.288 20 5 CEBDLO C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000330631791 203060652 /nfs/dbraw/zinc/06/06/52/203060652.db2.gz GNYSWTYGVFQFRH-UWVGGRQHSA-N 1 2 293.323 2.112 20 5 CEBDLO C[C@@H]([NH2+]Cc1cc(C(N)=O)co1)c1cccc([N+](=O)[O-])c1 ZINC000187720595 369209958 /nfs/dbraw/zinc/20/99/58/369209958.db2.gz NOPXKEJDYHIWFK-SECBINFHSA-N 1 2 289.291 2.138 20 5 CEBDLO COc1ccc(C[NH2+][C@H](C)c2ccon2)cc1[N+](=O)[O-] ZINC000349237470 369275051 /nfs/dbraw/zinc/27/50/51/369275051.db2.gz IXGAQZZCKYELFJ-SECBINFHSA-N 1 2 277.280 2.442 20 5 CEBDLO O=[N+]([O-])c1cnc(N[C@H]2CCN(c3cccc[nH+]3)C2)s1 ZINC000192508167 369822083 /nfs/dbraw/zinc/82/20/83/369822083.db2.gz SBJXFBPWIGYPNZ-VIFPVBQESA-N 1 2 291.336 2.137 20 5 CEBDLO COc1cc(C[N@@H+]2CCO[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000352533940 369776187 /nfs/dbraw/zinc/77/61/87/369776187.db2.gz BIWSCEDYVGDNHQ-GHMZBOCLSA-N 1 2 280.324 2.213 20 5 CEBDLO COc1cc(C[N@H+]2CCO[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000352533940 369776188 /nfs/dbraw/zinc/77/61/88/369776188.db2.gz BIWSCEDYVGDNHQ-GHMZBOCLSA-N 1 2 280.324 2.213 20 5 CEBDLO COC(=O)[C@@H](C)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000193101578 369893103 /nfs/dbraw/zinc/89/31/03/369893103.db2.gz QUBYXPNHFHDIDV-WDEREUQCSA-N 1 2 280.324 2.067 20 5 CEBDLO Cc1c(C[NH2+]Cc2ncnn2C(C)C)cccc1[N+](=O)[O-] ZINC000231885379 370497752 /nfs/dbraw/zinc/49/77/52/370497752.db2.gz KURXIUIWNFDOIF-UHFFFAOYSA-N 1 2 289.339 2.365 20 5 CEBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000249050068 371287728 /nfs/dbraw/zinc/28/77/28/371287728.db2.gz WPOPPTWWQIQRQV-DOMZBBRYSA-N 1 2 292.335 2.147 20 5 CEBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000249050068 371287731 /nfs/dbraw/zinc/28/77/31/371287731.db2.gz WPOPPTWWQIQRQV-DOMZBBRYSA-N 1 2 292.335 2.147 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC=C(C)CC1 ZINC000270112818 372669031 /nfs/dbraw/zinc/66/90/31/372669031.db2.gz DMJZUTCYORXYQD-UHFFFAOYSA-N 1 2 289.335 2.494 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC=C(C)CC1 ZINC000270112818 372669035 /nfs/dbraw/zinc/66/90/35/372669035.db2.gz DMJZUTCYORXYQD-UHFFFAOYSA-N 1 2 289.335 2.494 20 5 CEBDLO Cc1cnn(C2C[NH+](Cc3ccc([N+](=O)[O-])cc3C)C2)c1 ZINC000371869419 373994475 /nfs/dbraw/zinc/99/44/75/373994475.db2.gz HGALKBUHWFHDQS-UHFFFAOYSA-N 1 2 286.335 2.465 20 5 CEBDLO CN(CCCn1cc[nH+]c1)c1c(F)cccc1[N+](=O)[O-] ZINC000286168137 375862227 /nfs/dbraw/zinc/86/22/27/375862227.db2.gz JZWJLCZLYKIALS-UHFFFAOYSA-N 1 2 278.287 2.457 20 5 CEBDLO C[C@@]1(O)C[C@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000418986389 376373288 /nfs/dbraw/zinc/37/32/88/376373288.db2.gz GIXZUMBSPHWVQY-WJONMLJTSA-N 1 2 273.292 2.468 20 5 CEBDLO C[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000560698803 376777391 /nfs/dbraw/zinc/77/73/91/376777391.db2.gz WZHIARPVLMIJBA-SNVBAGLBSA-N 1 2 288.307 2.128 20 5 CEBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@]23CCOC3)cs1 ZINC000421008544 376784322 /nfs/dbraw/zinc/78/43/22/376784322.db2.gz BAWWJBATUPYZEU-LLVKDONJSA-N 1 2 254.311 2.021 20 5 CEBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@]23CCOC3)cs1 ZINC000421008544 376784323 /nfs/dbraw/zinc/78/43/23/376784323.db2.gz BAWWJBATUPYZEU-LLVKDONJSA-N 1 2 254.311 2.021 20 5 CEBDLO CC[C@]1(C)COCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330450712 377139626 /nfs/dbraw/zinc/13/96/26/377139626.db2.gz JMZSOQLDLNINIQ-CQSZACIVSA-N 1 2 280.324 2.301 20 5 CEBDLO CC[C@]1(C)COCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330450712 377139631 /nfs/dbraw/zinc/13/96/31/377139631.db2.gz JMZSOQLDLNINIQ-CQSZACIVSA-N 1 2 280.324 2.301 20 5 CEBDLO Cc1c(NC(=O)[C@H](C)[NH+]2CC(C)C2)cccc1[N+](=O)[O-] ZINC000565174707 377588952 /nfs/dbraw/zinc/58/89/52/377588952.db2.gz WMSVZAPWEJQNSM-NSHDSACASA-N 1 2 277.324 2.182 20 5 CEBDLO Cc1cccc(NCCc2cn(C)c[nH+]2)c1[N+](=O)[O-] ZINC000313482580 249395435 /nfs/dbraw/zinc/39/54/35/249395435.db2.gz KRGCVGOZQUAPHW-UHFFFAOYSA-N 1 2 260.297 2.291 20 5 CEBDLO Cc1c(CN2CCn3cc[nH+]c3C2)cccc1[N+](=O)[O-] ZINC000332606058 377645929 /nfs/dbraw/zinc/64/59/29/377645929.db2.gz JHSBATAUPOFHQU-UHFFFAOYSA-N 1 2 272.308 2.116 20 5 CEBDLO Cc1nc(NCc2[nH+]ccn2CC(C)C)ncc1[N+](=O)[O-] ZINC000450347698 378367811 /nfs/dbraw/zinc/36/78/11/378367811.db2.gz IVKBLOFBQOSWAL-UHFFFAOYSA-N 1 2 290.327 2.158 20 5 CEBDLO Cn1cc[nH+]c1[C@H](Nc1ccc([N+](=O)[O-])nc1)C1CC1 ZINC000450530081 378461848 /nfs/dbraw/zinc/46/18/48/378461848.db2.gz OYZGOCVLFBDENS-GFCCVEGCSA-N 1 2 273.296 2.287 20 5 CEBDLO CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000450831329 378601116 /nfs/dbraw/zinc/60/11/16/378601116.db2.gz PDTDSVZGDXXDOQ-WPRPVWTQSA-N 1 2 290.327 2.434 20 5 CEBDLO COc1cc(C[N@H+](C(C)C)C2COC2)ccc1[N+](=O)[O-] ZINC000451121222 378715721 /nfs/dbraw/zinc/71/57/21/378715721.db2.gz PWPQIYHTLXOJNF-UHFFFAOYSA-N 1 2 280.324 2.213 20 5 CEBDLO COc1cc(C[N@@H+](C(C)C)C2COC2)ccc1[N+](=O)[O-] ZINC000451121222 378715727 /nfs/dbraw/zinc/71/57/27/378715727.db2.gz PWPQIYHTLXOJNF-UHFFFAOYSA-N 1 2 280.324 2.213 20 5 CEBDLO Cc1cc(NCCCO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000299388019 378980228 /nfs/dbraw/zinc/98/02/28/378980228.db2.gz CPZKVETWBRBSJR-UHFFFAOYSA-N 1 2 288.307 2.155 20 5 CEBDLO C[C@@H]([NH2+]Cc1nnc(C2CC2)[nH]1)c1ccccc1[N+](=O)[O-] ZINC000347649161 218305903 /nfs/dbraw/zinc/30/59/03/218305903.db2.gz IBDMYSJHBAYGTE-SECBINFHSA-N 1 2 287.323 2.441 20 5 CEBDLO Cn1cnc([N+](=O)[O-])c1NCCCCNc1cccc[nH+]1 ZINC000263930789 131363406 /nfs/dbraw/zinc/36/34/06/131363406.db2.gz RRBQYXBPMTUWPV-UHFFFAOYSA-N 1 2 290.327 2.028 20 5 CEBDLO COC(=O)[C@@H](C)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413108450 394484088 /nfs/dbraw/zinc/48/40/88/394484088.db2.gz LZCPOMZOMTXSEJ-VIFPVBQESA-N 1 2 289.291 2.364 20 5 CEBDLO Cc1noc([C@@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000356857114 394632257 /nfs/dbraw/zinc/63/22/57/394632257.db2.gz AKAAVIAVMAHTAM-SECBINFHSA-N 1 2 276.296 2.445 20 5 CEBDLO CN(CCCn1cc[nH+]c1)c1ncc([N+](=O)[O-])cc1Cl ZINC000268951611 394703719 /nfs/dbraw/zinc/70/37/19/394703719.db2.gz ILEJZHUIIFOKKD-UHFFFAOYSA-N 1 2 295.730 2.366 20 5 CEBDLO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000155972661 289021729 /nfs/dbraw/zinc/02/17/29/289021729.db2.gz WWXZFQDDFKHDRT-MNOVXSKESA-N 1 2 250.298 2.204 20 5 CEBDLO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000155972661 289021730 /nfs/dbraw/zinc/02/17/30/289021730.db2.gz WWXZFQDDFKHDRT-MNOVXSKESA-N 1 2 250.298 2.204 20 5 CEBDLO Cc1nc2[nH]ccc2c(NCc2ccccc2[N+](=O)[O-])[nH+]1 ZINC000433766784 395244109 /nfs/dbraw/zinc/24/41/09/395244109.db2.gz PJAULSZLZYCABT-UHFFFAOYSA-N 1 2 283.291 2.209 20 5 CEBDLO CC(=O)c1ccc(OCc2c[nH+]cn2C)c([N+](=O)[O-])c1 ZINC000440820053 395362956 /nfs/dbraw/zinc/36/29/56/395362956.db2.gz XNBZLANPAFHCMC-UHFFFAOYSA-N 1 2 275.264 2.110 20 5 CEBDLO Cc1c(NC(=O)CCc2c[nH+]c[nH]2)cccc1[N+](=O)[O-] ZINC000194985647 395456396 /nfs/dbraw/zinc/45/63/96/395456396.db2.gz OLQCKPKJWAHACV-UHFFFAOYSA-N 1 2 274.280 2.198 20 5 CEBDLO Cc1c(NC(=O)CCc2c[nH]c[nH+]2)cccc1[N+](=O)[O-] ZINC000194985647 395456399 /nfs/dbraw/zinc/45/63/99/395456399.db2.gz OLQCKPKJWAHACV-UHFFFAOYSA-N 1 2 274.280 2.198 20 5 CEBDLO Cc1ccc(C[N@H+]2CC[S@](=O)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000365447601 292101843 /nfs/dbraw/zinc/10/18/43/292101843.db2.gz OGHVXOMHGRDIEX-MPBGBICISA-N 1 2 296.392 2.246 20 5 CEBDLO Cc1ccc(C[N@@H+]2CC[S@](=O)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000365447601 292101847 /nfs/dbraw/zinc/10/18/47/292101847.db2.gz OGHVXOMHGRDIEX-MPBGBICISA-N 1 2 296.392 2.246 20 5 CEBDLO COc1cc(CNc2cc[nH+]cc2F)c([N+](=O)[O-])cc1O ZINC000192149884 153203141 /nfs/dbraw/zinc/20/31/41/153203141.db2.gz STULYOFEOJCAPH-UHFFFAOYSA-N 1 2 293.254 2.455 20 5 CEBDLO CC(C)[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@@H](C)O ZINC000352027218 154322117 /nfs/dbraw/zinc/32/21/17/154322117.db2.gz ODZJYQHANCIASL-SECBINFHSA-N 1 2 288.294 2.464 20 5 CEBDLO CC(C)[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@@H](C)O ZINC000352027218 154322120 /nfs/dbraw/zinc/32/21/20/154322120.db2.gz ODZJYQHANCIASL-SECBINFHSA-N 1 2 288.294 2.464 20 5 CEBDLO Cc1c[nH+]ccc1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000181054157 165328339 /nfs/dbraw/zinc/32/83/39/165328339.db2.gz YNFPXGBRLQESLB-UHFFFAOYSA-N 1 2 272.264 2.133 20 5 CEBDLO CC(C)[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1nncn1C ZINC000285244902 196231122 /nfs/dbraw/zinc/23/11/22/196231122.db2.gz CARQUKHEDCGHNJ-LLVKDONJSA-N 1 2 295.368 2.272 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cc(C)on1 ZINC000044724854 175237313 /nfs/dbraw/zinc/23/73/13/175237313.db2.gz KIEPDGGZECOWLD-UHFFFAOYSA-N 1 2 277.280 2.190 20 5 CEBDLO Cn1cc[nH+]c1CNc1cc(F)cc([N+](=O)[O-])c1 ZINC000071274419 176106154 /nfs/dbraw/zinc/10/61/54/176106154.db2.gz JFZVEPBBEAZLDW-UHFFFAOYSA-N 1 2 250.233 2.080 20 5 CEBDLO CNc1ccc(Nc2ncc([N+](=O)[O-])s2)c[nH+]1 ZINC000190337563 270267707 /nfs/dbraw/zinc/26/77/07/270267707.db2.gz OWCUTARPRGXUSQ-UHFFFAOYSA-N 1 2 251.271 2.232 20 5 CEBDLO Cc1cc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)ncn1 ZINC000428246575 271249936 /nfs/dbraw/zinc/24/99/36/271249936.db2.gz HSFBEYSTCVMRCO-UHFFFAOYSA-N 1 2 284.319 2.252 20 5 CEBDLO Cc1cc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)ncn1 ZINC000428246575 271249939 /nfs/dbraw/zinc/24/99/39/271249939.db2.gz HSFBEYSTCVMRCO-UHFFFAOYSA-N 1 2 284.319 2.252 20 5 CEBDLO Cc1nc(N2CCC[C@@H]2c2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000371599403 279090432 /nfs/dbraw/zinc/09/04/32/279090432.db2.gz WRXWOYBGAIXWJY-LLVKDONJSA-N 1 2 273.296 2.363 20 5 CEBDLO Cc1cn2c([nH+]1)CN(c1ncc([N+](=O)[O-])cc1Cl)CC2 ZINC000371702954 281546996 /nfs/dbraw/zinc/54/69/96/281546996.db2.gz HOAYEHKTQRJFKB-UHFFFAOYSA-N 1 2 293.714 2.168 20 5 CEBDLO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccn(C)n1 ZINC000459758072 290229326 /nfs/dbraw/zinc/22/93/26/290229326.db2.gz QKTPEPQMLOHSSS-VIFPVBQESA-N 1 2 278.287 2.318 20 5 CEBDLO CCc1ccc(C(=O)N(C)Cc2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000471969999 290292588 /nfs/dbraw/zinc/29/25/88/290292588.db2.gz LMZGIVODKMHILG-UHFFFAOYSA-N 1 2 288.307 2.153 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)c1ncnn1C ZINC000530440098 298071170 /nfs/dbraw/zinc/07/11/70/298071170.db2.gz FLWCNCCDVUTULB-GHMZBOCLSA-N 1 2 289.339 2.444 20 5 CEBDLO O=[N+]([O-])c1cnc2ccccc2c1N1CC(n2cc[nH+]c2)C1 ZINC000558996241 298610165 /nfs/dbraw/zinc/61/01/65/298610165.db2.gz BSQVUQUBOFMUPX-UHFFFAOYSA-N 1 2 295.302 2.401 20 5 CEBDLO CC(C)(NC(=O)c1csc([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000577958111 314430688 /nfs/dbraw/zinc/43/06/88/314430688.db2.gz UONIKDDIPPHDBL-UHFFFAOYSA-N 1 2 280.309 2.045 20 5 CEBDLO CCCn1ncnc1C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000584509599 329504825 /nfs/dbraw/zinc/50/48/25/329504825.db2.gz GPDCHIUFLKKZQT-LLVKDONJSA-N 1 2 289.339 2.447 20 5 CEBDLO Cc1c(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cnn1C ZINC000268884965 518185868 /nfs/dbraw/zinc/18/58/68/518185868.db2.gz IQFSEMTZKHIJFN-UHFFFAOYSA-N 1 2 274.324 2.269 20 5 CEBDLO Cc1c(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cnn1C ZINC000268884965 518185869 /nfs/dbraw/zinc/18/58/69/518185869.db2.gz IQFSEMTZKHIJFN-UHFFFAOYSA-N 1 2 274.324 2.269 20 5 CEBDLO CCC[N@H+](CC(=O)OC)Cc1ccc([N+](=O)[O-])cc1C ZINC000183208290 521567512 /nfs/dbraw/zinc/56/75/12/521567512.db2.gz MZZPSJBRGRGKQO-UHFFFAOYSA-N 1 2 280.324 2.288 20 5 CEBDLO CCC[N@@H+](CC(=O)OC)Cc1ccc([N+](=O)[O-])cc1C ZINC000183208290 521567517 /nfs/dbraw/zinc/56/75/17/521567517.db2.gz MZZPSJBRGRGKQO-UHFFFAOYSA-N 1 2 280.324 2.288 20 5 CEBDLO CC[C@@H](C[NH+]1CCOCC1)Nc1cccc(F)c1[N+](=O)[O-] ZINC000895804005 630355285 /nfs/dbraw/zinc/35/52/85/630355285.db2.gz HGIOTXOLAQHVLU-NSHDSACASA-N 1 2 297.330 2.257 20 5 CEBDLO CC[NH2+]Cc1noc([C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)n1 ZINC000904499773 635657269 /nfs/dbraw/zinc/65/72/69/635657269.db2.gz HXJRIDOUWDQRLH-NWDGAFQWSA-N 1 2 288.307 2.358 20 5 CEBDLO CC[NH2+]Cc1noc([C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)n1 ZINC000904499776 635657350 /nfs/dbraw/zinc/65/73/50/635657350.db2.gz HXJRIDOUWDQRLH-VXGBXAGGSA-N 1 2 288.307 2.358 20 5 CEBDLO CC[C@@H](C)[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000905760819 636447405 /nfs/dbraw/zinc/44/74/05/636447405.db2.gz LPNXKEOSJDAQAP-RISCZKNCSA-N 1 2 294.351 2.315 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1C(=O)OCCc1c[nH+]cn1C ZINC000837363666 639204126 /nfs/dbraw/zinc/20/41/26/639204126.db2.gz UEECBAIBGDCKCW-UHFFFAOYSA-N 1 2 289.291 2.036 20 5 CEBDLO C[C@H](Cc1nc(CCC(C)(C)[N+](=O)[O-])no1)n1cc[nH+]c1 ZINC000844869238 640854879 /nfs/dbraw/zinc/85/48/79/640854879.db2.gz PUYHXTQNCDCEDZ-SNVBAGLBSA-N 1 2 293.327 2.058 20 5 CEBDLO COc1nccnc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000922537658 643111051 /nfs/dbraw/zinc/11/10/51/643111051.db2.gz IOVLTTQKRBSAAQ-SNVBAGLBSA-N 1 2 288.307 2.244 20 5 CEBDLO COC(C)(C)[C@H](C)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000922582069 643141580 /nfs/dbraw/zinc/14/15/80/643141580.db2.gz SLGIZNARGOFBMY-VIFPVBQESA-N 1 2 268.313 2.204 20 5 CEBDLO Cc1cccc(C(=O)O[C@@H]2CC[N@H+](CCF)C2)c1[N+](=O)[O-] ZINC000788080424 643342441 /nfs/dbraw/zinc/34/24/41/643342441.db2.gz KJBLZLQTAVDXFM-LLVKDONJSA-N 1 2 296.298 2.104 20 5 CEBDLO Cc1cccc(C(=O)O[C@@H]2CC[N@@H+](CCF)C2)c1[N+](=O)[O-] ZINC000788080424 643342449 /nfs/dbraw/zinc/34/24/49/643342449.db2.gz KJBLZLQTAVDXFM-LLVKDONJSA-N 1 2 296.298 2.104 20 5 CEBDLO CCn1ncc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000838907196 644064929 /nfs/dbraw/zinc/06/49/29/644064929.db2.gz UAYDLCNVHWTBTB-JTQLQIEISA-N 1 2 275.312 2.057 20 5 CEBDLO CCc1nnc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)[nH]1 ZINC000763139468 645509282 /nfs/dbraw/zinc/50/92/82/645509282.db2.gz HLTXMWYNSIJXCP-JTQLQIEISA-N 1 2 289.339 2.435 20 5 CEBDLO CCOC(=O)[C@@H](C)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000763283919 645527700 /nfs/dbraw/zinc/52/77/00/645527700.db2.gz JACZLEMUDBHNCI-VXGBXAGGSA-N 1 2 294.351 2.457 20 5 CEBDLO Cc1nn(C[N@H+]2CCS[C@H](C)[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000118381719 646224499 /nfs/dbraw/zinc/22/44/99/646224499.db2.gz PAIZMUABLLPMJD-GXSJLCMTSA-N 1 2 284.385 2.191 20 5 CEBDLO Cc1nn(C[N@@H+]2CCS[C@H](C)[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000118381719 646224503 /nfs/dbraw/zinc/22/45/03/646224503.db2.gz PAIZMUABLLPMJD-GXSJLCMTSA-N 1 2 284.385 2.191 20 5 CEBDLO O=C(OCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000772031916 646587220 /nfs/dbraw/zinc/58/72/20/646587220.db2.gz ZLBAPSNRCTUHLF-UHFFFAOYSA-N 1 2 295.682 2.302 20 5 CEBDLO C[C@@H]([NH2+]Cc1cncn1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872072821 649263140 /nfs/dbraw/zinc/26/31/40/649263140.db2.gz KFWJSQKKYPMHFZ-SECBINFHSA-N 1 2 278.287 2.318 20 5 CEBDLO Cc1nonc1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000872137767 649289022 /nfs/dbraw/zinc/28/90/22/649289022.db2.gz WKTYRYYKCMKLLR-SECBINFHSA-N 1 2 276.296 2.445 20 5 CEBDLO CCn1c[nH+]cc1CN1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001118029122 814977641 /nfs/dbraw/zinc/97/76/41/814977641.db2.gz PDXYDTXNNUCVKW-UHFFFAOYSA-N 1 2 272.308 2.327 20 5 CEBDLO CCOC1C[NH+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170327786 812388825 /nfs/dbraw/zinc/38/88/25/812388825.db2.gz HRUBJBGXZMACGB-NSHDSACASA-N 1 2 294.351 2.255 20 5 CEBDLO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1nncn1C ZINC000037016545 361884741 /nfs/dbraw/zinc/88/47/41/361884741.db2.gz LGFPCJWJXPEXEG-VHSXEESVSA-N 1 2 275.312 2.135 20 5 CEBDLO C[C@H]([NH2+]Cc1csnn1)c1cccc([N+](=O)[O-])c1 ZINC000037775643 361935936 /nfs/dbraw/zinc/93/59/36/361935936.db2.gz JLYYHWYSWUCCJK-QMMMGPOBSA-N 1 2 264.310 2.297 20 5 CEBDLO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000350869049 219067515 /nfs/dbraw/zinc/06/75/15/219067515.db2.gz KGPLGIXYBLPDHR-SNVBAGLBSA-N 1 2 268.288 2.345 20 5 CEBDLO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000350869049 219067517 /nfs/dbraw/zinc/06/75/17/219067517.db2.gz KGPLGIXYBLPDHR-SNVBAGLBSA-N 1 2 268.288 2.345 20 5 CEBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000054342895 343587861 /nfs/dbraw/zinc/58/78/61/343587861.db2.gz QRMAEQZZXXDWDS-UONOGXRCSA-N 1 2 262.309 2.348 20 5 CEBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000054342895 343587863 /nfs/dbraw/zinc/58/78/63/343587863.db2.gz QRMAEQZZXXDWDS-UONOGXRCSA-N 1 2 262.309 2.348 20 5 CEBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000054346526 343588637 /nfs/dbraw/zinc/58/86/37/343588637.db2.gz ISLXSIODSQQLTL-UONOGXRCSA-N 1 2 262.309 2.348 20 5 CEBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000054346526 343588639 /nfs/dbraw/zinc/58/86/39/343588639.db2.gz ISLXSIODSQQLTL-UONOGXRCSA-N 1 2 262.309 2.348 20 5 CEBDLO CCN(CC)C(=O)C[N@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000072557816 343805866 /nfs/dbraw/zinc/80/58/66/343805866.db2.gz LGPJMSFIACVNDG-LBPRGKRZSA-N 1 2 293.367 2.456 20 5 CEBDLO CCN(CC)C(=O)C[N@@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000072557816 343805868 /nfs/dbraw/zinc/80/58/68/343805868.db2.gz LGPJMSFIACVNDG-LBPRGKRZSA-N 1 2 293.367 2.456 20 5 CEBDLO CC[C@H](C)[NH+]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000449635437 282312272 /nfs/dbraw/zinc/31/22/72/282312272.db2.gz YCDZLQMFTGVNRA-LBPRGKRZSA-N 1 2 293.367 2.217 20 5 CEBDLO COC[C@@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000093337358 344220309 /nfs/dbraw/zinc/22/03/09/344220309.db2.gz AMTWPVRGNNNKKA-LLVKDONJSA-N 1 2 280.324 2.159 20 5 CEBDLO COC[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000093337358 344220311 /nfs/dbraw/zinc/22/03/11/344220311.db2.gz AMTWPVRGNNNKKA-LLVKDONJSA-N 1 2 280.324 2.159 20 5 CEBDLO Cc1cc(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)cc[nH+]1 ZINC000568005743 299107860 /nfs/dbraw/zinc/10/78/60/299107860.db2.gz FFURWOFJHNFUOF-LLVKDONJSA-N 1 2 285.303 2.462 20 5 CEBDLO CCOC(=O)C[N@H+](CC)CCc1ccc([N+](=O)[O-])cc1 ZINC000049947990 362386880 /nfs/dbraw/zinc/38/68/80/362386880.db2.gz QZFGXZDSDGANRN-UHFFFAOYSA-N 1 2 280.324 2.022 20 5 CEBDLO CCOC(=O)C[N@@H+](CC)CCc1ccc([N+](=O)[O-])cc1 ZINC000049947990 362386884 /nfs/dbraw/zinc/38/68/84/362386884.db2.gz QZFGXZDSDGANRN-UHFFFAOYSA-N 1 2 280.324 2.022 20 5 CEBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC=CCC2)c1 ZINC000589510710 345085222 /nfs/dbraw/zinc/08/52/22/345085222.db2.gz IVAMLQFJPNALHA-UHFFFAOYSA-N 1 2 276.292 2.143 20 5 CEBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC=CCC2)c1 ZINC000589510710 345085225 /nfs/dbraw/zinc/08/52/25/345085225.db2.gz IVAMLQFJPNALHA-UHFFFAOYSA-N 1 2 276.292 2.143 20 5 CEBDLO Cc1c(CN2CCc3[nH+]c[nH]c3C2)cccc1[N+](=O)[O-] ZINC000590602166 345151320 /nfs/dbraw/zinc/15/13/20/345151320.db2.gz UBCVLOGJCDDKBA-UHFFFAOYSA-N 1 2 272.308 2.185 20 5 CEBDLO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1cocn1 ZINC000594510349 345640855 /nfs/dbraw/zinc/64/08/55/345640855.db2.gz COKVYOFEMGCPHA-GFCCVEGCSA-N 1 2 259.265 2.360 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1C[C@H](C)n2ncnc21 ZINC000594957490 345716589 /nfs/dbraw/zinc/71/65/89/345716589.db2.gz PZNFTQMTPONNAP-GXFFZTMASA-N 1 2 287.323 2.290 20 5 CEBDLO C[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1ccn(C)n1 ZINC000595538712 345806042 /nfs/dbraw/zinc/80/60/42/345806042.db2.gz JLBVJNICNRMYDG-SECBINFHSA-N 1 2 278.287 2.318 20 5 CEBDLO COc1cc(C[NH+]2C[C@@H](C)C(=O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000595714865 345858869 /nfs/dbraw/zinc/85/88/69/345858869.db2.gz PYEVADRGBBDQCS-GHMZBOCLSA-N 1 2 292.335 2.260 20 5 CEBDLO Cc1cc(NCC[N@@H+]2CCO[C@@H](C)C2)c([N+](=O)[O-])s1 ZINC000596102796 345940189 /nfs/dbraw/zinc/94/01/89/345940189.db2.gz YNYMTLXAPXOZKX-VIFPVBQESA-N 1 2 285.369 2.097 20 5 CEBDLO Cc1cc(NCC[N@H+]2CCO[C@@H](C)C2)c([N+](=O)[O-])s1 ZINC000596102796 345940194 /nfs/dbraw/zinc/94/01/94/345940194.db2.gz YNYMTLXAPXOZKX-VIFPVBQESA-N 1 2 285.369 2.097 20 5 CEBDLO Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)c1[nH+]ccn1C ZINC000596543192 346051034 /nfs/dbraw/zinc/05/10/34/346051034.db2.gz NDQMJASZPLAODV-VIFPVBQESA-N 1 2 261.285 2.205 20 5 CEBDLO COC(=O)[C@@H](C)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599037664 346450374 /nfs/dbraw/zinc/45/03/74/346450374.db2.gz KHMWMEOTGJDKIY-VIFPVBQESA-N 1 2 289.291 2.364 20 5 CEBDLO O=[N+]([O-])c1c(N[C@H]2CCOC2)ccc2c[nH+]ccc21 ZINC000599057006 346453722 /nfs/dbraw/zinc/45/37/22/346453722.db2.gz BDEIGIBKQFTAEN-JTQLQIEISA-N 1 2 259.265 2.344 20 5 CEBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCO[C@H](CCF)C2)c1 ZINC000599642657 346552641 /nfs/dbraw/zinc/55/26/41/346552641.db2.gz PHFNXCQKXRRCFF-CYBMUJFWSA-N 1 2 268.288 2.155 20 5 CEBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCO[C@H](CCF)C2)c1 ZINC000599642657 346552643 /nfs/dbraw/zinc/55/26/43/346552643.db2.gz PHFNXCQKXRRCFF-CYBMUJFWSA-N 1 2 268.288 2.155 20 5 CEBDLO COC[C@@]1(C)C[N@H+](Cc2cccc([N+](=O)[O-])c2C)CCO1 ZINC000599693972 346569152 /nfs/dbraw/zinc/56/91/52/346569152.db2.gz QIHFYVSPQMEVQG-OAHLLOKOSA-N 1 2 294.351 2.141 20 5 CEBDLO COC[C@@]1(C)C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)CCO1 ZINC000599693972 346569154 /nfs/dbraw/zinc/56/91/54/346569154.db2.gz QIHFYVSPQMEVQG-OAHLLOKOSA-N 1 2 294.351 2.141 20 5 CEBDLO C[N@@H+]1CCO[C@@H](CSc2ccsc2[N+](=O)[O-])C1 ZINC000601182448 346780111 /nfs/dbraw/zinc/78/01/11/346780111.db2.gz VDDNUVKVESZHSF-MRVPVSSYSA-N 1 2 274.367 2.079 20 5 CEBDLO C[N@H+]1CCO[C@@H](CSc2ccsc2[N+](=O)[O-])C1 ZINC000601182448 346780114 /nfs/dbraw/zinc/78/01/14/346780114.db2.gz VDDNUVKVESZHSF-MRVPVSSYSA-N 1 2 274.367 2.079 20 5 CEBDLO CC(C)[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1COC1 ZINC000602674669 347136919 /nfs/dbraw/zinc/13/69/19/347136919.db2.gz YMUMBWQHXOYRPM-UHFFFAOYSA-N 1 2 291.307 2.345 20 5 CEBDLO CC(C)[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1COC1 ZINC000602674669 347136921 /nfs/dbraw/zinc/13/69/21/347136921.db2.gz YMUMBWQHXOYRPM-UHFFFAOYSA-N 1 2 291.307 2.345 20 5 CEBDLO CCN(C#N)CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000602781765 347196455 /nfs/dbraw/zinc/19/64/55/347196455.db2.gz FHUUFEGZYHGQFH-UHFFFAOYSA-N 1 2 288.351 2.362 20 5 CEBDLO CCN(C#N)CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000602781765 347196458 /nfs/dbraw/zinc/19/64/58/347196458.db2.gz FHUUFEGZYHGQFH-UHFFFAOYSA-N 1 2 288.351 2.362 20 5 CEBDLO O=C(CCCn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000604527990 347420263 /nfs/dbraw/zinc/42/02/63/347420263.db2.gz NGUDSMNOFMRELP-UHFFFAOYSA-N 1 2 274.280 2.210 20 5 CEBDLO CC[N@H+](CC(=O)N(C)C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000609710725 347649537 /nfs/dbraw/zinc/64/95/37/347649537.db2.gz INTFPQVFPVLNSW-UHFFFAOYSA-N 1 2 299.758 2.158 20 5 CEBDLO CC[N@@H+](CC(=O)N(C)C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000609710725 347649541 /nfs/dbraw/zinc/64/95/41/347649541.db2.gz INTFPQVFPVLNSW-UHFFFAOYSA-N 1 2 299.758 2.158 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]21 ZINC000610762781 347712863 /nfs/dbraw/zinc/71/28/63/347712863.db2.gz UZHQNUFCVIMSIE-RYUDHWBXSA-N 1 2 289.335 2.326 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]21 ZINC000610762781 347712867 /nfs/dbraw/zinc/71/28/67/347712867.db2.gz UZHQNUFCVIMSIE-RYUDHWBXSA-N 1 2 289.335 2.326 20 5 CEBDLO CCC(=O)N[C@@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000130422018 365954169 /nfs/dbraw/zinc/95/41/69/365954169.db2.gz KZSMWQDOQOGLIA-LLVKDONJSA-N 1 2 297.380 2.147 20 5 CEBDLO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000130422018 365954174 /nfs/dbraw/zinc/95/41/74/365954174.db2.gz KZSMWQDOQOGLIA-LLVKDONJSA-N 1 2 297.380 2.147 20 5 CEBDLO Cc1c[nH+]ccc1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000107288714 186167275 /nfs/dbraw/zinc/16/72/75/186167275.db2.gz LBCDSQCEGNDBIA-UHFFFAOYSA-N 1 2 287.275 2.316 20 5 CEBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@](C)(O)C(F)(F)F ZINC000337135094 366034137 /nfs/dbraw/zinc/03/41/37/366034137.db2.gz NPMMLJPTWFXGBA-NSHDSACASA-N 1 2 292.257 2.340 20 5 CEBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@](C)(O)C(F)(F)F ZINC000337135094 366034141 /nfs/dbraw/zinc/03/41/41/366034141.db2.gz NPMMLJPTWFXGBA-NSHDSACASA-N 1 2 292.257 2.340 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCOC2(CCC2)C1 ZINC000154275185 188133486 /nfs/dbraw/zinc/13/34/86/188133486.db2.gz VZHFALPHXAGXKG-UHFFFAOYSA-N 1 2 292.335 2.358 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCOC2(CCC2)C1 ZINC000154275185 188133488 /nfs/dbraw/zinc/13/34/88/188133488.db2.gz VZHFALPHXAGXKG-UHFFFAOYSA-N 1 2 292.335 2.358 20 5 CEBDLO C[N@H+](CCO)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000157725644 188335470 /nfs/dbraw/zinc/33/54/70/188335470.db2.gz FXUWZJODURGJRR-UHFFFAOYSA-N 1 2 293.348 2.142 20 5 CEBDLO C[N@@H+](CCO)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000157725644 188335471 /nfs/dbraw/zinc/33/54/71/188335471.db2.gz FXUWZJODURGJRR-UHFFFAOYSA-N 1 2 293.348 2.142 20 5 CEBDLO COC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451549087 283030709 /nfs/dbraw/zinc/03/07/09/283030709.db2.gz OWSJRLQKVPRHSO-WCQYABFASA-N 1 2 292.335 2.336 20 5 CEBDLO COC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451549087 283030712 /nfs/dbraw/zinc/03/07/12/283030712.db2.gz OWSJRLQKVPRHSO-WCQYABFASA-N 1 2 292.335 2.336 20 5 CEBDLO Cc1ccc(Cc2noc(CCC(C)(C)[N+](=O)[O-])n2)c[nH+]1 ZINC000297851087 200291564 /nfs/dbraw/zinc/29/15/64/200291564.db2.gz STPCMHJIRRZQBY-UHFFFAOYSA-N 1 2 290.323 2.352 20 5 CEBDLO C[C@@H](CO)[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC1CCC1 ZINC000339145097 366675564 /nfs/dbraw/zinc/67/55/64/366675564.db2.gz JRKJFHXLRHBEBH-NSHDSACASA-N 1 2 294.351 2.283 20 5 CEBDLO C[C@@H](CO)[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC1CCC1 ZINC000339145097 366675568 /nfs/dbraw/zinc/67/55/68/366675568.db2.gz JRKJFHXLRHBEBH-NSHDSACASA-N 1 2 294.351 2.283 20 5 CEBDLO CC(C)N1CC[C@@H]([N@H+](C)Cc2ccccc2[N+](=O)[O-])C1=O ZINC000177650766 189061915 /nfs/dbraw/zinc/06/19/15/189061915.db2.gz SLIMWGNLLWXSJH-CQSZACIVSA-N 1 2 291.351 2.036 20 5 CEBDLO CC(C)N1CC[C@@H]([N@@H+](C)Cc2ccccc2[N+](=O)[O-])C1=O ZINC000177650766 189061916 /nfs/dbraw/zinc/06/19/16/189061916.db2.gz SLIMWGNLLWXSJH-CQSZACIVSA-N 1 2 291.351 2.036 20 5 CEBDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000083798309 363787773 /nfs/dbraw/zinc/78/77/73/363787773.db2.gz LBIXFQGIJXKUOQ-UHFFFAOYSA-N 1 2 294.698 2.244 20 5 CEBDLO C[C@H](Nc1sccc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000301974800 201283320 /nfs/dbraw/zinc/28/33/20/201283320.db2.gz BCSLBTKNPFMWLU-UWVGGRQHSA-N 1 2 285.369 2.177 20 5 CEBDLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000093771489 364225124 /nfs/dbraw/zinc/22/51/24/364225124.db2.gz IJHINRVBBILNDB-CYBMUJFWSA-N 1 2 291.351 2.004 20 5 CEBDLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000093771489 364225125 /nfs/dbraw/zinc/22/51/25/364225125.db2.gz IJHINRVBBILNDB-CYBMUJFWSA-N 1 2 291.351 2.004 20 5 CEBDLO COc1ccc(C[NH2+][C@@H](C)c2nc(C)no2)cc1[N+](=O)[O-] ZINC000340430382 366882995 /nfs/dbraw/zinc/88/29/95/366882995.db2.gz GWXSTFKAUSEIPT-QMMMGPOBSA-N 1 2 292.295 2.146 20 5 CEBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@H](O)C(F)(F)F ZINC000341117240 367181102 /nfs/dbraw/zinc/18/11/02/367181102.db2.gz FIJMDNRIQYSGEB-JTQLQIEISA-N 1 2 296.220 2.089 20 5 CEBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@H](O)C(F)(F)F ZINC000341117240 367181109 /nfs/dbraw/zinc/18/11/09/367181109.db2.gz FIJMDNRIQYSGEB-JTQLQIEISA-N 1 2 296.220 2.089 20 5 CEBDLO COC[C@@H]1CCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000586766109 367187685 /nfs/dbraw/zinc/18/76/85/367187685.db2.gz CYTWQSPZYIIDMG-VIFPVBQESA-N 1 2 286.278 2.484 20 5 CEBDLO COC[C@@H]1CCC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000586766109 367187690 /nfs/dbraw/zinc/18/76/90/367187690.db2.gz CYTWQSPZYIIDMG-VIFPVBQESA-N 1 2 286.278 2.484 20 5 CEBDLO Cc1c[nH+]c(CN[C@H](C)c2ccccc2[N+](=O)[O-])n1C ZINC000341281619 367264905 /nfs/dbraw/zinc/26/49/05/367264905.db2.gz LLPXMCMTLBTYMN-LLVKDONJSA-N 1 2 274.324 2.488 20 5 CEBDLO Cc1cnc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])n1C ZINC000341281619 367264909 /nfs/dbraw/zinc/26/49/09/367264909.db2.gz LLPXMCMTLBTYMN-LLVKDONJSA-N 1 2 274.324 2.488 20 5 CEBDLO C[C@@H]1CCN(c2ccc([N+](=O)[O-])nc2)C[C@@H]1n1cc[nH+]c1 ZINC000345312959 368231778 /nfs/dbraw/zinc/23/17/78/368231778.db2.gz STCNULHYXWGTRZ-YPMHNXCESA-N 1 2 287.323 2.274 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCOCC1 ZINC000182593844 368570308 /nfs/dbraw/zinc/57/03/08/368570308.db2.gz FCIJQFJTPQVAPT-LLVKDONJSA-N 1 2 250.298 2.296 20 5 CEBDLO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H](C)[S@@]1=O ZINC000352883125 369930923 /nfs/dbraw/zinc/93/09/23/369930923.db2.gz JAICDSKLKPGRMG-GIQGCJHYSA-N 1 2 296.392 2.326 20 5 CEBDLO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H](C)[S@@]1=O ZINC000352883125 369930926 /nfs/dbraw/zinc/93/09/26/369930926.db2.gz JAICDSKLKPGRMG-GIQGCJHYSA-N 1 2 296.392 2.326 20 5 CEBDLO Cc1nc(NC[C@@H](C)Cn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000268455194 372107921 /nfs/dbraw/zinc/10/79/21/372107921.db2.gz GOQQFYOBFQFBDP-SNVBAGLBSA-N 1 2 275.312 2.243 20 5 CEBDLO Cc1nc(NCc2ccc(N(C)C)[nH+]c2)ccc1[N+](=O)[O-] ZINC000268486154 372116330 /nfs/dbraw/zinc/11/63/30/372116330.db2.gz MKSJTKFBDKJRIJ-UHFFFAOYSA-N 1 2 287.323 2.371 20 5 CEBDLO COc1ccc([N+](=O)[O-])c(N(C)CCCn2cc[nH+]c2)c1 ZINC000268933638 372294927 /nfs/dbraw/zinc/29/49/27/372294927.db2.gz CWDHGRQJOAPCTI-UHFFFAOYSA-N 1 2 290.323 2.326 20 5 CEBDLO Cc1c([C@H](C)[NH2+][C@@H](C)c2nncn2C)cccc1[N+](=O)[O-] ZINC000268830509 372245119 /nfs/dbraw/zinc/24/51/19/372245119.db2.gz BZXWKGXYBWNQJT-QWRGUYRKSA-N 1 2 289.339 2.444 20 5 CEBDLO CCCCC[N@H+](CC(N)=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000272483801 373510339 /nfs/dbraw/zinc/51/03/39/373510339.db2.gz BLHLPGQDLUXKBL-UHFFFAOYSA-N 1 2 297.330 2.211 20 5 CEBDLO CCCCC[N@@H+](CC(N)=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000272483801 373510346 /nfs/dbraw/zinc/51/03/46/373510346.db2.gz BLHLPGQDLUXKBL-UHFFFAOYSA-N 1 2 297.330 2.211 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@](F)(CO)C2)cc1F ZINC000286980974 376120017 /nfs/dbraw/zinc/12/00/17/376120017.db2.gz PXTSKPMRUSEZSV-ZDUSSCGKSA-N 1 2 286.278 2.030 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@](F)(CO)C2)cc1F ZINC000286980974 376120023 /nfs/dbraw/zinc/12/00/23/376120023.db2.gz PXTSKPMRUSEZSV-ZDUSSCGKSA-N 1 2 286.278 2.030 20 5 CEBDLO C[C@@H](Nc1c(F)cccc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000287833339 376324243 /nfs/dbraw/zinc/32/42/43/376324243.db2.gz KUNYCZUHHWDQCE-MNOVXSKESA-N 1 2 297.330 2.255 20 5 CEBDLO O=C(NC1CCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000264503793 190114869 /nfs/dbraw/zinc/11/48/69/190114869.db2.gz IZBDXAXRPAXCOJ-UHFFFAOYSA-N 1 2 286.291 2.063 20 5 CEBDLO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@H](C)Cn1cc[nH+]c1 ZINC000290553688 376831521 /nfs/dbraw/zinc/83/15/21/376831521.db2.gz QTDMJFXEQUJVOM-SNVBAGLBSA-N 1 2 288.307 2.495 20 5 CEBDLO O=C(N[C@H]1CC12CC2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000424970414 377316608 /nfs/dbraw/zinc/31/66/08/377316608.db2.gz MOZSQFHYDMGCJY-ZDUSSCGKSA-N 1 2 298.302 2.063 20 5 CEBDLO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000331200860 377324702 /nfs/dbraw/zinc/32/47/02/377324702.db2.gz NDUIAINSISATBX-CYBMUJFWSA-N 1 2 280.324 2.036 20 5 CEBDLO CC(C)(O)[C@H]1CCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000331200860 377324712 /nfs/dbraw/zinc/32/47/12/377324712.db2.gz NDUIAINSISATBX-CYBMUJFWSA-N 1 2 280.324 2.036 20 5 CEBDLO Cc1ccnc(NCc2ccc(N(C)C)[nH+]c2)c1[N+](=O)[O-] ZINC000265290318 190172617 /nfs/dbraw/zinc/17/26/17/190172617.db2.gz XUOJNNRVFZYIFB-UHFFFAOYSA-N 1 2 287.323 2.371 20 5 CEBDLO C[C@@H]1CSCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000332333185 377570740 /nfs/dbraw/zinc/57/07/40/377570740.db2.gz PRDXVYUEJHBLMM-JTQLQIEISA-N 1 2 282.365 2.485 20 5 CEBDLO C[C@@H]1CSCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000332333185 377570743 /nfs/dbraw/zinc/57/07/43/377570743.db2.gz PRDXVYUEJHBLMM-JTQLQIEISA-N 1 2 282.365 2.485 20 5 CEBDLO O=[N+]([O-])c1cnn(Cc2c[nH+]cn2Cc2ccccc2)c1 ZINC000438316101 377894783 /nfs/dbraw/zinc/89/47/83/377894783.db2.gz OGXCAMPLBANVDK-UHFFFAOYSA-N 1 2 283.291 2.084 20 5 CEBDLO CC(=O)c1ccc(NCc2ccc(N)[nH+]c2)c([N+](=O)[O-])c1 ZINC000302790166 379453717 /nfs/dbraw/zinc/45/37/17/379453717.db2.gz YIVRRWRMWZUDEN-UHFFFAOYSA-N 1 2 286.291 2.387 20 5 CEBDLO CC[N@H+](Cc1cnn(C)c1)Cc1ccc([N+](=O)[O-])cc1F ZINC000267057894 190300063 /nfs/dbraw/zinc/30/00/63/190300063.db2.gz SENLWDIXULHAII-UHFFFAOYSA-N 1 2 292.314 2.490 20 5 CEBDLO CC[N@@H+](Cc1cnn(C)c1)Cc1ccc([N+](=O)[O-])cc1F ZINC000267057894 190300064 /nfs/dbraw/zinc/30/00/64/190300064.db2.gz SENLWDIXULHAII-UHFFFAOYSA-N 1 2 292.314 2.490 20 5 CEBDLO COC[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C(C)C ZINC000549932901 380614884 /nfs/dbraw/zinc/61/48/84/380614884.db2.gz XQNFUMLRDSKKKG-GFCCVEGCSA-N 1 2 268.313 2.061 20 5 CEBDLO C[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000492815512 380698381 /nfs/dbraw/zinc/69/83/81/380698381.db2.gz XJPQJBPTSRINGK-BRAIEQGRSA-N 1 2 286.291 2.209 20 5 CEBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000299092705 285159823 /nfs/dbraw/zinc/15/98/23/285159823.db2.gz ISLXSIODSQQLTL-ZIAGYGMSSA-N 1 2 262.309 2.348 20 5 CEBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000299092705 285159826 /nfs/dbraw/zinc/15/98/26/285159826.db2.gz ISLXSIODSQQLTL-ZIAGYGMSSA-N 1 2 262.309 2.348 20 5 CEBDLO O=[N+]([O-])c1cccnc1N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000364031629 285165811 /nfs/dbraw/zinc/16/58/11/285165811.db2.gz GYZFTFNRBWFSTI-SECBINFHSA-N 1 2 259.269 2.054 20 5 CEBDLO CCOc1ccc([N+](=O)[O-])cc1NCc1c[nH+]cn1C ZINC000281242184 195163265 /nfs/dbraw/zinc/16/32/65/195163265.db2.gz PSWXHRBIWHNAHU-UHFFFAOYSA-N 1 2 276.296 2.339 20 5 CEBDLO CC(C)(O)C1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413243387 394510592 /nfs/dbraw/zinc/51/05/92/394510592.db2.gz IPCKLAOIANMRIM-UHFFFAOYSA-N 1 2 287.319 2.350 20 5 CEBDLO CCn1nc(C)c([N+](=O)[O-])c1NCCc1ccc(C)c[nH+]1 ZINC000413345501 394531705 /nfs/dbraw/zinc/53/17/05/394531705.db2.gz FQSDMMMHNRYKJD-UHFFFAOYSA-N 1 2 289.339 2.478 20 5 CEBDLO Cc1cc(NCCCCn2cc[nH+]c2)ncc1[N+](=O)[O-] ZINC000092027088 394659665 /nfs/dbraw/zinc/65/96/65/394659665.db2.gz PCUSQSSDYIXEMJ-UHFFFAOYSA-N 1 2 275.312 2.387 20 5 CEBDLO Cc1sc(C(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000356839119 394627840 /nfs/dbraw/zinc/62/78/40/394627840.db2.gz CWHVAMYEZRQFCQ-BDAKNGLRSA-N 1 2 297.380 2.129 20 5 CEBDLO Cc1sc(C(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000356839119 394627843 /nfs/dbraw/zinc/62/78/43/394627843.db2.gz CWHVAMYEZRQFCQ-BDAKNGLRSA-N 1 2 297.380 2.129 20 5 CEBDLO CS[C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000331301815 394630440 /nfs/dbraw/zinc/63/04/40/394630440.db2.gz CFBCJLYEJISGMB-LLVKDONJSA-N 1 2 268.338 2.238 20 5 CEBDLO CS[C@@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000331301815 394630443 /nfs/dbraw/zinc/63/04/43/394630443.db2.gz CFBCJLYEJISGMB-LLVKDONJSA-N 1 2 268.338 2.238 20 5 CEBDLO CO[C@@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285914465 394984642 /nfs/dbraw/zinc/98/46/42/394984642.db2.gz HPAYGVBHXYFREJ-SNVBAGLBSA-N 1 2 286.278 2.484 20 5 CEBDLO CO[C@@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285914465 394984645 /nfs/dbraw/zinc/98/46/45/394984645.db2.gz HPAYGVBHXYFREJ-SNVBAGLBSA-N 1 2 286.278 2.484 20 5 CEBDLO CCc1ncc(C[NH2+]Cc2ccccc2[N+](=O)[O-])o1 ZINC000449610048 395557396 /nfs/dbraw/zinc/55/73/96/395557396.db2.gz PGKCMIFRVCCPTD-UHFFFAOYSA-N 1 2 261.281 2.435 20 5 CEBDLO CCCN1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1=O ZINC000189209188 153086659 /nfs/dbraw/zinc/08/66/59/153086659.db2.gz PBTASPHOQWZZGD-UHFFFAOYSA-N 1 2 291.351 2.039 20 5 CEBDLO CCCN1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1=O ZINC000189209188 153086661 /nfs/dbraw/zinc/08/66/61/153086661.db2.gz PBTASPHOQWZZGD-UHFFFAOYSA-N 1 2 291.351 2.039 20 5 CEBDLO O=[N+]([O-])c1cc(CN2CCn3c[nH+]cc3C2)ccc1Cl ZINC000367966105 156263063 /nfs/dbraw/zinc/26/30/63/156263063.db2.gz NTDVQZQVEGLMMR-UHFFFAOYSA-N 1 2 292.726 2.461 20 5 CEBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CC(O)(C2CC2)C1 ZINC000375518977 157107423 /nfs/dbraw/zinc/10/74/23/157107423.db2.gz HDEJKNUBRUJDSI-JTQLQIEISA-N 1 2 262.309 2.113 20 5 CEBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@](F)(CO)C1 ZINC000338629222 287152580 /nfs/dbraw/zinc/15/25/80/287152580.db2.gz YIDUHLWPHQEAFL-GXFFZTMASA-N 1 2 268.288 2.062 20 5 CEBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@](F)(CO)C1 ZINC000338629222 287152581 /nfs/dbraw/zinc/15/25/81/287152581.db2.gz YIDUHLWPHQEAFL-GXFFZTMASA-N 1 2 268.288 2.062 20 5 CEBDLO COc1cc(Cn2cc[nH+]c2)c([N+](=O)[O-])cc1OC(F)F ZINC000078288640 177330663 /nfs/dbraw/zinc/33/06/63/177330663.db2.gz BXZYPFNWLXKQFJ-UHFFFAOYSA-N 1 2 299.233 2.450 20 5 CEBDLO COC(=O)C1(C)C[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000425373479 264202793 /nfs/dbraw/zinc/20/27/93/264202793.db2.gz MYUCLVCACWQIPJ-UHFFFAOYSA-N 1 2 298.726 2.243 20 5 CEBDLO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000330517312 278337141 /nfs/dbraw/zinc/33/71/41/278337141.db2.gz NOWJVGSHILWVFL-UHFFFAOYSA-N 1 2 250.298 2.206 20 5 CEBDLO CC1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000330517312 278337142 /nfs/dbraw/zinc/33/71/42/278337142.db2.gz NOWJVGSHILWVFL-UHFFFAOYSA-N 1 2 250.298 2.206 20 5 CEBDLO Cc1[nH+]c2ccccn2c1Cn1ccc(C)c([N+](=O)[O-])c1=O ZINC000129623738 279917916 /nfs/dbraw/zinc/91/79/16/279917916.db2.gz XYFBRDRGZWSHHG-UHFFFAOYSA-N 1 2 298.302 2.069 20 5 CEBDLO CC[C@@H](C)[N@H+](CC(=O)OC)Cc1ccccc1[N+](=O)[O-] ZINC000337218589 280102857 /nfs/dbraw/zinc/10/28/57/280102857.db2.gz AXBPVWKACSCNNA-LLVKDONJSA-N 1 2 280.324 2.368 20 5 CEBDLO CC[C@@H](C)[N@@H+](CC(=O)OC)Cc1ccccc1[N+](=O)[O-] ZINC000337218589 280102859 /nfs/dbraw/zinc/10/28/59/280102859.db2.gz AXBPVWKACSCNNA-LLVKDONJSA-N 1 2 280.324 2.368 20 5 CEBDLO O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2[nH]cc[nH+]2)nc1 ZINC000364038492 280366337 /nfs/dbraw/zinc/36/63/37/280366337.db2.gz WIKLDBRUTVWGBI-SNVBAGLBSA-N 1 2 259.269 2.054 20 5 CEBDLO COC1(C)C[NH+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000459587999 290187785 /nfs/dbraw/zinc/18/77/85/290187785.db2.gz QMHXYLPMHWNRAU-UHFFFAOYSA-N 1 2 250.298 2.124 20 5 CEBDLO COc1cc(C[NH2+][C@@H](C)c2ccn(C)n2)ccc1[N+](=O)[O-] ZINC000459771437 290233973 /nfs/dbraw/zinc/23/39/73/290233973.db2.gz BHVWBTXERZJQAQ-JTQLQIEISA-N 1 2 290.323 2.188 20 5 CEBDLO Cc1nnc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)o1 ZINC000541688322 298282798 /nfs/dbraw/zinc/28/27/98/298282798.db2.gz QFMGPZJFGPHEHG-QMMMGPOBSA-N 1 2 262.269 2.137 20 5 CEBDLO Cn1c[nH+]c2c1CCN(c1cc(F)ccc1[N+](=O)[O-])C2 ZINC000365096315 303022940 /nfs/dbraw/zinc/02/29/40/303022940.db2.gz BZMTZCDPIRQCOU-UHFFFAOYSA-N 1 2 276.271 2.030 20 5 CEBDLO Cc1c(-c2nc(Cc3c[nH+]cn3C)no2)cccc1[N+](=O)[O-] ZINC000357941150 518185684 /nfs/dbraw/zinc/18/56/84/518185684.db2.gz CUAMIPGVBNTFLC-UHFFFAOYSA-N 1 2 299.290 2.278 20 5 CEBDLO COC[C@@H]1C[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000182808889 522509707 /nfs/dbraw/zinc/50/97/07/522509707.db2.gz YUOCLUJMTPWAQI-JSGCOSHPSA-N 1 2 294.351 2.311 20 5 CEBDLO COC[C@@H]1C[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000182808889 522509723 /nfs/dbraw/zinc/50/97/23/522509723.db2.gz YUOCLUJMTPWAQI-JSGCOSHPSA-N 1 2 294.351 2.311 20 5 CEBDLO C[C@@H]([NH2+]Cc1nnc(C2CC2)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000182797365 525558574 /nfs/dbraw/zinc/55/85/74/525558574.db2.gz SDMQPKRZEVDIRT-SECBINFHSA-N 1 2 287.323 2.441 20 5 CEBDLO CC(=Cc1cccc([N+](=O)[O-])c1)CNc1ccc(CO)c[nH+]1 ZINC000356328010 527529069 /nfs/dbraw/zinc/52/90/69/527529069.db2.gz ZTGOZEMPODCNEE-KPKJPENVSA-N 1 2 299.330 2.419 20 5 CEBDLO CC(C)(C)OC1CC[NH+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000120610219 622768227 /nfs/dbraw/zinc/76/82/27/622768227.db2.gz IDLITZUNJJBALR-UHFFFAOYSA-N 1 2 282.344 2.028 20 5 CEBDLO CCC1(CC)[C@H]([N@H+](C)Cn2nccc2[N+](=O)[O-])C[C@@H]1OC ZINC000165044334 622768311 /nfs/dbraw/zinc/76/83/11/622768311.db2.gz PDWQFGBDFKLSCC-NEPJUHHUSA-N 1 2 296.371 2.274 20 5 CEBDLO CCC1(CC)[C@H]([N@@H+](C)Cn2nccc2[N+](=O)[O-])C[C@@H]1OC ZINC000165044334 622768315 /nfs/dbraw/zinc/76/83/15/622768315.db2.gz PDWQFGBDFKLSCC-NEPJUHHUSA-N 1 2 296.371 2.274 20 5 CEBDLO Cc1c(CNc2cc(N(C)C)nc[nH+]2)cccc1[N+](=O)[O-] ZINC000893452083 628621531 /nfs/dbraw/zinc/62/15/31/628621531.db2.gz IWJCTABHEUXMMS-UHFFFAOYSA-N 1 2 287.323 2.371 20 5 CEBDLO Cc1c(CNc2cc(N(C)C)[nH+]cn2)cccc1[N+](=O)[O-] ZINC000893452083 628621534 /nfs/dbraw/zinc/62/15/34/628621534.db2.gz IWJCTABHEUXMMS-UHFFFAOYSA-N 1 2 287.323 2.371 20 5 CEBDLO O=[N+]([O-])c1ccc(F)cc1CN1CCc2[nH+]c[nH]c2C1 ZINC000821270167 634671063 /nfs/dbraw/zinc/67/10/63/634671063.db2.gz KKTXUSPAFOVGFC-UHFFFAOYSA-N 1 2 276.271 2.015 20 5 CEBDLO Cc1nn(C[N@@H+]2CCC(C)=C(C)C2)cc1[N+](=O)[O-] ZINC000794881298 629345391 /nfs/dbraw/zinc/34/53/91/629345391.db2.gz OKYUZVOKGXVPTC-UHFFFAOYSA-N 1 2 250.302 2.099 20 5 CEBDLO Cc1nn(C[N@H+]2CCC(C)=C(C)C2)cc1[N+](=O)[O-] ZINC000794881298 629345466 /nfs/dbraw/zinc/34/54/66/629345466.db2.gz OKYUZVOKGXVPTC-UHFFFAOYSA-N 1 2 250.302 2.099 20 5 CEBDLO O=[N+]([O-])c1cccnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000895350191 630129168 /nfs/dbraw/zinc/12/91/68/630129168.db2.gz DGROPMJSVKXDQD-UHFFFAOYSA-N 1 2 299.334 2.466 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802233886 631408687 /nfs/dbraw/zinc/40/86/87/631408687.db2.gz WHHODWQVUXGPKH-GFCCVEGCSA-N 1 2 296.298 2.104 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802233886 631408690 /nfs/dbraw/zinc/40/86/90/631408690.db2.gz WHHODWQVUXGPKH-GFCCVEGCSA-N 1 2 296.298 2.104 20 5 CEBDLO Cc1cc(C(=O)O[C@H]2CC[N@H+](CCF)C2)cc([N+](=O)[O-])c1 ZINC000802241806 631413227 /nfs/dbraw/zinc/41/32/27/631413227.db2.gz ATXFRPVIYASLRO-ZDUSSCGKSA-N 1 2 296.298 2.104 20 5 CEBDLO Cc1cc(C(=O)O[C@H]2CC[N@@H+](CCF)C2)cc([N+](=O)[O-])c1 ZINC000802241806 631413231 /nfs/dbraw/zinc/41/32/31/631413231.db2.gz ATXFRPVIYASLRO-ZDUSSCGKSA-N 1 2 296.298 2.104 20 5 CEBDLO C[C@@H]1COCC[N@@H+]1CCNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000804431707 631680705 /nfs/dbraw/zinc/68/07/05/631680705.db2.gz WAERRWGTAFYTDF-SNVBAGLBSA-N 1 2 299.758 2.381 20 5 CEBDLO C[C@@H]1COCC[N@H+]1CCNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000804431707 631680706 /nfs/dbraw/zinc/68/07/06/631680706.db2.gz WAERRWGTAFYTDF-SNVBAGLBSA-N 1 2 299.758 2.381 20 5 CEBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000898187505 632100809 /nfs/dbraw/zinc/10/08/09/632100809.db2.gz KIKFQOVHHCLDGU-LBXBEFBNSA-N 1 2 294.326 2.403 20 5 CEBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000898187505 632100815 /nfs/dbraw/zinc/10/08/15/632100815.db2.gz KIKFQOVHHCLDGU-LBXBEFBNSA-N 1 2 294.326 2.403 20 5 CEBDLO COc1cc([C@H](C)[NH2+]Cc2nccn2C)cc([N+](=O)[O-])c1 ZINC000903089820 634964517 /nfs/dbraw/zinc/96/45/17/634964517.db2.gz STWODWNBDNCPHU-JTQLQIEISA-N 1 2 290.323 2.188 20 5 CEBDLO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1ccon1 ZINC000848531658 642037749 /nfs/dbraw/zinc/03/77/49/642037749.db2.gz QSDORMSUOIYTNC-LBPRGKRZSA-N 1 2 259.265 2.360 20 5 CEBDLO O=[N+]([O-])c1cnn(C[NH+]2CCC(C3CCC3)CC2)c1 ZINC000853535126 643804888 /nfs/dbraw/zinc/80/48/88/643804888.db2.gz TXXFPNJKFUCFCG-UHFFFAOYSA-N 1 2 264.329 2.261 20 5 CEBDLO CCn1ncc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000838968739 644100804 /nfs/dbraw/zinc/10/08/04/644100804.db2.gz QDYDDXKMHWEVIR-LLVKDONJSA-N 1 2 289.339 2.365 20 5 CEBDLO O=C(NCc1ccccc1[N+](=O)[O-])c1cccc2[nH+]ccn21 ZINC000755376701 644510762 /nfs/dbraw/zinc/51/07/62/644510762.db2.gz ZZLRIQOOCZJWPL-UHFFFAOYSA-N 1 2 296.286 2.173 20 5 CEBDLO O=C(OCCn1cc[nH+]c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000763113118 645506906 /nfs/dbraw/zinc/50/69/06/645506906.db2.gz NMVRAVQGDCNSSJ-UHFFFAOYSA-N 1 2 295.682 2.302 20 5 CEBDLO CC(=O)c1c(NCCCn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000763207174 645516033 /nfs/dbraw/zinc/51/60/33/645516033.db2.gz UKDNMFBULJHYOW-UHFFFAOYSA-N 1 2 288.307 2.496 20 5 CEBDLO C[C@H](C(=O)OCCn1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000763410716 645542701 /nfs/dbraw/zinc/54/27/01/645542701.db2.gz XUFSHXJSYCCDJF-NSHDSACASA-N 1 2 289.291 2.138 20 5 CEBDLO CCC1(CC)C[N@H+](Cn2cc([N+](=O)[O-])cn2)CCS1 ZINC000767476202 645996182 /nfs/dbraw/zinc/99/61/82/645996182.db2.gz MOMCPWFWORQRIP-UHFFFAOYSA-N 1 2 284.385 2.356 20 5 CEBDLO CCC1(CC)C[N@@H+](Cn2cc([N+](=O)[O-])cn2)CCS1 ZINC000767476202 645996184 /nfs/dbraw/zinc/99/61/84/645996184.db2.gz MOMCPWFWORQRIP-UHFFFAOYSA-N 1 2 284.385 2.356 20 5 CEBDLO Cc1cc(C[N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)no1 ZINC000776578055 647072680 /nfs/dbraw/zinc/07/26/80/647072680.db2.gz AGXKDDUJZCEOHV-CQSZACIVSA-N 1 2 291.307 2.057 20 5 CEBDLO Cc1cc(C[N@@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)no1 ZINC000776578055 647072686 /nfs/dbraw/zinc/07/26/86/647072686.db2.gz AGXKDDUJZCEOHV-CQSZACIVSA-N 1 2 291.307 2.057 20 5 CEBDLO CC[C@H]([NH2+]CC[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000791054617 648477052 /nfs/dbraw/zinc/47/70/52/648477052.db2.gz LZDOOHXUQIIQGP-LURJTMIESA-N 1 2 283.275 2.479 20 5 CEBDLO C[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872025030 649244536 /nfs/dbraw/zinc/24/45/36/649244536.db2.gz YJTPFXWNFVAMGV-HZGVNTEJSA-N 1 2 296.220 2.308 20 5 CEBDLO CC(C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872078705 649265854 /nfs/dbraw/zinc/26/58/54/649265854.db2.gz DMFNKZVNLBYQNM-VHSXEESVSA-N 1 2 297.330 2.298 20 5 CEBDLO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CC=CCC2)o1 ZINC000878384853 651082848 /nfs/dbraw/zinc/08/28/48/651082848.db2.gz RIKVYENOOKIGIB-UHFFFAOYSA-N 1 2 286.291 2.407 20 5 CEBDLO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CC=CCC2)o1 ZINC000878384853 651082852 /nfs/dbraw/zinc/08/28/52/651082852.db2.gz RIKVYENOOKIGIB-UHFFFAOYSA-N 1 2 286.291 2.407 20 5 CEBDLO C[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccnn1C ZINC000879684682 651338979 /nfs/dbraw/zinc/33/89/79/651338979.db2.gz MKRJSTNJFCSACO-VIFPVBQESA-N 1 2 278.287 2.318 20 5 CEBDLO Cc1cc(Cl)c(NC[C@@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC001162694587 809744414 /nfs/dbraw/zinc/74/44/14/809744414.db2.gz QJPFPUKXOPGPCA-SNVBAGLBSA-N 1 2 299.758 2.299 20 5 CEBDLO Cc1cc(Cl)c(NC[C@@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC001162694587 809744419 /nfs/dbraw/zinc/74/44/19/809744419.db2.gz QJPFPUKXOPGPCA-SNVBAGLBSA-N 1 2 299.758 2.299 20 5 CEBDLO C[C@@H](NC(=O)[C@@H](C)n1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1 ZINC001119642463 815144659 /nfs/dbraw/zinc/14/46/59/815144659.db2.gz ZDZLKIOEMVLUTC-GHMZBOCLSA-N 1 2 288.307 2.230 20 5 CEBDLO CCc1nnc(-c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)o1 ZINC001117171054 814904918 /nfs/dbraw/zinc/90/49/18/814904918.db2.gz UDLRXLDFZXPPPU-UHFFFAOYSA-N 1 2 285.263 2.393 20 5 CEBDLO CCOC(=O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449505388 282261773 /nfs/dbraw/zinc/26/17/73/282261773.db2.gz XGDMVAHTOVCUKP-CYBMUJFWSA-N 1 2 292.335 2.337 20 5 CEBDLO CCOC(=O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449505388 282261774 /nfs/dbraw/zinc/26/17/74/282261774.db2.gz XGDMVAHTOVCUKP-CYBMUJFWSA-N 1 2 292.335 2.337 20 5 CEBDLO Cc1ncc([N+](=O)[O-])n1Cc1cn2cccc(C)c2[nH+]1 ZINC000117111404 344287935 /nfs/dbraw/zinc/28/79/35/344287935.db2.gz WFKAXAVWMZSRGB-UHFFFAOYSA-N 1 2 271.280 2.104 20 5 CEBDLO Cc1cc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)cc([N+](=O)[O-])c1 ZINC000140795688 344398994 /nfs/dbraw/zinc/39/89/94/344398994.db2.gz VTYXUAOOYCTSKG-SECBINFHSA-N 1 2 274.280 2.117 20 5 CEBDLO Cn1cc(C[N@@H+]2CCc3ccc(F)cc3C2)c([N+](=O)[O-])n1 ZINC000602473476 347047995 /nfs/dbraw/zinc/04/79/95/347047995.db2.gz NGBYTQCNDVSGNH-UHFFFAOYSA-N 1 2 290.298 2.026 20 5 CEBDLO Cn1cc(C[N@H+]2CCc3ccc(F)cc3C2)c([N+](=O)[O-])n1 ZINC000602473476 347047996 /nfs/dbraw/zinc/04/79/96/347047996.db2.gz NGBYTQCNDVSGNH-UHFFFAOYSA-N 1 2 290.298 2.026 20 5 CEBDLO C[C@@H](Cn1cc[nH+]c1)Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000315885591 344748391 /nfs/dbraw/zinc/74/83/91/344748391.db2.gz AYPMBUYPPHCPLV-JTQLQIEISA-N 1 2 298.306 2.235 20 5 CEBDLO COc1cc[nH+]cc1CNc1cccnc1[N+](=O)[O-] ZINC000590061093 345112290 /nfs/dbraw/zinc/11/22/90/345112290.db2.gz MDNNAWVTDBWNMZ-UHFFFAOYSA-N 1 2 260.253 2.006 20 5 CEBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCn2c[nH+]cc2C1 ZINC000590599841 345150193 /nfs/dbraw/zinc/15/01/93/345150193.db2.gz RPRWOVBUAAJHGA-NSHDSACASA-N 1 2 272.308 2.368 20 5 CEBDLO C[C@@H](O)C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000594065490 345577048 /nfs/dbraw/zinc/57/70/48/345577048.db2.gz QSFHYYANMZTGAT-SECBINFHSA-N 1 2 268.288 2.079 20 5 CEBDLO C[C@@H](O)C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000594065490 345577049 /nfs/dbraw/zinc/57/70/49/345577049.db2.gz QSFHYYANMZTGAT-SECBINFHSA-N 1 2 268.288 2.079 20 5 CEBDLO COc1ccc(C[NH+]2CC3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC000594609138 345660408 /nfs/dbraw/zinc/66/04/08/345660408.db2.gz QRGFIBBVCIBBAC-UHFFFAOYSA-N 1 2 284.262 2.444 20 5 CEBDLO CC[C@H]1COC(C)(C)C[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595559639 345812830 /nfs/dbraw/zinc/81/28/30/345812830.db2.gz SZCBPZIXVBGESC-JTQLQIEISA-N 1 2 283.328 2.281 20 5 CEBDLO CC[C@H]1COC(C)(C)C[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595559639 345812832 /nfs/dbraw/zinc/81/28/32/345812832.db2.gz SZCBPZIXVBGESC-JTQLQIEISA-N 1 2 283.328 2.281 20 5 CEBDLO Cc1noc(C[N@H+](C)CCc2nccs2)c1[N+](=O)[O-] ZINC000595395659 345773838 /nfs/dbraw/zinc/77/38/38/345773838.db2.gz JUJLSMMRJFTCOE-UHFFFAOYSA-N 1 2 282.325 2.022 20 5 CEBDLO Cc1noc(C[N@@H+](C)CCc2nccs2)c1[N+](=O)[O-] ZINC000595395659 345773842 /nfs/dbraw/zinc/77/38/42/345773842.db2.gz JUJLSMMRJFTCOE-UHFFFAOYSA-N 1 2 282.325 2.022 20 5 CEBDLO CN(Cc1[nH]cc[nH+]1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000595401258 345774833 /nfs/dbraw/zinc/77/48/33/345774833.db2.gz CVIPCLACQBIDFQ-UHFFFAOYSA-N 1 2 282.250 2.228 20 5 CEBDLO CN(Cc1c[nH+]c[nH]1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000595595118 345821138 /nfs/dbraw/zinc/82/11/38/345821138.db2.gz CHWWXJAVGYOTES-UHFFFAOYSA-N 1 2 264.260 2.089 20 5 CEBDLO CN(Cc1c[nH]c[nH+]1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000595595118 345821143 /nfs/dbraw/zinc/82/11/43/345821143.db2.gz CHWWXJAVGYOTES-UHFFFAOYSA-N 1 2 264.260 2.089 20 5 CEBDLO Cc1cc(N2CCn3c[nH+]cc3C2)c([N+](=O)[O-])s1 ZINC000596238543 345977239 /nfs/dbraw/zinc/97/72/39/345977239.db2.gz NSTHBDQCCQMQHM-UHFFFAOYSA-N 1 2 264.310 2.181 20 5 CEBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1ccsc1[N+](=O)[O-] ZINC000596428088 346020800 /nfs/dbraw/zinc/02/08/00/346020800.db2.gz GYGVUNMIHXGORC-ZJUUUORDSA-N 1 2 285.369 2.177 20 5 CEBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1ccsc1[N+](=O)[O-] ZINC000596428088 346020801 /nfs/dbraw/zinc/02/08/01/346020801.db2.gz GYGVUNMIHXGORC-ZJUUUORDSA-N 1 2 285.369 2.177 20 5 CEBDLO CCOC1CC([N@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339197917 215008893 /nfs/dbraw/zinc/00/88/93/215008893.db2.gz GDHNGCNJTCZDQT-UHFFFAOYSA-N 1 2 280.324 2.300 20 5 CEBDLO CCOC1CC([N@@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339197917 215008895 /nfs/dbraw/zinc/00/88/95/215008895.db2.gz GDHNGCNJTCZDQT-UHFFFAOYSA-N 1 2 280.324 2.300 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000119752328 136535785 /nfs/dbraw/zinc/53/57/85/136535785.db2.gz HTHYNYNCDYVELY-UHFFFAOYSA-N 1 2 299.334 2.020 20 5 CEBDLO CNC(=O)CCCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599024487 346448207 /nfs/dbraw/zinc/44/82/07/346448207.db2.gz RXXKUKAJLYGQOQ-UHFFFAOYSA-N 1 2 288.307 2.081 20 5 CEBDLO C[C@@H](O)[C@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599065467 346454317 /nfs/dbraw/zinc/45/43/17/346454317.db2.gz LSUGKLRNMNLEMO-PWSUYJOCSA-N 1 2 287.319 2.350 20 5 CEBDLO O=[N+]([O-])c1c(NCCCCO)ccc2c[nH+]ccc21 ZINC000599075159 346456833 /nfs/dbraw/zinc/45/68/33/346456833.db2.gz YRXUZFUWIGCPOF-UHFFFAOYSA-N 1 2 261.281 2.327 20 5 CEBDLO CCOC[C@H]1C[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000599616643 346546474 /nfs/dbraw/zinc/54/64/74/346546474.db2.gz FLDUYUFGTUDVFR-QWHCGFSZSA-N 1 2 294.351 2.393 20 5 CEBDLO CCOC[C@H]1C[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000599616643 346546479 /nfs/dbraw/zinc/54/64/79/346546479.db2.gz FLDUYUFGTUDVFR-QWHCGFSZSA-N 1 2 294.351 2.393 20 5 CEBDLO COC(=O)[C@H](CC1CC1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602695945 347152692 /nfs/dbraw/zinc/15/26/92/347152692.db2.gz PDTGJDOZIQBFRL-AWEZNQCLSA-N 1 2 292.335 2.069 20 5 CEBDLO Cn1cc(C[N@@H+]2CC[C@H]2c2ccc(F)cc2)c([N+](=O)[O-])n1 ZINC000602884969 347237935 /nfs/dbraw/zinc/23/79/35/347237935.db2.gz LYGONVUKRXRGRN-ZDUSSCGKSA-N 1 2 290.298 2.414 20 5 CEBDLO Cn1cc(C[N@H+]2CC[C@H]2c2ccc(F)cc2)c([N+](=O)[O-])n1 ZINC000602884969 347237938 /nfs/dbraw/zinc/23/79/38/347237938.db2.gz LYGONVUKRXRGRN-ZDUSSCGKSA-N 1 2 290.298 2.414 20 5 CEBDLO O=[N+]([O-])c1cnccc1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609132744 347626789 /nfs/dbraw/zinc/62/67/89/347626789.db2.gz HSDPTVKLSAPXPZ-NSHDSACASA-N 1 2 273.296 2.028 20 5 CEBDLO C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCCO1 ZINC000618279292 348917078 /nfs/dbraw/zinc/91/70/78/348917078.db2.gz OKVDUFFFNJTHJS-SNVBAGLBSA-N 1 2 290.323 2.082 20 5 CEBDLO C[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCCO1 ZINC000618279292 348917082 /nfs/dbraw/zinc/91/70/82/348917082.db2.gz OKVDUFFFNJTHJS-SNVBAGLBSA-N 1 2 290.323 2.082 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@H](C)[C@H]1C ZINC000339567904 215248828 /nfs/dbraw/zinc/24/88/28/215248828.db2.gz HRCBAUDLKJAYND-WDEREUQCSA-N 1 2 277.324 2.182 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@H](C)[C@H]1C ZINC000339567904 215248829 /nfs/dbraw/zinc/24/88/29/215248829.db2.gz HRCBAUDLKJAYND-WDEREUQCSA-N 1 2 277.324 2.182 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000104659684 186011227 /nfs/dbraw/zinc/01/12/27/186011227.db2.gz TXEDNUKKERKFOG-QWHCGFSZSA-N 1 2 293.367 2.424 20 5 CEBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCCC[C@H]2C2OCCO2)cs1 ZINC000110875322 186330708 /nfs/dbraw/zinc/33/07/08/186330708.db2.gz QHSVERIJWYHZQK-NSHDSACASA-N 1 2 298.364 2.384 20 5 CEBDLO O=[N+]([O-])c1cc(C[N@H+]2CCCC[C@H]2C2OCCO2)cs1 ZINC000110875322 186330710 /nfs/dbraw/zinc/33/07/10/186330710.db2.gz QHSVERIJWYHZQK-NSHDSACASA-N 1 2 298.364 2.384 20 5 CEBDLO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])nc2)c2[nH+]ccn21 ZINC000450821456 282786471 /nfs/dbraw/zinc/78/64/71/282786471.db2.gz RDHVUIJKNWRDOB-WCBMZHEXSA-N 1 2 259.269 2.304 20 5 CEBDLO COc1cc(NCc2[nH+]ccn2C)c([N+](=O)[O-])cc1F ZINC000271576129 191223284 /nfs/dbraw/zinc/22/32/84/191223284.db2.gz CSAKLFXNUIZMJA-UHFFFAOYSA-N 1 2 280.259 2.088 20 5 CEBDLO CC(C)n1nnnc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451106895 282893585 /nfs/dbraw/zinc/89/35/85/282893585.db2.gz QCKCXXSTPCLEIH-JTQLQIEISA-N 1 2 290.327 2.013 20 5 CEBDLO Cc1nonc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296825812 200007808 /nfs/dbraw/zinc/00/78/08/200007808.db2.gz VZGBCAROYZUBDY-QMMMGPOBSA-N 1 2 262.269 2.137 20 5 CEBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@](F)(CO)C1 ZINC000338998936 366606672 /nfs/dbraw/zinc/60/66/72/366606672.db2.gz INBHXWNIQFRRNW-LYKUJDHUSA-N 1 2 280.299 2.014 20 5 CEBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@](F)(CO)C1 ZINC000338998936 366606674 /nfs/dbraw/zinc/60/66/74/366606674.db2.gz INBHXWNIQFRRNW-LYKUJDHUSA-N 1 2 280.299 2.014 20 5 CEBDLO Cc1nn(C)cc1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000179314875 189185571 /nfs/dbraw/zinc/18/55/71/189185571.db2.gz NTUWJNJQEYYOQH-UHFFFAOYSA-N 1 2 274.324 2.269 20 5 CEBDLO Cc1nn(C)cc1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000179314875 189185572 /nfs/dbraw/zinc/18/55/72/189185572.db2.gz NTUWJNJQEYYOQH-UHFFFAOYSA-N 1 2 274.324 2.269 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000339168069 366687648 /nfs/dbraw/zinc/68/76/48/366687648.db2.gz KCAYCTFSHNGIGY-CABCVRRESA-N 1 2 292.335 2.444 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000339168069 366687652 /nfs/dbraw/zinc/68/76/52/366687652.db2.gz KCAYCTFSHNGIGY-CABCVRRESA-N 1 2 292.335 2.444 20 5 CEBDLO C[C@@H]1CSC[C@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339193139 366693024 /nfs/dbraw/zinc/69/30/24/366693024.db2.gz SFHAGRPEKCUZHX-LDYMZIIASA-N 1 2 268.338 2.142 20 5 CEBDLO Cc1cc(NCC[N@@H+]2CCO[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000581641072 366804388 /nfs/dbraw/zinc/80/43/88/366804388.db2.gz OMXKRFIUZHZHAR-LLVKDONJSA-N 1 2 297.330 2.175 20 5 CEBDLO Cc1cc(NCC[N@H+]2CCO[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000581641072 366804391 /nfs/dbraw/zinc/80/43/91/366804391.db2.gz OMXKRFIUZHZHAR-LLVKDONJSA-N 1 2 297.330 2.175 20 5 CEBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCOC[C@@H]2C2CC2)c1 ZINC000090007827 364032088 /nfs/dbraw/zinc/03/20/88/364032088.db2.gz DFXINSQTCZJRMQ-CQSZACIVSA-N 1 2 262.309 2.206 20 5 CEBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCOC[C@@H]2C2CC2)c1 ZINC000090007827 364032094 /nfs/dbraw/zinc/03/20/94/364032094.db2.gz DFXINSQTCZJRMQ-CQSZACIVSA-N 1 2 262.309 2.206 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC[C@@H]2C2CC2)c(F)c1 ZINC000090008584 364034208 /nfs/dbraw/zinc/03/42/08/364034208.db2.gz QNBKKAWWLXFPGI-CQSZACIVSA-N 1 2 280.299 2.345 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCOC[C@@H]2C2CC2)c(F)c1 ZINC000090008584 364034210 /nfs/dbraw/zinc/03/42/10/364034210.db2.gz QNBKKAWWLXFPGI-CQSZACIVSA-N 1 2 280.299 2.345 20 5 CEBDLO CCC[N@H+](CC(=O)OC)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094775824 364295672 /nfs/dbraw/zinc/29/56/72/364295672.db2.gz KFJMBTBZAGPDCW-UHFFFAOYSA-N 1 2 284.287 2.119 20 5 CEBDLO CCC[N@@H+](CC(=O)OC)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094775824 364295677 /nfs/dbraw/zinc/29/56/77/364295677.db2.gz KFJMBTBZAGPDCW-UHFFFAOYSA-N 1 2 284.287 2.119 20 5 CEBDLO CC(C)[NH+]1CC(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000275267732 192983275 /nfs/dbraw/zinc/98/32/75/192983275.db2.gz SKNDTYJNOWVJHC-UHFFFAOYSA-N 1 2 297.742 2.071 20 5 CEBDLO Cc1[nH]c2ccc(Cn3cc([N+](=O)[O-])cc(C)c3=O)cc2[nH+]1 ZINC000342650883 367469301 /nfs/dbraw/zinc/46/93/01/367469301.db2.gz IBENGTULSMIAKT-UHFFFAOYSA-N 1 2 298.302 2.298 20 5 CEBDLO Cc1[nH]c2cc(Cn3cc([N+](=O)[O-])cc(C)c3=O)ccc2[nH+]1 ZINC000342650883 367469310 /nfs/dbraw/zinc/46/93/10/367469310.db2.gz IBENGTULSMIAKT-UHFFFAOYSA-N 1 2 298.302 2.298 20 5 CEBDLO CCc1c[nH+]ccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000358016620 370872126 /nfs/dbraw/zinc/87/21/26/370872126.db2.gz UHOSCXVTBOSCFM-UHFFFAOYSA-N 1 2 285.303 2.155 20 5 CEBDLO Cc1c(C[N@H+](C)Cc2cnccn2)cccc1[N+](=O)[O-] ZINC000174638155 368050494 /nfs/dbraw/zinc/05/04/94/368050494.db2.gz PWZFFUQSODENKC-UHFFFAOYSA-N 1 2 272.308 2.325 20 5 CEBDLO Cc1c(C[N@@H+](C)Cc2cnccn2)cccc1[N+](=O)[O-] ZINC000174638155 368050500 /nfs/dbraw/zinc/05/05/00/368050500.db2.gz PWZFFUQSODENKC-UHFFFAOYSA-N 1 2 272.308 2.325 20 5 CEBDLO Cc1c([C@@H](C)[NH2+][C@H](C)c2ncnn2C)cccc1[N+](=O)[O-] ZINC000276535303 193371422 /nfs/dbraw/zinc/37/14/22/193371422.db2.gz DCHPVQSRIAKKRB-GHMZBOCLSA-N 1 2 289.339 2.444 20 5 CEBDLO CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(=O)OC ZINC000353340891 284372665 /nfs/dbraw/zinc/37/26/65/284372665.db2.gz YRFDLYLMOJVFMS-VURMDHGXSA-N 1 2 278.308 2.103 20 5 CEBDLO CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(=O)OC ZINC000353340891 284372667 /nfs/dbraw/zinc/37/26/67/284372667.db2.gz YRFDLYLMOJVFMS-VURMDHGXSA-N 1 2 278.308 2.103 20 5 CEBDLO CCn1c(C)nc([N+](=O)[O-])c1NCCCCn1cc[nH+]c1 ZINC000385714633 375240945 /nfs/dbraw/zinc/24/09/45/375240945.db2.gz STWRLSIRPGUWHP-UHFFFAOYSA-N 1 2 292.343 2.208 20 5 CEBDLO CC1(C)CC[C@@H](C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)O1 ZINC000408467464 375490328 /nfs/dbraw/zinc/49/03/28/375490328.db2.gz OAMLDTJYESCVHF-ZDUSSCGKSA-N 1 2 291.351 2.306 20 5 CEBDLO CC1(C)CC[C@@H](C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)O1 ZINC000408467464 375490331 /nfs/dbraw/zinc/49/03/31/375490331.db2.gz OAMLDTJYESCVHF-ZDUSSCGKSA-N 1 2 291.351 2.306 20 5 CEBDLO COc1cc(N[C@H](C)Cn2cc[nH+]c2)c([N+](=O)[O-])cc1F ZINC000290536669 376824553 /nfs/dbraw/zinc/82/45/53/376824553.db2.gz OTMBGUKOCNWBFP-SECBINFHSA-N 1 2 294.286 2.440 20 5 CEBDLO C[C@]1(CCCO)CCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330460447 377143890 /nfs/dbraw/zinc/14/38/90/377143890.db2.gz VPKVEFVSCSRKQL-OAHLLOKOSA-N 1 2 294.351 2.427 20 5 CEBDLO C[C@]1(CCCO)CCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330460447 377143898 /nfs/dbraw/zinc/14/38/98/377143898.db2.gz VPKVEFVSCSRKQL-OAHLLOKOSA-N 1 2 294.351 2.427 20 5 CEBDLO C[C@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000330609227 377197931 /nfs/dbraw/zinc/19/79/31/377197931.db2.gz NOQMVINCVKDKKF-JTQLQIEISA-N 1 2 280.324 2.300 20 5 CEBDLO C[C@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000330609227 377197940 /nfs/dbraw/zinc/19/79/40/377197940.db2.gz NOQMVINCVKDKKF-JTQLQIEISA-N 1 2 280.324 2.300 20 5 CEBDLO Cc1c(C[NH+]2C[C@@H](C)S(=O)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000331192349 377322218 /nfs/dbraw/zinc/32/22/18/377322218.db2.gz XLUCIHAKBREADP-GHMZBOCLSA-N 1 2 296.392 2.245 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(SC[C@H]2C[N@H+](C)CCO2)c1 ZINC000564902703 377497036 /nfs/dbraw/zinc/49/70/36/377497036.db2.gz BVIXISSCKRJBSL-LLVKDONJSA-N 1 2 282.365 2.326 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(SC[C@H]2C[N@@H+](C)CCO2)c1 ZINC000564902703 377497040 /nfs/dbraw/zinc/49/70/40/377497040.db2.gz BVIXISSCKRJBSL-LLVKDONJSA-N 1 2 282.365 2.326 20 5 CEBDLO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cn2)c2[nH+]ccn21 ZINC000450828826 378599266 /nfs/dbraw/zinc/59/92/66/378599266.db2.gz LEUXECGTQDTICU-WCBMZHEXSA-N 1 2 259.269 2.304 20 5 CEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000451021070 378678648 /nfs/dbraw/zinc/67/86/48/378678648.db2.gz BAOSVPDBCXWBTD-UHFFFAOYSA-N 1 2 299.334 2.013 20 5 CEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC=C(c2cccnc2)C1 ZINC000451021070 378678655 /nfs/dbraw/zinc/67/86/55/378678655.db2.gz BAOSVPDBCXWBTD-UHFFFAOYSA-N 1 2 299.334 2.013 20 5 CEBDLO COCc1nc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cs1 ZINC000266166627 190236565 /nfs/dbraw/zinc/23/65/65/190236565.db2.gz ASKHMDKXRGOFIX-UHFFFAOYSA-N 1 2 293.348 2.488 20 5 CEBDLO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000289470768 197363064 /nfs/dbraw/zinc/36/30/64/197363064.db2.gz HFBVBJZSUDOMMK-PHIMTYICSA-N 1 2 278.283 2.430 20 5 CEBDLO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000289470768 197363065 /nfs/dbraw/zinc/36/30/65/197363065.db2.gz HFBVBJZSUDOMMK-PHIMTYICSA-N 1 2 278.283 2.430 20 5 CEBDLO C[C@H]1C[NH+](CCSc2ncccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000516785738 379312741 /nfs/dbraw/zinc/31/27/41/379312741.db2.gz UOYKUMSLTUCJGG-QWRGUYRKSA-N 1 2 297.380 2.191 20 5 CEBDLO CC(C)CCOCC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347786702 218358193 /nfs/dbraw/zinc/35/81/93/218358193.db2.gz OXXHQKMHDZPZTM-UHFFFAOYSA-N 1 2 293.367 2.411 20 5 CEBDLO CC(C)CCOCC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347786702 218358194 /nfs/dbraw/zinc/35/81/94/218358194.db2.gz OXXHQKMHDZPZTM-UHFFFAOYSA-N 1 2 293.367 2.411 20 5 CEBDLO Cn1cc(C(C)(C)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])cn1 ZINC000549548288 380603631 /nfs/dbraw/zinc/60/36/31/380603631.db2.gz ZYCNAZBLNMMHMQ-UHFFFAOYSA-N 1 2 290.323 2.059 20 5 CEBDLO COC(=O)[C@@H](C)[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000280989025 195058630 /nfs/dbraw/zinc/05/86/30/195058630.db2.gz WSTBIDZBUWPXLA-LXSSAFMLSA-N 1 2 278.308 2.101 20 5 CEBDLO COC(=O)[C@@H](C)[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000280989025 195058633 /nfs/dbraw/zinc/05/86/33/195058633.db2.gz WSTBIDZBUWPXLA-LXSSAFMLSA-N 1 2 278.308 2.101 20 5 CEBDLO CC[C@H](C)[N@H+](CC(=O)OC)Cc1ccc([N+](=O)[O-])cc1 ZINC000281133602 195117141 /nfs/dbraw/zinc/11/71/41/195117141.db2.gz DESYBUWKXKTZKB-NSHDSACASA-N 1 2 280.324 2.368 20 5 CEBDLO CC[C@H](C)[N@@H+](CC(=O)OC)Cc1ccc([N+](=O)[O-])cc1 ZINC000281133602 195117143 /nfs/dbraw/zinc/11/71/43/195117143.db2.gz DESYBUWKXKTZKB-NSHDSACASA-N 1 2 280.324 2.368 20 5 CEBDLO COC[C@@H](CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21)OC ZINC000413250310 394512518 /nfs/dbraw/zinc/51/25/18/394512518.db2.gz UVOJGBDNYGFDOO-GFCCVEGCSA-N 1 2 291.307 2.216 20 5 CEBDLO C[C@@H](O)CCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413259959 394514370 /nfs/dbraw/zinc/51/43/70/394514370.db2.gz DSEWZIIOLLJBSX-SNVBAGLBSA-N 1 2 275.308 2.138 20 5 CEBDLO C[C@@H](CNc1ncc([N+](=O)[O-])cc1F)Cn1cc[nH+]c1 ZINC000413074585 394479208 /nfs/dbraw/zinc/47/92/08/394479208.db2.gz JXYLLDRBOKUYKG-VIFPVBQESA-N 1 2 279.275 2.074 20 5 CEBDLO COCCOCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413106051 394483361 /nfs/dbraw/zinc/48/33/61/394483361.db2.gz YKKQBQYWXXBFAV-UHFFFAOYSA-N 1 2 291.307 2.218 20 5 CEBDLO C[C@@H]1C[C@H](C[NH+]=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)[C@@H](C)O1 ZINC000413540840 394578210 /nfs/dbraw/zinc/57/82/10/394578210.db2.gz VGXRECVBKFDUAN-OPRDCNLKSA-N 1 2 290.323 2.118 20 5 CEBDLO CC(C)NC(=O)C[N@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000266685861 394667968 /nfs/dbraw/zinc/66/79/68/394667968.db2.gz UJQDUAGQSZENAW-LLVKDONJSA-N 1 2 279.340 2.112 20 5 CEBDLO CC(C)NC(=O)C[N@@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000266685861 394667973 /nfs/dbraw/zinc/66/79/73/394667973.db2.gz UJQDUAGQSZENAW-LLVKDONJSA-N 1 2 279.340 2.112 20 5 CEBDLO NCC(F)(F)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423343501 394893195 /nfs/dbraw/zinc/89/31/95/394893195.db2.gz LXMOAABIYCKODX-GFCCVEGCSA-N 1 2 299.321 2.100 20 5 CEBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000494683145 395135590 /nfs/dbraw/zinc/13/55/90/395135590.db2.gz USBKSVJRMIMRFA-GFCCVEGCSA-N 1 2 282.727 2.205 20 5 CEBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000494683145 395135595 /nfs/dbraw/zinc/13/55/95/395135595.db2.gz USBKSVJRMIMRFA-GFCCVEGCSA-N 1 2 282.727 2.205 20 5 CEBDLO CC[C@@H](F)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000440711740 395346966 /nfs/dbraw/zinc/34/69/66/395346966.db2.gz ONQCFOLDCYLSBI-GFCCVEGCSA-N 1 2 281.331 2.465 20 5 CEBDLO Nc1cc(CSc2ccc([N+](=O)[O-])cn2)cc[nH+]1 ZINC000195501829 395466923 /nfs/dbraw/zinc/46/69/23/395466923.db2.gz AFFBJHJLJLORBD-UHFFFAOYSA-N 1 2 262.294 2.259 20 5 CEBDLO CO[C@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1C ZINC000449497100 395551345 /nfs/dbraw/zinc/55/13/45/395551345.db2.gz KEARXLUWKPBNHQ-YGRLFVJLSA-N 1 2 280.324 2.157 20 5 CEBDLO CO[C@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1C ZINC000449497100 395551348 /nfs/dbraw/zinc/55/13/48/395551348.db2.gz KEARXLUWKPBNHQ-YGRLFVJLSA-N 1 2 280.324 2.157 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](F)C1 ZINC000451180108 395587989 /nfs/dbraw/zinc/58/79/89/395587989.db2.gz CFJJOHPPTRRVEE-JTQLQIEISA-N 1 2 254.261 2.147 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](F)C1 ZINC000451180108 395587991 /nfs/dbraw/zinc/58/79/91/395587991.db2.gz CFJJOHPPTRRVEE-JTQLQIEISA-N 1 2 254.261 2.147 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1-c1noc(Cc2c[nH+]cn2C)n1 ZINC000574324802 395628043 /nfs/dbraw/zinc/62/80/43/395628043.db2.gz WBQHIIAGDCMJDE-UHFFFAOYSA-N 1 2 299.290 2.278 20 5 CEBDLO O=[N+]([O-])c1ccccc1CNc1cccc(-n2cc[nH+]c2)n1 ZINC000360455219 155304190 /nfs/dbraw/zinc/30/41/90/155304190.db2.gz PZNFYTHVCZEZOT-UHFFFAOYSA-N 1 2 295.302 2.210 20 5 CEBDLO COC1CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000285059133 196186811 /nfs/dbraw/zinc/18/68/11/196186811.db2.gz DHSJDVMKKUZFQC-UHFFFAOYSA-N 1 2 286.278 2.484 20 5 CEBDLO CC(=O)c1cc([N+](=O)[O-])ccc1NCCCn1cc[nH+]c1 ZINC000285662500 196358682 /nfs/dbraw/zinc/35/86/82/196358682.db2.gz OYQSTJFURNKCDU-UHFFFAOYSA-N 1 2 288.307 2.496 20 5 CEBDLO CC[C@@H](F)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000440702127 263631724 /nfs/dbraw/zinc/63/17/24/263631724.db2.gz NKKWGKZPKLDVEL-GFCCVEGCSA-N 1 2 281.331 2.465 20 5 CEBDLO Cc1cc(C)c(CNc2cc(C)c([N+](=O)[O-])cn2)c[nH+]1 ZINC000397093179 270351683 /nfs/dbraw/zinc/35/16/83/270351683.db2.gz LYEWDIXUYAGTRD-UHFFFAOYSA-N 1 2 272.308 2.344 20 5 CEBDLO C[C@]1(O)CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413163371 278569426 /nfs/dbraw/zinc/56/94/26/278569426.db2.gz BIALABWGEJFNQH-AWEZNQCLSA-N 1 2 273.292 2.104 20 5 CEBDLO Cc1cn2c([nH+]1)CN(c1ccc([N+](=O)[O-])cc1C)CC2 ZINC000359903281 279003979 /nfs/dbraw/zinc/00/39/79/279003979.db2.gz STFWBTTWYZVLDO-UHFFFAOYSA-N 1 2 272.308 2.428 20 5 CEBDLO Cc1ccc(CN2CCn3c[nH+]cc3C2)cc1[N+](=O)[O-] ZINC000291532553 280561938 /nfs/dbraw/zinc/56/19/38/280561938.db2.gz KKSGKAKZWKYMPW-UHFFFAOYSA-N 1 2 272.308 2.116 20 5 CEBDLO CC(C)(C)c1nnc(C[NH2+]Cc2csc([N+](=O)[O-])c2)[nH]1 ZINC000459707015 290213613 /nfs/dbraw/zinc/21/36/13/290213613.db2.gz NZBCGRUGWPFVET-UHFFFAOYSA-N 1 2 295.368 2.362 20 5 CEBDLO CO[C@@H]1C[C@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C12CCC2 ZINC000459729015 290219326 /nfs/dbraw/zinc/21/93/26/290219326.db2.gz DBEAQWDCNQFYDB-UONOGXRCSA-N 1 2 292.335 2.348 20 5 CEBDLO C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000580645143 322332137 /nfs/dbraw/zinc/33/21/37/322332137.db2.gz XLDYPBYKVJJIDX-JTQLQIEISA-N 1 2 295.339 2.263 20 5 CEBDLO O=[N+]([O-])c1ccc(CNc2ccc(CO)c[nH+]2)c(F)c1 ZINC000356330819 501082795 /nfs/dbraw/zinc/08/27/95/501082795.db2.gz CXVMQOODTUFENM-UHFFFAOYSA-N 1 2 277.255 2.233 20 5 CEBDLO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000183690315 521308197 /nfs/dbraw/zinc/30/81/97/521308197.db2.gz AUSCOBFBZYLSOD-CQSZACIVSA-N 1 2 292.335 2.431 20 5 CEBDLO CCOC(=O)[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000183690315 521308205 /nfs/dbraw/zinc/30/82/05/521308205.db2.gz AUSCOBFBZYLSOD-CQSZACIVSA-N 1 2 292.335 2.431 20 5 CEBDLO CC(=CC(=O)NCc1c[nH+]c[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000752422643 575309879 /nfs/dbraw/zinc/30/98/79/575309879.db2.gz BYVUJHGOKLNEKJ-UXBLZVDNSA-N 1 2 286.291 2.038 20 5 CEBDLO CC(=CC(=O)NCc1c[nH]c[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC000752422643 575309880 /nfs/dbraw/zinc/30/98/80/575309880.db2.gz BYVUJHGOKLNEKJ-UXBLZVDNSA-N 1 2 286.291 2.038 20 5 CEBDLO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)ccc1[N+](=O)[O-] ZINC000289310607 623179218 /nfs/dbraw/zinc/17/92/18/623179218.db2.gz CQJGWLVSOCMBFX-TXEJJXNPSA-N 1 2 278.283 2.430 20 5 CEBDLO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)ccc1[N+](=O)[O-] ZINC000289310607 623179223 /nfs/dbraw/zinc/17/92/23/623179223.db2.gz CQJGWLVSOCMBFX-TXEJJXNPSA-N 1 2 278.283 2.430 20 5 CEBDLO CC[C@H](C[NH+]1CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000895804721 630355212 /nfs/dbraw/zinc/35/52/12/630355212.db2.gz WBRDDOQCLOLJNW-GFCCVEGCSA-N 1 2 279.340 2.118 20 5 CEBDLO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCCCn1cc[nH+]c1 ZINC000804318096 631662148 /nfs/dbraw/zinc/66/21/48/631662148.db2.gz ZDHBWVYOLBYDTN-UHFFFAOYSA-N 1 2 291.267 2.202 20 5 CEBDLO COc1cc([C@H](C)[NH2+]Cc2cn(C)cn2)cc([N+](=O)[O-])c1 ZINC000903352072 635080310 /nfs/dbraw/zinc/08/03/10/635080310.db2.gz QNGGNICEAQXHAD-JTQLQIEISA-N 1 2 290.323 2.188 20 5 CEBDLO O=[N+]([O-])c1cnn(C[N@@H+]2C[C@H]3C[C@@]3(c3ccccc3)C2)c1 ZINC000905682056 636393318 /nfs/dbraw/zinc/39/33/18/636393318.db2.gz OEHHHOQLTUDUIA-HIFRSBDPSA-N 1 2 284.319 2.022 20 5 CEBDLO O=[N+]([O-])c1cnn(C[N@H+]2C[C@H]3C[C@@]3(c3ccccc3)C2)c1 ZINC000905682056 636393321 /nfs/dbraw/zinc/39/33/21/636393321.db2.gz OEHHHOQLTUDUIA-HIFRSBDPSA-N 1 2 284.319 2.022 20 5 CEBDLO Cc1ccc(COC(=O)[C@@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000835479041 638273622 /nfs/dbraw/zinc/27/36/22/638273622.db2.gz FRCYAFCDDYAVPU-ZDUSSCGKSA-N 1 2 292.335 2.431 20 5 CEBDLO Cc1ccc(COC(=O)[C@@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000835479041 638273624 /nfs/dbraw/zinc/27/36/24/638273624.db2.gz FRCYAFCDDYAVPU-ZDUSSCGKSA-N 1 2 292.335 2.431 20 5 CEBDLO COc1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)on1 ZINC000852097248 643299070 /nfs/dbraw/zinc/29/90/70/643299070.db2.gz SUHSFAAJUVSBRO-VIFPVBQESA-N 1 2 277.280 2.442 20 5 CEBDLO COCC[N@H+](CCF)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000852484224 643440428 /nfs/dbraw/zinc/44/04/28/643440428.db2.gz YCCLHDAIRTXWTE-UHFFFAOYSA-N 1 2 286.303 2.021 20 5 CEBDLO COCC[N@@H+](CCF)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000852484224 643440433 /nfs/dbraw/zinc/44/04/33/643440433.db2.gz YCCLHDAIRTXWTE-UHFFFAOYSA-N 1 2 286.303 2.021 20 5 CEBDLO CC(C)C1(O)C[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000773893210 646785611 /nfs/dbraw/zinc/78/56/11/646785611.db2.gz MAIOSEDBRKJYDV-NSHDSACASA-N 1 2 264.325 2.359 20 5 CEBDLO CC[N@H+](CC(=O)N(C)C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783525881 647725468 /nfs/dbraw/zinc/72/54/68/647725468.db2.gz BGNYPPZEEWLZNF-UHFFFAOYSA-N 1 2 299.758 2.158 20 5 CEBDLO CC[N@@H+](CC(=O)N(C)C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783525881 647725473 /nfs/dbraw/zinc/72/54/73/647725473.db2.gz BGNYPPZEEWLZNF-UHFFFAOYSA-N 1 2 299.758 2.158 20 5 CEBDLO Nc1cc(COC(=O)c2ccc(F)cc2[N+](=O)[O-])cc[nH+]1 ZINC000792015736 648597891 /nfs/dbraw/zinc/59/78/91/648597891.db2.gz HJBDIMVYUWZGAV-UHFFFAOYSA-N 1 2 291.238 2.068 20 5 CEBDLO O=[N+]([O-])c1ncccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000885935327 653071970 /nfs/dbraw/zinc/07/19/70/653071970.db2.gz IGKUUJCNEJIMHG-UHFFFAOYSA-N 1 2 298.346 2.312 20 5 CEBDLO COC(=O)[C@@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001173215342 815623461 /nfs/dbraw/zinc/62/34/61/815623461.db2.gz VCASTESUKOUWJW-YGRLFVJLSA-N 1 2 292.335 2.067 20 5 CEBDLO CC[C@@H]1C[N@H+](CCNc2c(C)cccc2[N+](=O)[O-])CCO1 ZINC000357695392 529393800 /nfs/dbraw/zinc/39/38/00/529393800.db2.gz YHYTXLPTWPVCLD-CYBMUJFWSA-N 1 2 293.367 2.426 20 5 CEBDLO CC[C@@H]1C[N@@H+](CCNc2c(C)cccc2[N+](=O)[O-])CCO1 ZINC000357695392 529393801 /nfs/dbraw/zinc/39/38/01/529393801.db2.gz YHYTXLPTWPVCLD-CYBMUJFWSA-N 1 2 293.367 2.426 20 5 CEBDLO O=[N+]([O-])c1ccc(N[C@H]2CCN(c3cccc[nH+]3)C2)cn1 ZINC000338047328 214378359 /nfs/dbraw/zinc/37/83/59/214378359.db2.gz ZTCQZLWBYXMVDD-LBPRGKRZSA-N 1 2 285.307 2.076 20 5 CEBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](O)C2)ccc1Cl ZINC000042468125 362097984 /nfs/dbraw/zinc/09/79/84/362097984.db2.gz IHCGNXDZNPYWAZ-SNVBAGLBSA-N 1 2 270.716 2.205 20 5 CEBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](O)C2)ccc1Cl ZINC000042468125 362097992 /nfs/dbraw/zinc/09/79/92/362097992.db2.gz IHCGNXDZNPYWAZ-SNVBAGLBSA-N 1 2 270.716 2.205 20 5 CEBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000054346524 343588642 /nfs/dbraw/zinc/58/86/42/343588642.db2.gz ISLXSIODSQQLTL-KBPBESRZSA-N 1 2 262.309 2.348 20 5 CEBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000054346524 343588644 /nfs/dbraw/zinc/58/86/44/343588644.db2.gz ISLXSIODSQQLTL-KBPBESRZSA-N 1 2 262.309 2.348 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCSCC1 ZINC000061283390 343666337 /nfs/dbraw/zinc/66/63/37/343666337.db2.gz QAKAUEGAOUAJJK-UHFFFAOYSA-N 1 2 268.338 2.152 20 5 CEBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@H](C)C1 ZINC000075587940 343858239 /nfs/dbraw/zinc/85/82/39/343858239.db2.gz PAJAPKPZOVGBCK-MNOVXSKESA-N 1 2 250.298 2.377 20 5 CEBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@H](C)C1 ZINC000075587940 343858241 /nfs/dbraw/zinc/85/82/41/343858241.db2.gz PAJAPKPZOVGBCK-MNOVXSKESA-N 1 2 250.298 2.377 20 5 CEBDLO O=[N+]([O-])c1ccc(Oc2cc(-n3cc[nH+]c3)ncn2)cc1 ZINC000077165022 343909094 /nfs/dbraw/zinc/90/90/94/343909094.db2.gz RZCURIVJIRMYOI-UHFFFAOYSA-N 1 2 283.247 2.363 20 5 CEBDLO CCOC[C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000093838620 344230665 /nfs/dbraw/zinc/23/06/65/344230665.db2.gz SQBZHZOKAKRGEI-LLVKDONJSA-N 1 2 280.324 2.159 20 5 CEBDLO CCOC[C@@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000093838620 344230666 /nfs/dbraw/zinc/23/06/66/344230666.db2.gz SQBZHZOKAKRGEI-LLVKDONJSA-N 1 2 280.324 2.159 20 5 CEBDLO Cc1cc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000141054887 344400350 /nfs/dbraw/zinc/40/03/50/344400350.db2.gz RYLPJPMCNSSDES-SECBINFHSA-N 1 2 274.280 2.117 20 5 CEBDLO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@H](F)C1)OCCO2 ZINC000593697261 345523749 /nfs/dbraw/zinc/52/37/49/345523749.db2.gz SAFWVRCSINGNJT-NSHDSACASA-N 1 2 296.298 2.300 20 5 CEBDLO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC[C@H](F)C1)OCCO2 ZINC000593697261 345523751 /nfs/dbraw/zinc/52/37/51/345523751.db2.gz SAFWVRCSINGNJT-NSHDSACASA-N 1 2 296.298 2.300 20 5 CEBDLO Cc1c[nH+]c(CCNc2ccncc2[N+](=O)[O-])c(C)c1 ZINC000594596134 345654918 /nfs/dbraw/zinc/65/49/18/345654918.db2.gz MQLAMVKWURVMDT-UHFFFAOYSA-N 1 2 272.308 2.078 20 5 CEBDLO CC[C@@H]1C[N@H+](Cc2onc(C)c2[N+](=O)[O-])[C@@H](CC)CO1 ZINC000595558706 345812883 /nfs/dbraw/zinc/81/28/83/345812883.db2.gz PJLKZKOURANUCD-WDEREUQCSA-N 1 2 283.328 2.281 20 5 CEBDLO CC[C@@H]1C[N@@H+](Cc2onc(C)c2[N+](=O)[O-])[C@@H](CC)CO1 ZINC000595558706 345812884 /nfs/dbraw/zinc/81/28/84/345812884.db2.gz PJLKZKOURANUCD-WDEREUQCSA-N 1 2 283.328 2.281 20 5 CEBDLO Cc1noc(C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000595491883 345795456 /nfs/dbraw/zinc/79/54/56/345795456.db2.gz YJPQKTQSRFAUCB-ZWNOBZJWSA-N 1 2 295.339 2.281 20 5 CEBDLO Cc1noc(C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000595491883 345795459 /nfs/dbraw/zinc/79/54/59/345795459.db2.gz YJPQKTQSRFAUCB-ZWNOBZJWSA-N 1 2 295.339 2.281 20 5 CEBDLO C[C@H](CO)[C@@H]1CCCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000595674589 345845625 /nfs/dbraw/zinc/84/56/25/345845625.db2.gz LUKAVKWFWKPAAY-RISCZKNCSA-N 1 2 294.351 2.283 20 5 CEBDLO C[C@H](CO)[C@@H]1CCCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000595674589 345845628 /nfs/dbraw/zinc/84/56/28/345845628.db2.gz LUKAVKWFWKPAAY-RISCZKNCSA-N 1 2 294.351 2.283 20 5 CEBDLO Cc1cc(NCC[N@@H+]2CCOCC2(C)C)c([N+](=O)[O-])s1 ZINC000596109546 345942008 /nfs/dbraw/zinc/94/20/08/345942008.db2.gz CZSKHAOWCXRLBJ-UHFFFAOYSA-N 1 2 299.396 2.487 20 5 CEBDLO Cc1cc(NCC[N@H+]2CCOCC2(C)C)c([N+](=O)[O-])s1 ZINC000596109546 345942011 /nfs/dbraw/zinc/94/20/11/345942011.db2.gz CZSKHAOWCXRLBJ-UHFFFAOYSA-N 1 2 299.396 2.487 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(N2CCc3[nH+]c[nH]c3C2)c1 ZINC000596236368 345976271 /nfs/dbraw/zinc/97/62/71/345976271.db2.gz HUCDAFZUQYOQJO-UHFFFAOYSA-N 1 2 258.281 2.189 20 5 CEBDLO C[C@H]1C[N@H+](CCNc2ccc(F)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000596429467 346021264 /nfs/dbraw/zinc/02/12/64/346021264.db2.gz JLEBFKJTEPYPML-QWRGUYRKSA-N 1 2 297.330 2.255 20 5 CEBDLO C[C@H]1C[N@@H+](CCNc2ccc(F)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000596429467 346021269 /nfs/dbraw/zinc/02/12/69/346021269.db2.gz JLEBFKJTEPYPML-QWRGUYRKSA-N 1 2 297.330 2.255 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000596432712 346022420 /nfs/dbraw/zinc/02/24/20/346022420.db2.gz SCINMWZLDOMRQF-QWHCGFSZSA-N 1 2 293.367 2.424 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000596432712 346022423 /nfs/dbraw/zinc/02/24/23/346022423.db2.gz SCINMWZLDOMRQF-QWHCGFSZSA-N 1 2 293.367 2.424 20 5 CEBDLO O=C(CC[C@H]1CCC[NH2+]C1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000598665252 346396266 /nfs/dbraw/zinc/39/62/66/346396266.db2.gz NVFWBLMAAUOQOE-SNVBAGLBSA-N 1 2 293.323 2.019 20 5 CEBDLO CC(C)(O)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599040617 346450409 /nfs/dbraw/zinc/45/04/09/346450409.db2.gz LXUDTZJYMVVWSP-UHFFFAOYSA-N 1 2 261.281 2.326 20 5 CEBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC[C@H](O)CC1 ZINC000599087336 346458611 /nfs/dbraw/zinc/45/86/11/346458611.db2.gz ZOQAOPCNIMAFKI-LBPRGKRZSA-N 1 2 287.319 2.494 20 5 CEBDLO Cc1cc[nH+]c([C@@H]2CCN(c3c([N+](=O)[O-])ncn3C)C2)c1 ZINC000599101522 346460285 /nfs/dbraw/zinc/46/02/85/346460285.db2.gz QNMOIQLNPFOZSF-LLVKDONJSA-N 1 2 287.323 2.026 20 5 CEBDLO CCOC[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000599616644 346546419 /nfs/dbraw/zinc/54/64/19/346546419.db2.gz FLDUYUFGTUDVFR-STQMWFEESA-N 1 2 294.351 2.393 20 5 CEBDLO CCOC[C@@H]1C[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000599616644 346546422 /nfs/dbraw/zinc/54/64/22/346546422.db2.gz FLDUYUFGTUDVFR-STQMWFEESA-N 1 2 294.351 2.393 20 5 CEBDLO CO[C@H]1C[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000602896404 347240527 /nfs/dbraw/zinc/24/05/27/347240527.db2.gz GPWJEHYXWXQVKZ-SMDDNHRTSA-N 1 2 280.324 2.269 20 5 CEBDLO CO[C@H]1C[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000602896404 347240531 /nfs/dbraw/zinc/24/05/31/347240531.db2.gz GPWJEHYXWXQVKZ-SMDDNHRTSA-N 1 2 280.324 2.269 20 5 CEBDLO COC[C@H]1CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000339279741 215061664 /nfs/dbraw/zinc/06/16/64/215061664.db2.gz FEDGICIEMGJCQJ-LLVKDONJSA-N 1 2 270.716 2.469 20 5 CEBDLO COC[C@H]1CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000339279741 215061665 /nfs/dbraw/zinc/06/16/65/215061665.db2.gz FEDGICIEMGJCQJ-LLVKDONJSA-N 1 2 270.716 2.469 20 5 CEBDLO C[C@@H]1COCCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000610990829 347728293 /nfs/dbraw/zinc/72/82/93/347728293.db2.gz PMJUVGUYIUYDBC-SECBINFHSA-N 1 2 256.327 2.267 20 5 CEBDLO C[C@@H]1COCCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000610990829 347728296 /nfs/dbraw/zinc/72/82/96/347728296.db2.gz PMJUVGUYIUYDBC-SECBINFHSA-N 1 2 256.327 2.267 20 5 CEBDLO O=C(Nc1ccc2[nH+]ccn2c1)c1ccc([N+](=O)[O-])cc1O ZINC000613950851 348126773 /nfs/dbraw/zinc/12/67/73/348126773.db2.gz GKETYAPKAZSQPY-UHFFFAOYSA-N 1 2 298.258 2.200 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@H](C)[C@@H]1C ZINC000339567899 215247926 /nfs/dbraw/zinc/24/79/26/215247926.db2.gz HRCBAUDLKJAYND-QWRGUYRKSA-N 1 2 277.324 2.182 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@H](C)[C@@H]1C ZINC000339567899 215247928 /nfs/dbraw/zinc/24/79/28/215247928.db2.gz HRCBAUDLKJAYND-QWRGUYRKSA-N 1 2 277.324 2.182 20 5 CEBDLO CCOC(=O)C[N@H+](CC)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000092399466 180376541 /nfs/dbraw/zinc/37/65/41/180376541.db2.gz HJWYEHGRNFOWON-VQHVLOKHSA-N 1 2 292.335 2.493 20 5 CEBDLO CCOC(=O)C[N@@H+](CC)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000092399466 180376542 /nfs/dbraw/zinc/37/65/42/180376542.db2.gz HJWYEHGRNFOWON-VQHVLOKHSA-N 1 2 292.335 2.493 20 5 CEBDLO COc1ccnc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000450677600 282716195 /nfs/dbraw/zinc/71/61/95/282716195.db2.gz RPAIGDNZRFSICN-SNVBAGLBSA-N 1 2 288.307 2.244 20 5 CEBDLO C[C@H](CO)[N@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000123159468 187074748 /nfs/dbraw/zinc/07/47/48/187074748.db2.gz BXOXMGFEAJYSQK-MRVPVSSYSA-N 1 2 258.705 2.061 20 5 CEBDLO C[C@H](CO)[N@@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000123159468 187074749 /nfs/dbraw/zinc/07/47/49/187074749.db2.gz BXOXMGFEAJYSQK-MRVPVSSYSA-N 1 2 258.705 2.061 20 5 CEBDLO CCn1cc[nH+]c1[C@H](C)Nc1ncccc1[N+](=O)[O-] ZINC000450836411 282794089 /nfs/dbraw/zinc/79/40/89/282794089.db2.gz YVIJUJBPZYPCCI-VIFPVBQESA-N 1 2 261.285 2.379 20 5 CEBDLO COc1ccc(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000156156112 188246166 /nfs/dbraw/zinc/24/61/66/188246166.db2.gz YJOFBSVQPPSQIR-QWRGUYRKSA-N 1 2 280.324 2.213 20 5 CEBDLO COc1ccc(C[N@H+]2CCO[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000156156112 188246167 /nfs/dbraw/zinc/24/61/67/188246167.db2.gz YJOFBSVQPPSQIR-QWRGUYRKSA-N 1 2 280.324 2.213 20 5 CEBDLO C[C@@H](NC(=O)CCn1cc[nH+]c1)c1ccccc1[N+](=O)[O-] ZINC000271792499 191330869 /nfs/dbraw/zinc/33/08/69/191330869.db2.gz KKEXGQLILZWSND-LLVKDONJSA-N 1 2 288.307 2.059 20 5 CEBDLO Cc1cc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])n(C)n1 ZINC000417731627 237259550 /nfs/dbraw/zinc/25/95/50/237259550.db2.gz RTEZIAZQXMSMCO-UHFFFAOYSA-N 1 2 274.324 2.269 20 5 CEBDLO Cc1cc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])n(C)n1 ZINC000417731627 237259557 /nfs/dbraw/zinc/25/95/57/237259557.db2.gz RTEZIAZQXMSMCO-UHFFFAOYSA-N 1 2 274.324 2.269 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCOCC12CC2 ZINC000338996514 366604846 /nfs/dbraw/zinc/60/48/46/366604846.db2.gz LBKYEZOMNMJEHG-UHFFFAOYSA-N 1 2 262.309 2.268 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCOCC12CC2 ZINC000338996514 366604852 /nfs/dbraw/zinc/60/48/52/366604852.db2.gz LBKYEZOMNMJEHG-UHFFFAOYSA-N 1 2 262.309 2.268 20 5 CEBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCCC[C@H]1O ZINC000339100012 366653778 /nfs/dbraw/zinc/65/37/78/366653778.db2.gz SZDKDROVSDYLPU-UONOGXRCSA-N 1 2 280.324 2.036 20 5 CEBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCCC[C@H]1O ZINC000339100012 366653784 /nfs/dbraw/zinc/65/37/84/366653784.db2.gz SZDKDROVSDYLPU-UONOGXRCSA-N 1 2 280.324 2.036 20 5 CEBDLO CC(C)[C@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000339137605 366672413 /nfs/dbraw/zinc/67/24/13/366672413.db2.gz RNEBRHRQFJYNNO-OAHLLOKOSA-N 1 2 293.367 2.072 20 5 CEBDLO CC(C)[C@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000339137605 366672417 /nfs/dbraw/zinc/67/24/17/366672417.db2.gz RNEBRHRQFJYNNO-OAHLLOKOSA-N 1 2 293.367 2.072 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000339170975 366688901 /nfs/dbraw/zinc/68/89/01/366688901.db2.gz JTOZUIYKGKZFGX-HNNXBMFYSA-N 1 2 292.335 2.303 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000339170975 366688908 /nfs/dbraw/zinc/68/89/08/366688908.db2.gz JTOZUIYKGKZFGX-HNNXBMFYSA-N 1 2 292.335 2.303 20 5 CEBDLO Cc1c[nH+]ccc1CCNc1ccc([N+](=O)[O-])cn1 ZINC000301820372 201217002 /nfs/dbraw/zinc/21/70/02/201217002.db2.gz GGEKSZUNWAPFGU-UHFFFAOYSA-N 1 2 258.281 2.348 20 5 CEBDLO Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)cc[nH+]1 ZINC000112496073 364811259 /nfs/dbraw/zinc/81/12/59/364811259.db2.gz JTBXQMCPTIGCNZ-UHFFFAOYSA-N 1 2 299.333 2.161 20 5 CEBDLO Cc1cc(-c2nc(Cc3c[nH+]cn3C)no2)cc([N+](=O)[O-])c1 ZINC000357928724 370838627 /nfs/dbraw/zinc/83/86/27/370838627.db2.gz COXMTWZIRONIMG-UHFFFAOYSA-N 1 2 299.290 2.278 20 5 CEBDLO Cc1c(C[N@@H+]2CCC(=O)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000168894075 367363487 /nfs/dbraw/zinc/36/34/87/367363487.db2.gz KUAZRBOAYAVYPA-JTQLQIEISA-N 1 2 262.309 2.314 20 5 CEBDLO Cc1c(C[N@H+]2CCC(=O)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000168894075 367363491 /nfs/dbraw/zinc/36/34/91/367363491.db2.gz KUAZRBOAYAVYPA-JTQLQIEISA-N 1 2 262.309 2.314 20 5 CEBDLO CC(C)C[N@H+](CC(N)=O)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000172018714 367660470 /nfs/dbraw/zinc/66/04/70/367660470.db2.gz KISPWTCDKHEPMK-UHFFFAOYSA-N 1 2 299.758 2.192 20 5 CEBDLO CC(C)C[N@@H+](CC(N)=O)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000172018714 367660475 /nfs/dbraw/zinc/66/04/75/367660475.db2.gz KISPWTCDKHEPMK-UHFFFAOYSA-N 1 2 299.758 2.192 20 5 CEBDLO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])s2)C[C@@H]1C ZINC000345901039 368475943 /nfs/dbraw/zinc/47/59/43/368475943.db2.gz HMRCOMHZLAJIQG-VHSXEESVSA-N 1 2 297.380 2.211 20 5 CEBDLO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])s2)C[C@@H]1C ZINC000345901039 368475949 /nfs/dbraw/zinc/47/59/49/368475949.db2.gz HMRCOMHZLAJIQG-VHSXEESVSA-N 1 2 297.380 2.211 20 5 CEBDLO C[C@H]1[C@@H](CO)CC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352407626 369715189 /nfs/dbraw/zinc/71/51/89/369715189.db2.gz QZDPUHGJTSHQEY-DTWKUNHWSA-N 1 2 286.278 2.076 20 5 CEBDLO C[C@H]1[C@@H](CO)CC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352407626 369715193 /nfs/dbraw/zinc/71/51/93/369715193.db2.gz QZDPUHGJTSHQEY-DTWKUNHWSA-N 1 2 286.278 2.076 20 5 CEBDLO C[N@H+](Cc1cn2cccnc2n1)Cc1ccccc1[N+](=O)[O-] ZINC000192641774 369838389 /nfs/dbraw/zinc/83/83/89/369838389.db2.gz COLDDFCABDLTFD-UHFFFAOYSA-N 1 2 297.318 2.270 20 5 CEBDLO C[N@@H+](Cc1cn2cccnc2n1)Cc1ccccc1[N+](=O)[O-] ZINC000192641774 369838391 /nfs/dbraw/zinc/83/83/91/369838391.db2.gz COLDDFCABDLTFD-UHFFFAOYSA-N 1 2 297.318 2.270 20 5 CEBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000193674629 369970755 /nfs/dbraw/zinc/97/07/55/369970755.db2.gz QENUOMSZXBXLQT-LBPRGKRZSA-N 1 2 295.295 2.114 20 5 CEBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000193674629 369970758 /nfs/dbraw/zinc/97/07/58/369970758.db2.gz QENUOMSZXBXLQT-LBPRGKRZSA-N 1 2 295.295 2.114 20 5 CEBDLO C[C@H]([NH2+]Cc1nnc2ccccn21)c1cccc([N+](=O)[O-])c1 ZINC000193277432 369916038 /nfs/dbraw/zinc/91/60/38/369916038.db2.gz URUDWIGIHLDRCS-NSHDSACASA-N 1 2 297.318 2.488 20 5 CEBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@H](C)C1 ZINC000249101416 371294226 /nfs/dbraw/zinc/29/42/26/371294226.db2.gz DYZGMRZZVKPJMF-GHMZBOCLSA-N 1 2 250.298 2.377 20 5 CEBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@H](C)C1 ZINC000249101416 371294234 /nfs/dbraw/zinc/29/42/34/371294234.db2.gz DYZGMRZZVKPJMF-GHMZBOCLSA-N 1 2 250.298 2.377 20 5 CEBDLO Cc1cc(C)c([N+](=O)[O-])c(SCC[NH+]2CCOCC2)n1 ZINC000359110251 371341136 /nfs/dbraw/zinc/34/11/36/371341136.db2.gz QTHXINGOTOCMKN-UHFFFAOYSA-N 1 2 297.380 2.031 20 5 CEBDLO COC1(C)C[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000332004733 204382194 /nfs/dbraw/zinc/38/21/94/204382194.db2.gz RHMNTYIHKJFVPY-UHFFFAOYSA-N 1 2 250.298 2.124 20 5 CEBDLO [NH3+][C@H]1CCCC[C@H]1CC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000261609033 371676796 /nfs/dbraw/zinc/67/67/96/371676796.db2.gz DNNRQIHPFCOXGQ-ONGXEEELSA-N 1 2 293.323 2.147 20 5 CEBDLO COc1cc(C[N@@H+]2CCOC[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000364052681 372657036 /nfs/dbraw/zinc/65/70/36/372657036.db2.gz AQSCIOPQHIDPEB-JTQLQIEISA-N 1 2 298.314 2.211 20 5 CEBDLO COc1cc(C[N@H+]2CCOC[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000364052681 372657040 /nfs/dbraw/zinc/65/70/40/372657040.db2.gz AQSCIOPQHIDPEB-JTQLQIEISA-N 1 2 298.314 2.211 20 5 CEBDLO Cc1ccc(C[N@H+]2CC[S@@](=O)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000365447603 372864241 /nfs/dbraw/zinc/86/42/41/372864241.db2.gz OGHVXOMHGRDIEX-YUNKPMOVSA-N 1 2 296.392 2.246 20 5 CEBDLO Cc1ccc(C[N@@H+]2CC[S@@](=O)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000365447603 372864248 /nfs/dbraw/zinc/86/42/48/372864248.db2.gz OGHVXOMHGRDIEX-YUNKPMOVSA-N 1 2 296.392 2.246 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000372314989 374096060 /nfs/dbraw/zinc/09/60/60/374096060.db2.gz JGRWKBXKNQYYPJ-OAHLLOKOSA-N 1 2 292.335 2.214 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000372314989 374096071 /nfs/dbraw/zinc/09/60/71/374096071.db2.gz JGRWKBXKNQYYPJ-OAHLLOKOSA-N 1 2 292.335 2.214 20 5 CEBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H]2c2ccccc2F)c1 ZINC000372725792 374185097 /nfs/dbraw/zinc/18/50/97/374185097.db2.gz IOKQYNWVRWOQPT-AWEZNQCLSA-N 1 2 290.298 2.377 20 5 CEBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H]2c2ccccc2F)c1 ZINC000372725792 374185103 /nfs/dbraw/zinc/18/51/03/374185103.db2.gz IOKQYNWVRWOQPT-AWEZNQCLSA-N 1 2 290.298 2.377 20 5 CEBDLO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ncnn1C ZINC000276682523 374264882 /nfs/dbraw/zinc/26/48/82/374264882.db2.gz LULZKGOWCRCDDS-MRVPVSSYSA-N 1 2 295.730 2.228 20 5 CEBDLO O=[N+]([O-])c1cnc(N2CCC(c3c[nH]c[nH+]3)CC2)s1 ZINC000374414973 374566960 /nfs/dbraw/zinc/56/69/60/374566960.db2.gz KFDODFNZBZOHLC-UHFFFAOYSA-N 1 2 279.325 2.158 20 5 CEBDLO O=[N+]([O-])c1cnc(N2CCC(c3c[nH+]c[nH]3)CC2)s1 ZINC000374414973 374566970 /nfs/dbraw/zinc/56/69/70/374566970.db2.gz KFDODFNZBZOHLC-UHFFFAOYSA-N 1 2 279.325 2.158 20 5 CEBDLO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCc3cn[nH]c3C2)cs1 ZINC000374541470 374595530 /nfs/dbraw/zinc/59/55/30/374595530.db2.gz NWIUKJDHDAWWKJ-SNVBAGLBSA-N 1 2 278.337 2.027 20 5 CEBDLO C[C@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000280101210 375091401 /nfs/dbraw/zinc/09/14/01/375091401.db2.gz AMDMWVUBXHBTRC-GWCFXTLKSA-N 1 2 298.364 2.036 20 5 CEBDLO C[C@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000280101210 375091408 /nfs/dbraw/zinc/09/14/08/375091408.db2.gz AMDMWVUBXHBTRC-GWCFXTLKSA-N 1 2 298.364 2.036 20 5 CEBDLO CCc1nnc(C[NH2+]Cc2csc([N+](=O)[O-])c2)s1 ZINC000289830527 376521448 /nfs/dbraw/zinc/52/14/48/376521448.db2.gz OGKGVZUTNKMTFJ-UHFFFAOYSA-N 1 2 284.366 2.360 20 5 CEBDLO O=[N+]([O-])c1cccc(F)c1NCCn1cc[nH+]c1 ZINC000310779795 376634440 /nfs/dbraw/zinc/63/44/40/376634440.db2.gz XDMHLGNWPVYNLK-UHFFFAOYSA-N 1 2 250.233 2.043 20 5 CEBDLO Cc1cc([N+](=O)[O-])cnc1NCc1ccc(N(C)C)[nH+]c1 ZINC000264508310 190114960 /nfs/dbraw/zinc/11/49/60/190114960.db2.gz XCIQAAJUCLFSBI-UHFFFAOYSA-N 1 2 287.323 2.371 20 5 CEBDLO Cc1cc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)ncn1 ZINC000562376562 376880435 /nfs/dbraw/zinc/88/04/35/376880435.db2.gz BITLAZWYDXOSOB-UHFFFAOYSA-N 1 2 284.319 2.252 20 5 CEBDLO Cc1cc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)ncn1 ZINC000562376562 376880436 /nfs/dbraw/zinc/88/04/36/376880436.db2.gz BITLAZWYDXOSOB-UHFFFAOYSA-N 1 2 284.319 2.252 20 5 CEBDLO Cc1cc(N(C)Cc2[nH+]ccn2C)c(F)cc1[N+](=O)[O-] ZINC000290946379 376996654 /nfs/dbraw/zinc/99/66/54/376996654.db2.gz LNBUJBKHJUBDJF-UHFFFAOYSA-N 1 2 278.287 2.412 20 5 CEBDLO C[C@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCS1 ZINC000330614302 377197225 /nfs/dbraw/zinc/19/72/25/377197225.db2.gz RWTQAILOWRIPTE-VIFPVBQESA-N 1 2 268.338 2.238 20 5 CEBDLO C[C@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCS1 ZINC000330614302 377197232 /nfs/dbraw/zinc/19/72/32/377197232.db2.gz RWTQAILOWRIPTE-VIFPVBQESA-N 1 2 268.338 2.238 20 5 CEBDLO C[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ncnn1C ZINC000565216458 377610488 /nfs/dbraw/zinc/61/04/88/377610488.db2.gz JWHXCFDGVKITDC-SKDRFNHKSA-N 1 2 287.323 2.061 20 5 CEBDLO O=C(NCCCCn1cc[nH+]c1)c1csc([N+](=O)[O-])c1 ZINC000518508439 379388241 /nfs/dbraw/zinc/38/82/41/379388241.db2.gz OCFUMOVGBUGPOP-UHFFFAOYSA-N 1 2 294.336 2.063 20 5 CEBDLO O=[N+]([O-])c1cccnc1N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000364031630 285165991 /nfs/dbraw/zinc/16/59/91/285165991.db2.gz GYZFTFNRBWFSTI-VIFPVBQESA-N 1 2 259.269 2.054 20 5 CEBDLO CC[C@@]1(O)CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413228515 394508086 /nfs/dbraw/zinc/50/80/86/394508086.db2.gz BJTSRTBPVPVHKD-OAHLLOKOSA-N 1 2 287.319 2.494 20 5 CEBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000421771834 394589246 /nfs/dbraw/zinc/58/92/46/394589246.db2.gz XZOHJBRIULZACW-UHFFFAOYSA-N 1 2 288.307 2.207 20 5 CEBDLO CNC(=O)C[C@H](C)Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413330178 394528717 /nfs/dbraw/zinc/52/87/17/394528717.db2.gz ZVXXWYQQGRIUSJ-VIFPVBQESA-N 1 2 288.307 2.080 20 5 CEBDLO Cc1ccc(CCNc2cc(C)c([N+](=O)[O-])cn2)[nH+]c1 ZINC000413348407 394532428 /nfs/dbraw/zinc/53/24/28/394532428.db2.gz CWPQZNUYCLJMRU-UHFFFAOYSA-N 1 2 272.308 2.078 20 5 CEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)Cc1cccc(F)c1 ZINC000355789632 394532420 /nfs/dbraw/zinc/53/24/20/394532420.db2.gz DZICIJRHOCADTP-UHFFFAOYSA-N 1 2 278.287 2.099 20 5 CEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)Cc1cccc(F)c1 ZINC000355789632 394532422 /nfs/dbraw/zinc/53/24/22/394532422.db2.gz DZICIJRHOCADTP-UHFFFAOYSA-N 1 2 278.287 2.099 20 5 CEBDLO CCc1nn(C)c(NCCc2ccc(C)c[nH+]2)c1[N+](=O)[O-] ZINC000413353380 394533497 /nfs/dbraw/zinc/53/34/97/394533497.db2.gz PDSWECMYNPTMPH-UHFFFAOYSA-N 1 2 289.339 2.249 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[S@@](=O)CC[C@H]1C ZINC000373036015 395052452 /nfs/dbraw/zinc/05/24/52/395052452.db2.gz KPNWDIJTZOSGQR-ODXCJYRJSA-N 1 2 296.392 2.246 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[S@@](=O)CC[C@H]1C ZINC000373036015 395052457 /nfs/dbraw/zinc/05/24/57/395052457.db2.gz KPNWDIJTZOSGQR-ODXCJYRJSA-N 1 2 296.392 2.246 20 5 CEBDLO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1nccc(N)n1 ZINC000566425272 395521597 /nfs/dbraw/zinc/52/15/97/395521597.db2.gz BZIUIVHLYILSHT-VHSXEESVSA-N 1 2 287.323 2.209 20 5 CEBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1c[nH+]c[nH]1 ZINC000446154413 395487160 /nfs/dbraw/zinc/48/71/60/395487160.db2.gz RFWCKVIDHZGRRY-UHFFFAOYSA-N 1 2 294.698 2.210 20 5 CEBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1c[nH]c[nH+]1 ZINC000446154413 395487162 /nfs/dbraw/zinc/48/71/62/395487162.db2.gz RFWCKVIDHZGRRY-UHFFFAOYSA-N 1 2 294.698 2.210 20 5 CEBDLO CCn1cc[nH+]c1[C@H](C)Nc1c([N+](=O)[O-])c(C)nn1C ZINC000450827493 395578412 /nfs/dbraw/zinc/57/84/12/395578412.db2.gz IBLSFGVNEPSFOM-VIFPVBQESA-N 1 2 278.316 2.026 20 5 CEBDLO Cc1cccc(CCNc2ncccc2[N+](=O)[O-])[nH+]1 ZINC000359828453 155143927 /nfs/dbraw/zinc/14/39/27/155143927.db2.gz GDDCAERTPIHUPT-UHFFFAOYSA-N 1 2 258.281 2.348 20 5 CEBDLO C[C@@H](O)[C@@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285288595 196241315 /nfs/dbraw/zinc/24/13/15/196241315.db2.gz BARHLBRRMQCYPC-RKDXNWHRSA-N 1 2 286.278 2.076 20 5 CEBDLO C[C@@H](O)[C@@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285288595 196241317 /nfs/dbraw/zinc/24/13/17/196241317.db2.gz BARHLBRRMQCYPC-RKDXNWHRSA-N 1 2 286.278 2.076 20 5 CEBDLO CC1=C[C@H](C)C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000430266179 263013519 /nfs/dbraw/zinc/01/35/19/263013519.db2.gz GOORPWGDQUWOJP-NSHDSACASA-N 1 2 289.335 2.431 20 5 CEBDLO CC1=C[C@H](C)C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000430266179 263013520 /nfs/dbraw/zinc/01/35/20/263013520.db2.gz GOORPWGDQUWOJP-NSHDSACASA-N 1 2 289.335 2.431 20 5 CEBDLO CC(=O)c1ccc(N2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000048993981 277111309 /nfs/dbraw/zinc/11/13/09/277111309.db2.gz HYYLHFZRPINSJY-UHFFFAOYSA-N 1 2 289.335 2.082 20 5 CEBDLO CC(C)(C)[N@H+](CC(N)=O)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000177840961 277148717 /nfs/dbraw/zinc/14/87/17/277148717.db2.gz NCXVALGZWFZDCH-UHFFFAOYSA-N 1 2 299.758 2.334 20 5 CEBDLO CC(C)(C)[N@@H+](CC(N)=O)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000177840961 277148719 /nfs/dbraw/zinc/14/87/19/277148719.db2.gz NCXVALGZWFZDCH-UHFFFAOYSA-N 1 2 299.758 2.334 20 5 CEBDLO CC[C@H]1COCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000115573861 281208652 /nfs/dbraw/zinc/20/86/52/281208652.db2.gz NBNGRSJKWUXFQV-LBPRGKRZSA-N 1 2 250.298 2.206 20 5 CEBDLO CC[C@H]1COCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000115573861 281208653 /nfs/dbraw/zinc/20/86/53/281208653.db2.gz NBNGRSJKWUXFQV-LBPRGKRZSA-N 1 2 250.298 2.206 20 5 CEBDLO Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])n2C)c(C)[nH+]1 ZINC000446425230 281760861 /nfs/dbraw/zinc/76/08/61/281760861.db2.gz JKCZKTKTHDOCNI-UHFFFAOYSA-N 1 2 274.280 2.197 20 5 CEBDLO Cc1noc(C2C[NH+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)n1 ZINC000459613108 290194754 /nfs/dbraw/zinc/19/47/54/290194754.db2.gz VMQXQFZWVASYKM-UHFFFAOYSA-N 1 2 288.307 2.194 20 5 CEBDLO CC(=O)c1cc(NCc2c[nH+]cn2C)ccc1[N+](=O)[O-] ZINC000357604830 527217200 /nfs/dbraw/zinc/21/72/00/527217200.db2.gz UCEYGCQNSWDSKW-UHFFFAOYSA-N 1 2 274.280 2.143 20 5 CEBDLO CN(C)c1cc(N2CCc3c(cccc3[N+](=O)[O-])C2)nc[nH+]1 ZINC000893000555 627936432 /nfs/dbraw/zinc/93/64/32/627936432.db2.gz WDXVFZURYMZIBV-UHFFFAOYSA-N 1 2 299.334 2.014 20 5 CEBDLO CN(C)c1cc(N2CCc3c(cccc3[N+](=O)[O-])C2)[nH+]cn1 ZINC000893000555 627936434 /nfs/dbraw/zinc/93/64/34/627936434.db2.gz WDXVFZURYMZIBV-UHFFFAOYSA-N 1 2 299.334 2.014 20 5 CEBDLO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1cnnn1C ZINC000925512375 628045809 /nfs/dbraw/zinc/04/58/09/628045809.db2.gz BXPGQJCAPTWERD-QMMMGPOBSA-N 1 2 295.730 2.228 20 5 CEBDLO Cc1cccc(CCCNc2c([N+](=O)[O-])cnn2C)[nH+]1 ZINC000893809785 629003830 /nfs/dbraw/zinc/00/38/30/629003830.db2.gz APDBICZCTIIWHD-UHFFFAOYSA-N 1 2 275.312 2.076 20 5 CEBDLO CC(=O)c1ccc([N+](=O)[O-])cc1N[C@H](C)Cn1cc[nH+]c1 ZINC000811726566 632431326 /nfs/dbraw/zinc/43/13/26/632431326.db2.gz ZQEJFHRRRYVCRU-SNVBAGLBSA-N 1 2 288.307 2.495 20 5 CEBDLO COC(=O)[C@H]([NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000901641723 634223448 /nfs/dbraw/zinc/22/34/48/634223448.db2.gz BOHSXVCCPQLMEY-IINYFYTJSA-N 1 2 292.335 2.240 20 5 CEBDLO O=[N+]([O-])CC[NH2+]Cc1cc(F)c(C(F)(F)F)cc1F ZINC000905261250 636180519 /nfs/dbraw/zinc/18/05/19/636180519.db2.gz HEWLCHCDKHITSM-UHFFFAOYSA-N 1 2 284.184 2.350 20 5 CEBDLO O=[N+]([O-])c1cn(C[NH+]2CCCCC2)nc1-c1ccccn1 ZINC000853487910 643786032 /nfs/dbraw/zinc/78/60/32/643786032.db2.gz MAMOPVZSMHZLMS-UHFFFAOYSA-N 1 2 287.323 2.297 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000775058532 646920717 /nfs/dbraw/zinc/92/07/17/646920717.db2.gz VREYYGQJJKQRGT-UHFFFAOYSA-N 1 2 263.253 2.265 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000775058532 646920720 /nfs/dbraw/zinc/92/07/20/646920720.db2.gz VREYYGQJJKQRGT-UHFFFAOYSA-N 1 2 263.253 2.265 20 5 CEBDLO Cc1cnc(N[C@H]2CCC[N@H+](CCF)C2)c([N+](=O)[O-])c1 ZINC000865927530 647538759 /nfs/dbraw/zinc/53/87/59/647538759.db2.gz CTEWJOSZBZAUKW-NSHDSACASA-N 1 2 282.319 2.144 20 5 CEBDLO Cc1cnc(N[C@H]2CCC[N@@H+](CCF)C2)c([N+](=O)[O-])c1 ZINC000865927530 647538762 /nfs/dbraw/zinc/53/87/62/647538762.db2.gz CTEWJOSZBZAUKW-NSHDSACASA-N 1 2 282.319 2.144 20 5 CEBDLO Cc1sc(C(=O)OCCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000782698428 647652462 /nfs/dbraw/zinc/65/24/62/647652462.db2.gz ZNNFQMOMEYOYMI-UHFFFAOYSA-N 1 2 295.320 2.408 20 5 CEBDLO O=C(OCCCn1cc[nH+]c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000783605134 647736482 /nfs/dbraw/zinc/73/64/82/647736482.db2.gz PLLVMZSXQBDNSF-UHFFFAOYSA-N 1 2 293.254 2.178 20 5 CEBDLO Cc1ccc(C(=O)OCCc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC000789772338 648340110 /nfs/dbraw/zinc/34/01/10/648340110.db2.gz MDWLKPGRAUXGFV-UHFFFAOYSA-N 1 2 289.291 2.036 20 5 CEBDLO Nc1cc(COC(=O)c2cc([N+](=O)[O-])ccc2F)cc[nH+]1 ZINC000791736457 648560058 /nfs/dbraw/zinc/56/00/58/648560058.db2.gz MOBBNFSTHIRKKP-UHFFFAOYSA-N 1 2 291.238 2.068 20 5 CEBDLO Cc1sc(C(=O)OCCc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC000793250543 648731282 /nfs/dbraw/zinc/73/12/82/648731282.db2.gz PKOOVZQBKXASIU-UHFFFAOYSA-N 1 2 295.320 2.098 20 5 CEBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC(F)CC3)nc2c1 ZINC000880239922 651407049 /nfs/dbraw/zinc/40/70/49/651407049.db2.gz KGRZQIDWIXSBMI-UHFFFAOYSA-N 1 2 278.287 2.405 20 5 CEBDLO CC(C)OC(=O)[C@H](C)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173209526 815635323 /nfs/dbraw/zinc/63/53/23/815635323.db2.gz CQWXALIHRLMXNL-RYUDHWBXSA-N 1 2 294.351 2.456 20 5 CEBDLO CN(Cc1[nH+]ccn1C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000124629514 187146361 /nfs/dbraw/zinc/14/63/61/187146361.db2.gz XRVWOWYPNBMKPB-UHFFFAOYSA-N 1 2 278.287 2.099 20 5 CEBDLO Cn1cc[nH+]c1CNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000567751599 299086407 /nfs/dbraw/zinc/08/64/07/299086407.db2.gz HUAIZXMNGWLBAR-UHFFFAOYSA-N 1 2 287.323 2.214 20 5 CEBDLO O=[N+]([O-])c1ccc2nc(NCCn3cc[nH+]c3)ccc2c1 ZINC000041119998 362020305 /nfs/dbraw/zinc/02/03/05/362020305.db2.gz KCGBBUDVDOZYNO-UHFFFAOYSA-N 1 2 283.291 2.452 20 5 CEBDLO CC(C)NC(=O)C[N@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000016420221 343371151 /nfs/dbraw/zinc/37/11/51/343371151.db2.gz OYANRRKXWACURT-LLVKDONJSA-N 1 2 279.340 2.112 20 5 CEBDLO CC(C)NC(=O)C[N@@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000016420221 343371154 /nfs/dbraw/zinc/37/11/54/343371154.db2.gz OYANRRKXWACURT-LLVKDONJSA-N 1 2 279.340 2.112 20 5 CEBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000047028503 343510118 /nfs/dbraw/zinc/51/01/18/343510118.db2.gz RPPXOHRROOTAGN-SNVBAGLBSA-N 1 2 289.295 2.002 20 5 CEBDLO O=[N+]([O-])c1ccc(N2CCC(n3cc[nH+]c3)CC2)nc1 ZINC000060296269 343655586 /nfs/dbraw/zinc/65/55/86/343655586.db2.gz LGVDGIAHOCPHLT-UHFFFAOYSA-N 1 2 273.296 2.028 20 5 CEBDLO CC[C@@H](C)[NH+]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000449635436 282312352 /nfs/dbraw/zinc/31/23/52/282312352.db2.gz YCDZLQMFTGVNRA-GFCCVEGCSA-N 1 2 293.367 2.217 20 5 CEBDLO C[N@H+](CC(=O)N1CCCCC1)Cc1ccccc1[N+](=O)[O-] ZINC000046598879 282342844 /nfs/dbraw/zinc/34/28/44/282342844.db2.gz ZSJCZNIBMNGKMT-UHFFFAOYSA-N 1 2 291.351 2.039 20 5 CEBDLO C[N@@H+](CC(=O)N1CCCCC1)Cc1ccccc1[N+](=O)[O-] ZINC000046598879 282342845 /nfs/dbraw/zinc/34/28/45/282342845.db2.gz ZSJCZNIBMNGKMT-UHFFFAOYSA-N 1 2 291.351 2.039 20 5 CEBDLO CCC[N@H+](CC(=O)OC)Cc1cccc([N+](=O)[O-])c1C ZINC000050066164 362397040 /nfs/dbraw/zinc/39/70/40/362397040.db2.gz PZSZEXXKJYZAJV-UHFFFAOYSA-N 1 2 280.324 2.288 20 5 CEBDLO CCC[N@@H+](CC(=O)OC)Cc1cccc([N+](=O)[O-])c1C ZINC000050066164 362397041 /nfs/dbraw/zinc/39/70/41/362397041.db2.gz PZSZEXXKJYZAJV-UHFFFAOYSA-N 1 2 280.324 2.288 20 5 CEBDLO C[C@@H](C(=O)N(C)Cc1[nH]cc[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000235079771 344589111 /nfs/dbraw/zinc/58/91/11/344589111.db2.gz OSQGPFXVWWDRSF-SNVBAGLBSA-N 1 2 288.307 2.080 20 5 CEBDLO C[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C2(CCC2)CO1 ZINC000593092137 345436939 /nfs/dbraw/zinc/43/69/39/345436939.db2.gz NCXVARZGWPGTDL-LLVKDONJSA-N 1 2 292.335 2.444 20 5 CEBDLO C[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C2(CCC2)CO1 ZINC000593092137 345436940 /nfs/dbraw/zinc/43/69/40/345436940.db2.gz NCXVARZGWPGTDL-LLVKDONJSA-N 1 2 292.335 2.444 20 5 CEBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2cc3n(n2)CCC3)cc1 ZINC000594924634 345704327 /nfs/dbraw/zinc/70/43/27/345704327.db2.gz KKCSIZTXUZBBAI-UHFFFAOYSA-N 1 2 272.308 2.027 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000595548269 345809264 /nfs/dbraw/zinc/80/92/64/345809264.db2.gz VABMJVKDMMVHGM-SECBINFHSA-N 1 2 292.295 2.185 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000595548269 345809268 /nfs/dbraw/zinc/80/92/68/345809268.db2.gz VABMJVKDMMVHGM-SECBINFHSA-N 1 2 292.295 2.185 20 5 CEBDLO Cc1noc(C[N@@H+](C)[C@H](C)c2ccncc2)c1[N+](=O)[O-] ZINC000595393341 345773650 /nfs/dbraw/zinc/77/36/50/345773650.db2.gz YWMPMIHZDKTFEA-SNVBAGLBSA-N 1 2 276.296 2.479 20 5 CEBDLO Cc1noc(C[N@H+](C)[C@H](C)c2ccncc2)c1[N+](=O)[O-] ZINC000595393341 345773653 /nfs/dbraw/zinc/77/36/53/345773653.db2.gz YWMPMIHZDKTFEA-SNVBAGLBSA-N 1 2 276.296 2.479 20 5 CEBDLO Cc1noc(C[N@@H+]2CCCc3occc3C2)c1[N+](=O)[O-] ZINC000595491285 345795168 /nfs/dbraw/zinc/79/51/68/345795168.db2.gz VBSRWFDMMLDGFU-UHFFFAOYSA-N 1 2 277.280 2.433 20 5 CEBDLO Cc1noc(C[N@H+]2CCCc3occc3C2)c1[N+](=O)[O-] ZINC000595491285 345795170 /nfs/dbraw/zinc/79/51/70/345795170.db2.gz VBSRWFDMMLDGFU-UHFFFAOYSA-N 1 2 277.280 2.433 20 5 CEBDLO C[C@@H]1C[NH+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1=O ZINC000595716074 345858631 /nfs/dbraw/zinc/85/86/31/345858631.db2.gz VACUYFLCPNZKKM-VXGBXAGGSA-N 1 2 292.335 2.131 20 5 CEBDLO Cc1cccc(C(=O)N[C@@H](C)c2[nH+]ccn2C)c1[N+](=O)[O-] ZINC000598459190 346360341 /nfs/dbraw/zinc/36/03/41/346360341.db2.gz DXHUDYWHQDZDNV-JTQLQIEISA-N 1 2 288.307 2.128 20 5 CEBDLO C[C@@H](CCO)Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599045340 346451870 /nfs/dbraw/zinc/45/18/70/346451870.db2.gz ACIVOBDVBRLWBS-VIFPVBQESA-N 1 2 261.281 2.326 20 5 CEBDLO CC(C)(O)C1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599072550 346456006 /nfs/dbraw/zinc/45/60/06/346456006.db2.gz ITQYKBPJLPNPFU-UHFFFAOYSA-N 1 2 287.319 2.350 20 5 CEBDLO CCc1nn(C)c(Nc2c[nH+]cc(N(C)C)c2)c1[N+](=O)[O-] ZINC000601213411 346791284 /nfs/dbraw/zinc/79/12/84/346791284.db2.gz CGQBVRFFHLMRFL-UHFFFAOYSA-N 1 2 290.327 2.095 20 5 CEBDLO Cc1cc(NC(C)(C)c2[nH]cc[nH+]2)ncc1[N+](=O)[O-] ZINC000603406592 347361800 /nfs/dbraw/zinc/36/18/00/347361800.db2.gz LHWDPVJSQOGOCC-UHFFFAOYSA-N 1 2 261.285 2.369 20 5 CEBDLO Cc1ccnc(N2CCC[C@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000609670449 347648989 /nfs/dbraw/zinc/64/89/89/347648989.db2.gz YACAVOLELVBMBB-LBPRGKRZSA-N 1 2 287.323 2.336 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1NCC[N@H+]1CCOC[C@@H]1C ZINC000610468589 347682537 /nfs/dbraw/zinc/68/25/37/347682537.db2.gz LBLLRYHWWIDYJP-LBPRGKRZSA-N 1 2 279.340 2.036 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1NCC[N@@H+]1CCOC[C@@H]1C ZINC000610468589 347682539 /nfs/dbraw/zinc/68/25/39/347682539.db2.gz LBLLRYHWWIDYJP-LBPRGKRZSA-N 1 2 279.340 2.036 20 5 CEBDLO Nc1c(C(=O)Nc2ccc3[nH+]ccn3c2)cccc1[N+](=O)[O-] ZINC000610521738 347689060 /nfs/dbraw/zinc/68/90/60/347689060.db2.gz SKFGCHOLWUTAOW-UHFFFAOYSA-N 1 2 297.274 2.077 20 5 CEBDLO CN(C)c1cc[nH+]c(NC(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000612346550 347872284 /nfs/dbraw/zinc/87/22/84/347872284.db2.gz KDDKEOWPHHEKQC-UHFFFAOYSA-N 1 2 292.320 2.370 20 5 CEBDLO Cn1cc(C(C)(C)[NH2+]Cc2c(F)cccc2[N+](=O)[O-])cn1 ZINC000612520499 347897435 /nfs/dbraw/zinc/89/74/35/347897435.db2.gz KDPZVWFAOVLONR-UHFFFAOYSA-N 1 2 292.314 2.492 20 5 CEBDLO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)CCO1 ZINC000351971780 219271086 /nfs/dbraw/zinc/27/10/86/219271086.db2.gz WIFWTBLDZCWEMH-GFCCVEGCSA-N 1 2 280.324 2.214 20 5 CEBDLO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)CCO1 ZINC000351971780 219271090 /nfs/dbraw/zinc/27/10/90/219271090.db2.gz WIFWTBLDZCWEMH-GFCCVEGCSA-N 1 2 280.324 2.214 20 5 CEBDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000070979160 363106162 /nfs/dbraw/zinc/10/61/62/363106162.db2.gz QWCBLIADSNTHQH-UHFFFAOYSA-N 1 2 294.698 2.244 20 5 CEBDLO COC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000273500451 192176398 /nfs/dbraw/zinc/17/63/98/192176398.db2.gz YSKIBGCORXOAJJ-UHFFFAOYSA-N 1 2 278.308 2.041 20 5 CEBDLO COC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000273500451 192176400 /nfs/dbraw/zinc/17/64/00/192176400.db2.gz YSKIBGCORXOAJJ-UHFFFAOYSA-N 1 2 278.308 2.041 20 5 CEBDLO CCn1cnnc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000158466483 188377606 /nfs/dbraw/zinc/37/76/06/188377606.db2.gz VFAMXVPGKVDMKR-JTQLQIEISA-N 1 2 275.312 2.057 20 5 CEBDLO COc1cccc(NCCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000134903437 366370810 /nfs/dbraw/zinc/37/08/10/366370810.db2.gz BMIMCCWGFPBMEC-UHFFFAOYSA-N 1 2 276.296 2.302 20 5 CEBDLO CC[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1[nH]cc[nH+]1 ZINC000140477004 366559834 /nfs/dbraw/zinc/55/98/34/366559834.db2.gz OOZTWGBUMGHIQG-LBPRGKRZSA-N 1 2 288.307 2.128 20 5 CEBDLO Cc1ccc(C[N@@H+]2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000179861973 189224952 /nfs/dbraw/zinc/22/49/52/189224952.db2.gz AWOQVJIIRBPCDK-NSHDSACASA-N 1 2 250.298 2.124 20 5 CEBDLO Cc1ccc(C[N@H+]2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000179861973 189224953 /nfs/dbraw/zinc/22/49/53/189224953.db2.gz AWOQVJIIRBPCDK-NSHDSACASA-N 1 2 250.298 2.124 20 5 CEBDLO C[C@H](Cn1cc[nH+]c1)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000094771820 364293835 /nfs/dbraw/zinc/29/38/35/364293835.db2.gz PQTBMOKJWFVGOO-SECBINFHSA-N 1 2 286.295 2.168 20 5 CEBDLO CC[C@@H]1COCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000115575785 365017120 /nfs/dbraw/zinc/01/71/20/365017120.db2.gz OMOWCQJDMZNKRL-GFCCVEGCSA-N 1 2 280.324 2.084 20 5 CEBDLO CC[C@@H]1COCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000115575785 365017123 /nfs/dbraw/zinc/01/71/23/365017123.db2.gz OMOWCQJDMZNKRL-GFCCVEGCSA-N 1 2 280.324 2.084 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)c1ncn(C)n1 ZINC000275664429 193099349 /nfs/dbraw/zinc/09/93/49/193099349.db2.gz YLOBAGDMAUCRPA-MNOVXSKESA-N 1 2 289.339 2.444 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(NCCCCn2cc[nH+]c2)n1 ZINC000162728727 367183827 /nfs/dbraw/zinc/18/38/27/367183827.db2.gz NAHFDRYYQCEHKK-UHFFFAOYSA-N 1 2 275.312 2.387 20 5 CEBDLO C[C@H](Nc1ccsc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000609192806 367223250 /nfs/dbraw/zinc/22/32/50/367223250.db2.gz LJDJHCJIZAKAAQ-UWVGGRQHSA-N 1 2 285.369 2.177 20 5 CEBDLO CCOC(=O)[C@H](C)[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000343606202 367913172 /nfs/dbraw/zinc/91/31/72/367913172.db2.gz JJJTYDGMAVXBKU-NSHDSACASA-N 1 2 280.324 2.287 20 5 CEBDLO CCOC(=O)[C@H](C)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000343606202 367913178 /nfs/dbraw/zinc/91/31/78/367913178.db2.gz JJJTYDGMAVXBKU-NSHDSACASA-N 1 2 280.324 2.287 20 5 CEBDLO COc1cc[nH+]cc1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000346720792 368786158 /nfs/dbraw/zinc/78/61/58/368786158.db2.gz NEQWALXYLYLAIT-UHFFFAOYSA-N 1 2 279.277 2.312 20 5 CEBDLO Cc1c(C[N@@H+](C)Cc2ccnn2C)cccc1[N+](=O)[O-] ZINC000348364784 369019374 /nfs/dbraw/zinc/01/93/74/369019374.db2.gz GGUNIQFVTSRQQK-UHFFFAOYSA-N 1 2 274.324 2.269 20 5 CEBDLO Cc1c(C[N@H+](C)Cc2ccnn2C)cccc1[N+](=O)[O-] ZINC000348364784 369019378 /nfs/dbraw/zinc/01/93/78/369019378.db2.gz GGUNIQFVTSRQQK-UHFFFAOYSA-N 1 2 274.324 2.269 20 5 CEBDLO O=[N+]([O-])c1ccc(-c2noc(CCn3cc[nH+]c3)n2)cc1 ZINC000349864001 369428549 /nfs/dbraw/zinc/42/85/49/369428549.db2.gz QRQBXQRAAKIEQT-UHFFFAOYSA-N 1 2 285.263 2.084 20 5 CEBDLO C[C@H]1[C@H](CO)CC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352407627 369715287 /nfs/dbraw/zinc/71/52/87/369715287.db2.gz QZDPUHGJTSHQEY-IUCAKERBSA-N 1 2 286.278 2.076 20 5 CEBDLO C[C@H]1[C@H](CO)CC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352407627 369715292 /nfs/dbraw/zinc/71/52/92/369715292.db2.gz QZDPUHGJTSHQEY-IUCAKERBSA-N 1 2 286.278 2.076 20 5 CEBDLO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](C)Cn1cc[nH+]c1 ZINC000192507618 369821924 /nfs/dbraw/zinc/82/19/24/369821924.db2.gz CRBROXHRMSGYFN-JTQLQIEISA-N 1 2 292.343 2.064 20 5 CEBDLO COc1cc(N(C)Cc2[nH+]ccn2C)c([N+](=O)[O-])cc1F ZINC000270888632 372999795 /nfs/dbraw/zinc/99/97/95/372999795.db2.gz CCFVPEQOGRDEAC-UHFFFAOYSA-N 1 2 294.286 2.112 20 5 CEBDLO CN(Cc1[nH+]ccn1C)c1ncc([N+](=O)[O-])cc1Cl ZINC000270927960 373018812 /nfs/dbraw/zinc/01/88/12/373018812.db2.gz KHGRXDTZIDOANY-UHFFFAOYSA-N 1 2 281.703 2.013 20 5 CEBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000372299662 374091494 /nfs/dbraw/zinc/09/14/94/374091494.db2.gz BSKALXJBJASEAB-GFCCVEGCSA-N 1 2 282.727 2.205 20 5 CEBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000372299662 374091496 /nfs/dbraw/zinc/09/14/96/374091496.db2.gz BSKALXJBJASEAB-GFCCVEGCSA-N 1 2 282.727 2.205 20 5 CEBDLO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ncnn1C ZINC000276626895 374241777 /nfs/dbraw/zinc/24/17/77/374241777.db2.gz NMWVVVVFSHUAEX-UWVGGRQHSA-N 1 2 275.312 2.135 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000373775179 374417146 /nfs/dbraw/zinc/41/71/46/374417146.db2.gz BOFZGPYEQQOKBR-CQSZACIVSA-N 1 2 292.335 2.214 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000373775179 374417148 /nfs/dbraw/zinc/41/71/48/374417148.db2.gz BOFZGPYEQQOKBR-CQSZACIVSA-N 1 2 292.335 2.214 20 5 CEBDLO O=[N+]([O-])c1cnc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)s1 ZINC000374488220 374580437 /nfs/dbraw/zinc/58/04/37/374580437.db2.gz LMGIVTFSWGZCAJ-SNVBAGLBSA-N 1 2 292.320 2.104 20 5 CEBDLO C[C@H](O)CC[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000283992254 375792683 /nfs/dbraw/zinc/79/26/83/375792683.db2.gz JPOGSDFXRMNDIN-QMMMGPOBSA-N 1 2 274.267 2.076 20 5 CEBDLO C[C@H](O)CC[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000283992254 375792687 /nfs/dbraw/zinc/79/26/87/375792687.db2.gz JPOGSDFXRMNDIN-QMMMGPOBSA-N 1 2 274.267 2.076 20 5 CEBDLO COc1ccc(C[NH2+][C@@H](C)c2ncc[nH]2)cc1[N+](=O)[O-] ZINC000286310287 375908263 /nfs/dbraw/zinc/90/82/63/375908263.db2.gz XCTBTRXSBFRQQP-VIFPVBQESA-N 1 2 276.296 2.177 20 5 CEBDLO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330447365 377138089 /nfs/dbraw/zinc/13/80/89/377138089.db2.gz FYDSWAWBQNPXPN-DDFAGTSDSA-N 1 2 280.324 2.034 20 5 CEBDLO C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330447365 377138092 /nfs/dbraw/zinc/13/80/92/377138092.db2.gz FYDSWAWBQNPXPN-DDFAGTSDSA-N 1 2 280.324 2.034 20 5 CEBDLO CCC[C@]1(CO)CCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330465429 377147170 /nfs/dbraw/zinc/14/71/70/377147170.db2.gz VWPGCEVEWVNYKT-OAHLLOKOSA-N 1 2 294.351 2.427 20 5 CEBDLO CCC[C@]1(CO)CCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330465429 377147184 /nfs/dbraw/zinc/14/71/84/377147184.db2.gz VWPGCEVEWVNYKT-OAHLLOKOSA-N 1 2 294.351 2.427 20 5 CEBDLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000293505448 377597592 /nfs/dbraw/zinc/59/75/92/377597592.db2.gz UTPVWFZVWQAWCX-VHSXEESVSA-N 1 2 288.307 2.485 20 5 CEBDLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000293505448 377597603 /nfs/dbraw/zinc/59/76/03/377597603.db2.gz UTPVWFZVWQAWCX-VHSXEESVSA-N 1 2 288.307 2.485 20 5 CEBDLO C[C@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@H]1C ZINC000293505446 377597673 /nfs/dbraw/zinc/59/76/73/377597673.db2.gz UTPVWFZVWQAWCX-UWVGGRQHSA-N 1 2 288.307 2.485 20 5 CEBDLO C[C@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@H]1C ZINC000293505446 377597682 /nfs/dbraw/zinc/59/76/82/377597682.db2.gz UTPVWFZVWQAWCX-UWVGGRQHSA-N 1 2 288.307 2.485 20 5 CEBDLO CC[C@H](C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000273043791 249352052 /nfs/dbraw/zinc/35/20/52/249352052.db2.gz GRKWGJRIMQBEBZ-JTQLQIEISA-N 1 2 297.380 2.213 20 5 CEBDLO C[C@@H]1C[NH+](CCSc2ccc([N+](=O)[O-])cn2)C[C@@H](C)O1 ZINC000565241920 377620860 /nfs/dbraw/zinc/62/08/60/377620860.db2.gz YSBKYQUBYOFNRG-GHMZBOCLSA-N 1 2 297.380 2.191 20 5 CEBDLO Nc1ccc(CNc2sccc2[N+](=O)[O-])c[nH+]1 ZINC000302835423 379462848 /nfs/dbraw/zinc/46/28/48/379462848.db2.gz VHVHTDZYLSAIGK-UHFFFAOYSA-N 1 2 250.283 2.246 20 5 CEBDLO C[N@H+](CCn1cccn1)Cc1ccc([N+](=O)[O-])cc1F ZINC000267081235 190302565 /nfs/dbraw/zinc/30/25/65/190302565.db2.gz XXIDYUYDAKMBNC-UHFFFAOYSA-N 1 2 278.287 2.062 20 5 CEBDLO C[N@@H+](CCn1cccn1)Cc1ccc([N+](=O)[O-])cc1F ZINC000267081235 190302566 /nfs/dbraw/zinc/30/25/66/190302566.db2.gz XXIDYUYDAKMBNC-UHFFFAOYSA-N 1 2 278.287 2.062 20 5 CEBDLO C[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)c1ccccc1[N+](=O)[O-] ZINC000492863661 380713528 /nfs/dbraw/zinc/71/35/28/380713528.db2.gz MMBXZZXETREASL-FGEFZZPRSA-N 1 2 286.291 2.209 20 5 CEBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@@H](O)C1 ZINC000107904830 285153255 /nfs/dbraw/zinc/15/32/55/285153255.db2.gz FIZNVGXRLFYOKH-SECBINFHSA-N 1 2 270.716 2.205 20 5 CEBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@@H](O)C1 ZINC000107904830 285153257 /nfs/dbraw/zinc/15/32/57/285153257.db2.gz FIZNVGXRLFYOKH-SECBINFHSA-N 1 2 270.716 2.205 20 5 CEBDLO CC(C)(CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21)C(N)=O ZINC000413059077 394476134 /nfs/dbraw/zinc/47/61/34/394476134.db2.gz DCUDTINNJIWGST-UHFFFAOYSA-N 1 2 288.307 2.066 20 5 CEBDLO C[C@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@H]1O ZINC000413227845 394508090 /nfs/dbraw/zinc/50/80/90/394508090.db2.gz PQQNBYJVARWCBL-IINYFYTJSA-N 1 2 287.319 2.350 20 5 CEBDLO C[C@@H](c1cccc(O)c1)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000356863842 394634301 /nfs/dbraw/zinc/63/43/01/394634301.db2.gz NGXVFBLKAXJRKO-JTQLQIEISA-N 1 2 290.323 2.227 20 5 CEBDLO C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000356863842 394634303 /nfs/dbraw/zinc/63/43/03/394634303.db2.gz NGXVFBLKAXJRKO-JTQLQIEISA-N 1 2 290.323 2.227 20 5 CEBDLO CN(CCCn1cc[nH+]c1)c1ccccc1[N+](=O)[O-] ZINC000268979813 394705600 /nfs/dbraw/zinc/70/56/00/394705600.db2.gz RCHTZSFWFNSETG-UHFFFAOYSA-N 1 2 260.297 2.318 20 5 CEBDLO CCC[N@H+](CCO)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285892376 394979677 /nfs/dbraw/zinc/97/96/77/394979677.db2.gz GFTVJBVUZDDBOM-UHFFFAOYSA-N 1 2 274.267 2.077 20 5 CEBDLO CCC[N@@H+](CCO)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285892376 394979679 /nfs/dbraw/zinc/97/96/79/394979679.db2.gz GFTVJBVUZDDBOM-UHFFFAOYSA-N 1 2 274.267 2.077 20 5 CEBDLO CCn1nc(C)c(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000296316591 395316698 /nfs/dbraw/zinc/31/66/98/395316698.db2.gz GYXLHWLIHBYQTC-JTQLQIEISA-N 1 2 289.339 2.365 20 5 CEBDLO Cc1c(C[N@@H+]2CC[C@@H]3CCOC(=O)[C@H]32)cccc1[N+](=O)[O-] ZINC000368581284 156369620 /nfs/dbraw/zinc/36/96/20/156369620.db2.gz QSXXKJVUEXMGEH-RISCZKNCSA-N 1 2 290.319 2.041 20 5 CEBDLO Cc1c(C[N@H+]2CC[C@@H]3CCOC(=O)[C@H]32)cccc1[N+](=O)[O-] ZINC000368581284 156369623 /nfs/dbraw/zinc/36/96/23/156369623.db2.gz QSXXKJVUEXMGEH-RISCZKNCSA-N 1 2 290.319 2.041 20 5 CEBDLO Cc1cc(N2CCC[C@H]2c2[nH]cc[nH+]2)ncc1[N+](=O)[O-] ZINC000374780475 157015053 /nfs/dbraw/zinc/01/50/53/157015053.db2.gz NAAPNAYFTXZBMQ-JTQLQIEISA-N 1 2 273.296 2.363 20 5 CEBDLO Cc1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC000010162874 170399579 /nfs/dbraw/zinc/39/95/79/170399579.db2.gz CTMVLBYOYYHEEG-UHFFFAOYSA-N 1 2 287.275 2.316 20 5 CEBDLO Cn1ccnc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285207311 196220704 /nfs/dbraw/zinc/22/07/04/196220704.db2.gz DKRQCQPUZACBRL-UHFFFAOYSA-N 1 2 274.324 2.003 20 5 CEBDLO Cn1ccnc1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285207311 196220706 /nfs/dbraw/zinc/22/07/06/196220706.db2.gz DKRQCQPUZACBRL-UHFFFAOYSA-N 1 2 274.324 2.003 20 5 CEBDLO Cn1cc[nH+]c1CNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000071274425 176106408 /nfs/dbraw/zinc/10/64/08/176106408.db2.gz LEGQBSPIDUCYHB-UHFFFAOYSA-N 1 2 283.291 2.489 20 5 CEBDLO Cn1cc(Cl)c(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000393324972 270342520 /nfs/dbraw/zinc/34/25/20/270342520.db2.gz MGSXZVHQUAYJBG-UHFFFAOYSA-N 1 2 280.715 2.272 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@]23CCOC3)c(F)c1 ZINC000421012735 270582884 /nfs/dbraw/zinc/58/28/84/270582884.db2.gz FQEOXJBKIRNOPG-ZDUSSCGKSA-N 1 2 266.272 2.099 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@]23CCOC3)c(F)c1 ZINC000421012735 270582887 /nfs/dbraw/zinc/58/28/87/270582887.db2.gz FQEOXJBKIRNOPG-ZDUSSCGKSA-N 1 2 266.272 2.099 20 5 CEBDLO CCC(=O)c1ccc(N2CC[NH+](CC)CC2)c([N+](=O)[O-])c1 ZINC000279970682 276205417 /nfs/dbraw/zinc/20/54/17/276205417.db2.gz DHDSIGCZZSZDIW-UHFFFAOYSA-N 1 2 291.351 2.329 20 5 CEBDLO CCNC(=O)C(C)(C)[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000313052698 276414990 /nfs/dbraw/zinc/41/49/90/276414990.db2.gz BYNSNMYZYPLQNC-UHFFFAOYSA-N 1 2 299.758 2.253 20 5 CEBDLO CCn1ncnc1C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000278319564 276727393 /nfs/dbraw/zinc/72/73/93/276727393.db2.gz AAFPSFYQZIZEKO-JTQLQIEISA-N 1 2 275.312 2.057 20 5 CEBDLO Cc1cn2c([nH+]1)CN(c1c(F)cc([N+](=O)[O-])cc1F)CC2 ZINC000374720168 279003626 /nfs/dbraw/zinc/00/36/26/279003626.db2.gz RJEGADZVJWMHDB-UHFFFAOYSA-N 1 2 294.261 2.398 20 5 CEBDLO C[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H](C)[C@H](C)O1 ZINC000339112771 288211478 /nfs/dbraw/zinc/21/14/78/288211478.db2.gz TVDRYMZGWOLAQF-MXWKQRLJSA-N 1 2 280.324 2.298 20 5 CEBDLO C[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H](C)[C@H](C)O1 ZINC000339112771 288211480 /nfs/dbraw/zinc/21/14/80/288211480.db2.gz TVDRYMZGWOLAQF-MXWKQRLJSA-N 1 2 280.324 2.298 20 5 CEBDLO Cn1cccc1C(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153015702 289103177 /nfs/dbraw/zinc/10/31/77/289103177.db2.gz NCEKUWMFHJXYHP-UHFFFAOYSA-N 1 2 299.330 2.174 20 5 CEBDLO Cn1cccc1C(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153015702 289103178 /nfs/dbraw/zinc/10/31/78/289103178.db2.gz NCEKUWMFHJXYHP-UHFFFAOYSA-N 1 2 299.330 2.174 20 5 CEBDLO CO[C@H]1C[C@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C12CCC2 ZINC000459729010 290218882 /nfs/dbraw/zinc/21/88/82/290218882.db2.gz DBEAQWDCNQFYDB-KBPBESRZSA-N 1 2 292.335 2.348 20 5 CEBDLO Cc1cn2c([nH+]1)CN(c1c3c(ccc1[N+](=O)[O-])NCC3)CC2 ZINC000375527629 292852652 /nfs/dbraw/zinc/85/26/52/292852652.db2.gz YZHFAUWYQQZIPR-UHFFFAOYSA-N 1 2 299.334 2.088 20 5 CEBDLO Cc1cn2cc(NC(=O)c3ccc([N+](=O)[O-])cn3)ccc2[nH+]1 ZINC000531881367 298124869 /nfs/dbraw/zinc/12/48/69/298124869.db2.gz HTRZWWVQHCATDF-UHFFFAOYSA-N 1 2 297.274 2.198 20 5 CEBDLO C[N@H+](CCc1ccccc1F)Cn1nccc1[N+](=O)[O-] ZINC000731661995 574601205 /nfs/dbraw/zinc/60/12/05/574601205.db2.gz HDQZVMVFJFCEDA-UHFFFAOYSA-N 1 2 278.287 2.062 20 5 CEBDLO C[N@@H+](CCc1ccccc1F)Cn1nccc1[N+](=O)[O-] ZINC000731661995 574601207 /nfs/dbraw/zinc/60/12/07/574601207.db2.gz HDQZVMVFJFCEDA-UHFFFAOYSA-N 1 2 278.287 2.062 20 5 CEBDLO CCn1c[nH+]c2c1CCN(c1ncc([N+](=O)[O-])cc1C)C2 ZINC000896658758 630623442 /nfs/dbraw/zinc/62/34/42/630623442.db2.gz FILPRCSBGRZNAS-UHFFFAOYSA-N 1 2 287.323 2.077 20 5 CEBDLO Cc1ccc(C[N@H+](C)Cn2cc([N+](=O)[O-])cn2)cc1C ZINC000840149531 632024551 /nfs/dbraw/zinc/02/45/51/632024551.db2.gz DWWIIFQEQSRQGH-UHFFFAOYSA-N 1 2 274.324 2.498 20 5 CEBDLO Cc1ccc(C[N@@H+](C)Cn2cc([N+](=O)[O-])cn2)cc1C ZINC000840149531 632024559 /nfs/dbraw/zinc/02/45/59/632024559.db2.gz DWWIIFQEQSRQGH-UHFFFAOYSA-N 1 2 274.324 2.498 20 5 CEBDLO C[N@H+](Cn1cc([N+](=O)[O-])cn1)C1CC(OC(C)(C)C)C1 ZINC000817375747 633644358 /nfs/dbraw/zinc/64/43/58/633644358.db2.gz ZUWRRHDPOPSEPW-UHFFFAOYSA-N 1 2 282.344 2.027 20 5 CEBDLO C[N@@H+](Cn1cc([N+](=O)[O-])cn1)C1CC(OC(C)(C)C)C1 ZINC000817375747 633644362 /nfs/dbraw/zinc/64/43/62/633644362.db2.gz ZUWRRHDPOPSEPW-UHFFFAOYSA-N 1 2 282.344 2.027 20 5 CEBDLO O=[N+]([O-])CCNC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000905029529 635793479 /nfs/dbraw/zinc/79/34/79/635793479.db2.gz XNKLVUJQFWRZPC-AWEZNQCLSA-N 1 2 297.786 2.343 20 5 CEBDLO CC[NH2+]Cc1noc(C(C)(C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000843141095 640301490 /nfs/dbraw/zinc/30/14/90/640301490.db2.gz IKQDZPLNVRJWEH-UHFFFAOYSA-N 1 2 290.323 2.413 20 5 CEBDLO CC(C)CCOC1CC[NH+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000193408997 640530713 /nfs/dbraw/zinc/53/07/13/640530713.db2.gz DDRPPFUIFDLVLL-UHFFFAOYSA-N 1 2 296.371 2.276 20 5 CEBDLO O=C(CCCn1cc[nH+]c1)OCc1ccc([N+](=O)[O-])cc1 ZINC000920928057 641210793 /nfs/dbraw/zinc/21/07/93/641210793.db2.gz QUZGSPJAMUXPOD-UHFFFAOYSA-N 1 2 289.291 2.315 20 5 CEBDLO O=C(CCCn1cc[nH+]c1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000920928163 641210983 /nfs/dbraw/zinc/21/09/83/641210983.db2.gz ZMVRDDOLGSNVJI-UHFFFAOYSA-N 1 2 292.270 2.349 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H](C)c1cn(C)nn1 ZINC000922628978 643167931 /nfs/dbraw/zinc/16/79/31/643167931.db2.gz HEPFQDQLSUWZLS-LLVKDONJSA-N 1 2 289.339 2.191 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@]12C[C@H]1COC21CCC1 ZINC000923030391 643520896 /nfs/dbraw/zinc/52/08/96/643520896.db2.gz HCCWZIFCYUMKAS-XHDPSFHLSA-N 1 2 290.319 2.102 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)c([N+](=O)[O-])c1 ZINC000839202081 644192893 /nfs/dbraw/zinc/19/28/93/644192893.db2.gz XXNHBOUVPDQQIK-QWRGUYRKSA-N 1 2 295.320 2.193 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3C[C@H]2CS3)c([N+](=O)[O-])c1 ZINC000839202081 644192896 /nfs/dbraw/zinc/19/28/96/644192896.db2.gz XXNHBOUVPDQQIK-QWRGUYRKSA-N 1 2 295.320 2.193 20 5 CEBDLO O=C(C[N@@H+]1CC[C@@H]2C[C@@H]21)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000761082070 645234756 /nfs/dbraw/zinc/23/47/56/645234756.db2.gz GRRDOIAHRYKPQM-KCJUWKMLSA-N 1 2 295.726 2.281 20 5 CEBDLO O=C(C[N@H+]1CC[C@@H]2C[C@@H]21)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000761082070 645234760 /nfs/dbraw/zinc/23/47/60/645234760.db2.gz GRRDOIAHRYKPQM-KCJUWKMLSA-N 1 2 295.726 2.281 20 5 CEBDLO Cc1ccc(C)c(C[N@H+](C)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000762049634 645357078 /nfs/dbraw/zinc/35/70/78/645357078.db2.gz FORJOWRXMCEONH-UHFFFAOYSA-N 1 2 274.324 2.498 20 5 CEBDLO Cc1ccc(C)c(C[N@@H+](C)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000762049634 645357088 /nfs/dbraw/zinc/35/70/88/645357088.db2.gz FORJOWRXMCEONH-UHFFFAOYSA-N 1 2 274.324 2.498 20 5 CEBDLO C[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccnn1C ZINC000879687364 651339865 /nfs/dbraw/zinc/33/98/65/651339865.db2.gz QVOQNMVBNKDALQ-QMMMGPOBSA-N 1 2 296.277 2.457 20 5 CEBDLO C[C@@H](OCC[NH+]1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC001210206707 802652426 /nfs/dbraw/zinc/65/24/26/802652426.db2.gz IKIGPNPLFJLXKG-GFCCVEGCSA-N 1 2 280.324 2.005 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1NCc1cc[nH+]c(N)c1 ZINC001167616918 803204200 /nfs/dbraw/zinc/20/42/00/803204200.db2.gz CLFRDUKAPOLSPQ-UHFFFAOYSA-N 1 2 258.281 2.493 20 5 CEBDLO Cc1cncc([N+](=O)[O-])c1N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001120906191 815294187 /nfs/dbraw/zinc/29/41/87/815294187.db2.gz DCVMIYMLDQFLJM-UHFFFAOYSA-N 1 2 287.323 2.405 20 5 CEBDLO Cc1cc(CNC(=O)c2ccc([N+](=O)[O-])o2)cc(C)[nH+]1 ZINC001130042920 812528775 /nfs/dbraw/zinc/52/87/75/812528775.db2.gz INPRHNKBQVBFMB-UHFFFAOYSA-N 1 2 275.264 2.130 20 5 CEBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](F)C2)c2c(c1)COCO2 ZINC000449386450 282210543 /nfs/dbraw/zinc/21/05/43/282210543.db2.gz IKXJNYSIUDGTHC-LLVKDONJSA-N 1 2 282.271 2.005 20 5 CEBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](F)C2)c2c(c1)COCO2 ZINC000449386450 282210544 /nfs/dbraw/zinc/21/05/44/282210544.db2.gz IKXJNYSIUDGTHC-LLVKDONJSA-N 1 2 282.271 2.005 20 5 CEBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](F)C2)c2c(c1)COCO2 ZINC000449386451 282210572 /nfs/dbraw/zinc/21/05/72/282210572.db2.gz IKXJNYSIUDGTHC-NSHDSACASA-N 1 2 282.271 2.005 20 5 CEBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](F)C2)c2c(c1)COCO2 ZINC000449386451 282210574 /nfs/dbraw/zinc/21/05/74/282210574.db2.gz IKXJNYSIUDGTHC-NSHDSACASA-N 1 2 282.271 2.005 20 5 CEBDLO CC[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000051737294 343552975 /nfs/dbraw/zinc/55/29/75/343552975.db2.gz AUNJHNHEDOWDFF-GFCCVEGCSA-N 1 2 280.324 2.084 20 5 CEBDLO CC[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000051737294 343552976 /nfs/dbraw/zinc/55/29/76/343552976.db2.gz AUNJHNHEDOWDFF-GFCCVEGCSA-N 1 2 280.324 2.084 20 5 CEBDLO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)c1 ZINC000081068700 344038332 /nfs/dbraw/zinc/03/83/32/344038332.db2.gz WASOLXAHKOJGBK-NSHDSACASA-N 1 2 290.241 2.094 20 5 CEBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)c1 ZINC000081068700 344038334 /nfs/dbraw/zinc/03/83/34/344038334.db2.gz WASOLXAHKOJGBK-NSHDSACASA-N 1 2 290.241 2.094 20 5 CEBDLO COC(=O)[C@@](C)([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000081153772 344040345 /nfs/dbraw/zinc/04/03/45/344040345.db2.gz KJKIHVYTRXLZFH-HNNXBMFYSA-N 1 2 292.335 2.069 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(NCC(C)(C)[NH+]2CCOCC2)c1 ZINC000088698776 344112748 /nfs/dbraw/zinc/11/27/48/344112748.db2.gz SKSNKZAKNHSJPS-UHFFFAOYSA-N 1 2 293.367 2.426 20 5 CEBDLO Cc1ccc(C[N@@H+](C)Cc2cn(C)nc2[N+](=O)[O-])s1 ZINC000602461087 347042044 /nfs/dbraw/zinc/04/20/44/347042044.db2.gz XNTLSSZSNXUMLT-UHFFFAOYSA-N 1 2 280.353 2.330 20 5 CEBDLO Cc1ccc(C[N@H+](C)Cc2cn(C)nc2[N+](=O)[O-])s1 ZINC000602461087 347042047 /nfs/dbraw/zinc/04/20/47/347042047.db2.gz XNTLSSZSNXUMLT-UHFFFAOYSA-N 1 2 280.353 2.330 20 5 CEBDLO C[C@H](CCO)[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000593109537 345441352 /nfs/dbraw/zinc/44/13/52/345441352.db2.gz ZKZQQRQEHSPPPG-MRVPVSSYSA-N 1 2 274.267 2.076 20 5 CEBDLO C[C@H](CCO)[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000593109537 345441353 /nfs/dbraw/zinc/44/13/53/345441353.db2.gz ZKZQQRQEHSPPPG-MRVPVSSYSA-N 1 2 274.267 2.076 20 5 CEBDLO Cc1noc(C[NH2+][C@@H](C)c2cccc(O)c2)c1[N+](=O)[O-] ZINC000595413930 345776876 /nfs/dbraw/zinc/77/68/76/345776876.db2.gz BYAIYWWBOQSFLI-QMMMGPOBSA-N 1 2 277.280 2.448 20 5 CEBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCOCC2(CC2)C1 ZINC000595425821 345779252 /nfs/dbraw/zinc/77/92/52/345779252.db2.gz LTGHFDFNFIRJOW-UHFFFAOYSA-N 1 2 280.299 2.346 20 5 CEBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCOCC2(CC2)C1 ZINC000595425821 345779255 /nfs/dbraw/zinc/77/92/55/345779255.db2.gz LTGHFDFNFIRJOW-UHFFFAOYSA-N 1 2 280.299 2.346 20 5 CEBDLO Cc1noc(C[N@@H+]2CCC[C@@H](OC(F)F)C2)c1[N+](=O)[O-] ZINC000595430898 345780592 /nfs/dbraw/zinc/78/05/92/345780592.db2.gz PVEGNYUFDUSVIE-MRVPVSSYSA-N 1 2 291.254 2.095 20 5 CEBDLO Cc1noc(C[N@H+]2CCC[C@@H](OC(F)F)C2)c1[N+](=O)[O-] ZINC000595430898 345780595 /nfs/dbraw/zinc/78/05/95/345780595.db2.gz PVEGNYUFDUSVIE-MRVPVSSYSA-N 1 2 291.254 2.095 20 5 CEBDLO Cc1noc(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c1[N+](=O)[O-] ZINC000595501619 345797459 /nfs/dbraw/zinc/79/74/59/345797459.db2.gz WXRIBQAXOXDEJE-GXSJLCMTSA-N 1 2 287.266 2.368 20 5 CEBDLO Cc1noc(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c1[N+](=O)[O-] ZINC000595501619 345797463 /nfs/dbraw/zinc/79/74/63/345797463.db2.gz WXRIBQAXOXDEJE-GXSJLCMTSA-N 1 2 287.266 2.368 20 5 CEBDLO Cc1cc(NCC[N@H+]2C[C@H](C)OC[C@H]2C)c([N+](=O)[O-])s1 ZINC000596433994 346022733 /nfs/dbraw/zinc/02/27/33/346022733.db2.gz WCNXOMWLJMVEGM-ZJUUUORDSA-N 1 2 299.396 2.486 20 5 CEBDLO Cc1cc(NCC[N@@H+]2C[C@H](C)OC[C@H]2C)c([N+](=O)[O-])s1 ZINC000596433994 346022736 /nfs/dbraw/zinc/02/27/36/346022736.db2.gz WCNXOMWLJMVEGM-ZJUUUORDSA-N 1 2 299.396 2.486 20 5 CEBDLO Cc1cc([N+](=O)[O-])cnc1N[C@H](C)c1[nH+]ccn1C ZINC000596543191 346051060 /nfs/dbraw/zinc/05/10/60/346051060.db2.gz NDQMJASZPLAODV-SECBINFHSA-N 1 2 261.285 2.205 20 5 CEBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCCOCC2)c1 ZINC000061918250 362698701 /nfs/dbraw/zinc/69/87/01/362698701.db2.gz SLJMEMDSYMZOIH-UHFFFAOYSA-N 1 2 270.716 2.471 20 5 CEBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCCOCC2)c1 ZINC000061918250 362698707 /nfs/dbraw/zinc/69/87/07/362698707.db2.gz SLJMEMDSYMZOIH-UHFFFAOYSA-N 1 2 270.716 2.471 20 5 CEBDLO C[C@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC[C@H]1O ZINC000599070664 346456168 /nfs/dbraw/zinc/45/61/68/346456168.db2.gz NCKQJXNZUNZEHE-IINYFYTJSA-N 1 2 287.319 2.350 20 5 CEBDLO Cc1c(C[N@@H+]2CCO[C@@H](CCF)C2)cccc1[N+](=O)[O-] ZINC000599641489 346551863 /nfs/dbraw/zinc/55/18/63/346551863.db2.gz IXJCXFUSCNALOW-ZDUSSCGKSA-N 1 2 282.315 2.464 20 5 CEBDLO Cc1c(C[N@H+]2CCO[C@@H](CCF)C2)cccc1[N+](=O)[O-] ZINC000599641489 346551864 /nfs/dbraw/zinc/55/18/64/346551864.db2.gz IXJCXFUSCNALOW-ZDUSSCGKSA-N 1 2 282.315 2.464 20 5 CEBDLO COc1cc(C[N@@H+]2CCO[C@H](CCF)C2)ccc1[N+](=O)[O-] ZINC000599643352 346552430 /nfs/dbraw/zinc/55/24/30/346552430.db2.gz SSTTYWSUCSYIDB-GFCCVEGCSA-N 1 2 298.314 2.164 20 5 CEBDLO COc1cc(C[N@H+]2CCO[C@H](CCF)C2)ccc1[N+](=O)[O-] ZINC000599643352 346552433 /nfs/dbraw/zinc/55/24/33/346552433.db2.gz SSTTYWSUCSYIDB-GFCCVEGCSA-N 1 2 298.314 2.164 20 5 CEBDLO C[C@@H]1C[C@@H](Nc2ncc(F)cc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000601171702 346777245 /nfs/dbraw/zinc/77/72/45/346777245.db2.gz OFOKYZJWZNEHJM-VXNVDRBHSA-N 1 2 277.259 2.443 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H]1CCCn2nccc21 ZINC000601173922 346777721 /nfs/dbraw/zinc/77/77/21/346777721.db2.gz MLRQHRMTYUSARM-GFCCVEGCSA-N 1 2 288.307 2.122 20 5 CEBDLO CCn1c(C)nc([N+](=O)[O-])c1NCC(C)(C)n1cc[nH+]c1 ZINC000601197438 346784626 /nfs/dbraw/zinc/78/46/26/346784626.db2.gz ANHHKFIPXBYULE-UHFFFAOYSA-N 1 2 292.343 2.163 20 5 CEBDLO CC[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])Cc1occc1C ZINC000602696009 347153142 /nfs/dbraw/zinc/15/31/42/347153142.db2.gz ZEWJLQCMDDAHLZ-UHFFFAOYSA-N 1 2 278.312 2.252 20 5 CEBDLO CC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])Cc1occc1C ZINC000602696009 347153144 /nfs/dbraw/zinc/15/31/44/347153144.db2.gz ZEWJLQCMDDAHLZ-UHFFFAOYSA-N 1 2 278.312 2.252 20 5 CEBDLO O=[N+]([O-])c1ccc(-n2c[nH+]c(CCCO)c2)c2ccncc21 ZINC000609494803 347640901 /nfs/dbraw/zinc/64/09/01/347640901.db2.gz WFDYUXVLCLJHEW-UHFFFAOYSA-N 1 2 298.302 2.254 20 5 CEBDLO Cc1cnc(N2CCC(c3c[nH]c[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000610575924 347692882 /nfs/dbraw/zinc/69/28/82/347692882.db2.gz JYVHXDCXTXHWRB-UHFFFAOYSA-N 1 2 287.323 2.405 20 5 CEBDLO Cc1cnc(N2CCC(c3c[nH+]c[nH]3)CC2)c([N+](=O)[O-])c1 ZINC000610575924 347692884 /nfs/dbraw/zinc/69/28/84/347692884.db2.gz JYVHXDCXTXHWRB-UHFFFAOYSA-N 1 2 287.323 2.405 20 5 CEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H]2CCC[C@H]21 ZINC000610585512 347694350 /nfs/dbraw/zinc/69/43/50/347694350.db2.gz RNERTACHLQEUSD-NQBHXWOUSA-N 1 2 289.335 2.406 20 5 CEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H]2CCC[C@H]21 ZINC000610585512 347694351 /nfs/dbraw/zinc/69/43/51/347694351.db2.gz RNERTACHLQEUSD-NQBHXWOUSA-N 1 2 289.335 2.406 20 5 CEBDLO Cc1cn2c([nH+]1)CN(c1c(C)cccc1[N+](=O)[O-])CC2 ZINC000611764191 347814570 /nfs/dbraw/zinc/81/45/70/347814570.db2.gz GFRINYANEGPOSN-UHFFFAOYSA-N 1 2 272.308 2.428 20 5 CEBDLO CN(CC[N@@H+]1CCOC(C)(C)C1)c1ccsc1[N+](=O)[O-] ZINC000618980591 349084217 /nfs/dbraw/zinc/08/42/17/349084217.db2.gz CLYZIJFBOISKSQ-UHFFFAOYSA-N 1 2 299.396 2.203 20 5 CEBDLO CN(CC[N@H+]1CCOC(C)(C)C1)c1ccsc1[N+](=O)[O-] ZINC000618980591 349084222 /nfs/dbraw/zinc/08/42/22/349084222.db2.gz CLYZIJFBOISKSQ-UHFFFAOYSA-N 1 2 299.396 2.203 20 5 CEBDLO Cn1cnc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000618905511 349063956 /nfs/dbraw/zinc/06/39/56/349063956.db2.gz OMNSHDLIBOHTQP-UHFFFAOYSA-N 1 2 286.335 2.493 20 5 CEBDLO Cn1cnc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000618905511 349063957 /nfs/dbraw/zinc/06/39/57/349063957.db2.gz OMNSHDLIBOHTQP-UHFFFAOYSA-N 1 2 286.335 2.493 20 5 CEBDLO O=[N+]([O-])c1cnc(N2CCC[C@@H](n3cc[nH+]c3)C2)s1 ZINC000619695388 349219239 /nfs/dbraw/zinc/21/92/39/349219239.db2.gz GLSGESATZAXICN-SECBINFHSA-N 1 2 279.325 2.089 20 5 CEBDLO CCc1nnc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])[nH]1 ZINC000292108541 198166482 /nfs/dbraw/zinc/16/64/82/198166482.db2.gz ITQDXQVITPFCDV-UHFFFAOYSA-N 1 2 289.339 2.300 20 5 CEBDLO C[C@H]1OCC[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000156160769 188246363 /nfs/dbraw/zinc/24/63/63/188246363.db2.gz UJRMNEKQWVXXIE-VXGBXAGGSA-N 1 2 280.324 2.083 20 5 CEBDLO C[C@H]1OCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000156160769 188246365 /nfs/dbraw/zinc/24/63/65/188246365.db2.gz UJRMNEKQWVXXIE-VXGBXAGGSA-N 1 2 280.324 2.083 20 5 CEBDLO C[C@H]1CCN(c2ncccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000134014256 366276664 /nfs/dbraw/zinc/27/66/64/366276664.db2.gz CLNOLTBZXWYXIZ-AAEUAGOBSA-N 1 2 287.323 2.274 20 5 CEBDLO COc1nccc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000294945212 199263567 /nfs/dbraw/zinc/26/35/67/199263567.db2.gz CZIYITGIDYCAHL-JTQLQIEISA-N 1 2 288.307 2.244 20 5 CEBDLO C[C@@H](c1cnn(C)c1)[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339075537 366642833 /nfs/dbraw/zinc/64/28/33/366642833.db2.gz KBQVNTCRBWGEOU-JTQLQIEISA-N 1 2 290.323 2.227 20 5 CEBDLO C[C@@H](c1cnn(C)c1)[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339075537 366642834 /nfs/dbraw/zinc/64/28/34/366642834.db2.gz KBQVNTCRBWGEOU-JTQLQIEISA-N 1 2 290.323 2.227 20 5 CEBDLO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339091993 366649661 /nfs/dbraw/zinc/64/96/61/366649661.db2.gz RAVVFUNZUGHZPD-JSGCOSHPSA-N 1 2 280.324 2.348 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1CNc1ccc(CO)c[nH+]1 ZINC000356341714 370667597 /nfs/dbraw/zinc/66/75/97/370667597.db2.gz LJLCWZQOICIKQS-UHFFFAOYSA-N 1 2 273.292 2.403 20 5 CEBDLO C[C@@H](Nc1sccc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000301974802 201283639 /nfs/dbraw/zinc/28/36/39/201283639.db2.gz BCSLBTKNPFMWLU-ZJUUUORDSA-N 1 2 285.369 2.177 20 5 CEBDLO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000084223665 363802890 /nfs/dbraw/zinc/80/28/90/363802890.db2.gz VZBOVVMFBSDYJM-LLVKDONJSA-N 1 2 294.351 2.457 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000090009238 364034544 /nfs/dbraw/zinc/03/45/44/364034544.db2.gz ZSJZMFSUIXZXFQ-CQSZACIVSA-N 1 2 292.335 2.214 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000090009238 364034549 /nfs/dbraw/zinc/03/45/49/364034549.db2.gz ZSJZMFSUIXZXFQ-CQSZACIVSA-N 1 2 292.335 2.214 20 5 CEBDLO Cc1cc(NC(=O)CNc2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC000112298498 364787554 /nfs/dbraw/zinc/78/75/54/364787554.db2.gz IFKKWMWNPLXPJQ-UHFFFAOYSA-N 1 2 286.291 2.349 20 5 CEBDLO C[C@@H]([NH2+][C@@H](C)c1ncn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000275510354 193062369 /nfs/dbraw/zinc/06/23/69/193062369.db2.gz HTSIIABVEYILJJ-ZJUUUORDSA-N 1 2 275.312 2.135 20 5 CEBDLO Cc1cccc(CCCNc2c([N+](=O)[O-])ncn2C)[nH+]1 ZINC000343231178 367715256 /nfs/dbraw/zinc/71/52/56/367715256.db2.gz YAYKTKVSXQDIRU-UHFFFAOYSA-N 1 2 275.312 2.076 20 5 CEBDLO COC(=O)C(C)(C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000349975624 369473495 /nfs/dbraw/zinc/47/34/95/369473495.db2.gz NYLZGYJWSFLVIS-UHFFFAOYSA-N 1 2 280.324 2.287 20 5 CEBDLO COC(=O)C(C)(C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000349975624 369473500 /nfs/dbraw/zinc/47/35/00/369473500.db2.gz NYLZGYJWSFLVIS-UHFFFAOYSA-N 1 2 280.324 2.287 20 5 CEBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1c[nH+]c[nH]1 ZINC000354330278 370317467 /nfs/dbraw/zinc/31/74/67/370317467.db2.gz WOVQKXLDILASMM-UHFFFAOYSA-N 1 2 288.307 2.173 20 5 CEBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1c[nH]c[nH+]1 ZINC000354330278 370317471 /nfs/dbraw/zinc/31/74/71/370317471.db2.gz WOVQKXLDILASMM-UHFFFAOYSA-N 1 2 288.307 2.173 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000249366719 371316269 /nfs/dbraw/zinc/31/62/69/371316269.db2.gz OLUVFWATPBHWAP-SGMGOOAPSA-N 1 2 294.351 2.046 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000249366719 371316274 /nfs/dbraw/zinc/31/62/74/371316274.db2.gz OLUVFWATPBHWAP-SGMGOOAPSA-N 1 2 294.351 2.046 20 5 CEBDLO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000370036803 373562314 /nfs/dbraw/zinc/56/23/14/373562314.db2.gz KXOASNLXWPBXCJ-LBPRGKRZSA-N 1 2 289.339 2.004 20 5 CEBDLO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000370036803 373562323 /nfs/dbraw/zinc/56/23/23/373562323.db2.gz KXOASNLXWPBXCJ-LBPRGKRZSA-N 1 2 289.339 2.004 20 5 CEBDLO CCOc1cc(C[N@@H+]2CCOC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000276948830 374355889 /nfs/dbraw/zinc/35/58/89/374355889.db2.gz UAAVZQDCRSEQDI-NSHDSACASA-N 1 2 280.324 2.214 20 5 CEBDLO CCOc1cc(C[N@H+]2CCOC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000276948830 374355893 /nfs/dbraw/zinc/35/58/93/374355893.db2.gz UAAVZQDCRSEQDI-NSHDSACASA-N 1 2 280.324 2.214 20 5 CEBDLO C[C@@H]1C[C@H](O)C[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000412026637 375538391 /nfs/dbraw/zinc/53/83/91/375538391.db2.gz KARZAMCOHKPURZ-SCZZXKLOSA-N 1 2 286.278 2.076 20 5 CEBDLO C[C@@H]1C[C@H](O)C[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000412026637 375538395 /nfs/dbraw/zinc/53/83/95/375538395.db2.gz KARZAMCOHKPURZ-SCZZXKLOSA-N 1 2 286.278 2.076 20 5 CEBDLO Nc1ccc(N2CCC(n3cc[nH+]c3)CC2)c([N+](=O)[O-])c1 ZINC000283716006 375749382 /nfs/dbraw/zinc/74/93/82/375749382.db2.gz FOBZKDVGRHZQSC-UHFFFAOYSA-N 1 2 287.323 2.215 20 5 CEBDLO C[C@H]1[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCOC1(C)C ZINC000330457996 377141931 /nfs/dbraw/zinc/14/19/31/377141931.db2.gz RDZIURSGXKTYNZ-SNVBAGLBSA-N 1 2 280.324 2.300 20 5 CEBDLO C[C@H]1[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCOC1(C)C ZINC000330457996 377141933 /nfs/dbraw/zinc/14/19/33/377141933.db2.gz RDZIURSGXKTYNZ-SNVBAGLBSA-N 1 2 280.324 2.300 20 5 CEBDLO C[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccon1 ZINC000265737238 190203186 /nfs/dbraw/zinc/20/31/86/190203186.db2.gz BIUWRLCDWWJJMG-UHFFFAOYSA-N 1 2 277.280 2.094 20 5 CEBDLO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccon1 ZINC000265737238 190203187 /nfs/dbraw/zinc/20/31/87/190203187.db2.gz BIUWRLCDWWJJMG-UHFFFAOYSA-N 1 2 277.280 2.094 20 5 CEBDLO Cc1nc(N[C@H](c2[nH]cc[nH+]2)C(C)C)ncc1[N+](=O)[O-] ZINC000296736546 378633218 /nfs/dbraw/zinc/63/32/18/378633218.db2.gz JFCAHUMSWFKSGG-JTQLQIEISA-N 1 2 276.300 2.226 20 5 CEBDLO CCn1cc[nH+]c1[C@H](C)Nc1ncc([N+](=O)[O-])s1 ZINC000450827457 378598525 /nfs/dbraw/zinc/59/85/25/378598525.db2.gz HVBILUHQTSWLHH-ZETCQYMHSA-N 1 2 267.314 2.441 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1-c1noc(CCn2cc[nH+]c2)n1 ZINC000547107571 380428706 /nfs/dbraw/zinc/42/87/06/380428706.db2.gz YBNNSTWCSUZCPE-UHFFFAOYSA-N 1 2 299.290 2.392 20 5 CEBDLO C[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000492815514 380698683 /nfs/dbraw/zinc/69/86/83/380698683.db2.gz XJPQJBPTSRINGK-PORFMDCZSA-N 1 2 286.291 2.209 20 5 CEBDLO CC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@H](C)OC ZINC000339208367 285095742 /nfs/dbraw/zinc/09/57/42/285095742.db2.gz VSYMCBJHFDOFKW-JTQLQIEISA-N 1 2 268.313 2.157 20 5 CEBDLO CC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@H](C)OC ZINC000339208367 285095744 /nfs/dbraw/zinc/09/57/44/285095744.db2.gz VSYMCBJHFDOFKW-JTQLQIEISA-N 1 2 268.313 2.157 20 5 CEBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1ccncc1)CCO2 ZINC000352674368 285142594 /nfs/dbraw/zinc/14/25/94/285142594.db2.gz CQCQIRIAKZKFAW-UHFFFAOYSA-N 1 2 285.303 2.384 20 5 CEBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1ccncc1)CCO2 ZINC000352674368 285142595 /nfs/dbraw/zinc/14/25/95/285142595.db2.gz CQCQIRIAKZKFAW-UHFFFAOYSA-N 1 2 285.303 2.384 20 5 CEBDLO CN(C)c1ccc(CNc2ncc([N+](=O)[O-])s2)c[nH+]1 ZINC000281783831 195379483 /nfs/dbraw/zinc/37/94/83/195379483.db2.gz DMXXLIMWPMPTKZ-UHFFFAOYSA-N 1 2 279.325 2.124 20 5 CEBDLO Cc1cc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)nc[nH+]1 ZINC000301236110 394459151 /nfs/dbraw/zinc/45/91/51/394459151.db2.gz KJZIRGHQQWJDOL-UHFFFAOYSA-N 1 2 299.334 2.020 20 5 CEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC[C@@H](CO)C3)c2c1 ZINC000413022959 394464561 /nfs/dbraw/zinc/46/45/61/394464561.db2.gz HDRZGWJITVRMIJ-LLVKDONJSA-N 1 2 287.319 2.352 20 5 CEBDLO Cc1ccccc1C[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355652069 394488852 /nfs/dbraw/zinc/48/88/52/394488852.db2.gz CPUYGKDWKUWVSW-UHFFFAOYSA-N 1 2 274.324 2.269 20 5 CEBDLO Cc1ccccc1C[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355652069 394488856 /nfs/dbraw/zinc/48/88/56/394488856.db2.gz CPUYGKDWKUWVSW-UHFFFAOYSA-N 1 2 274.324 2.269 20 5 CEBDLO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000038887382 394499419 /nfs/dbraw/zinc/49/94/19/394499419.db2.gz BIYVVCTURGEAAR-CYBMUJFWSA-N 1 2 278.308 2.122 20 5 CEBDLO CCOC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000038887382 394499422 /nfs/dbraw/zinc/49/94/22/394499422.db2.gz BIYVVCTURGEAAR-CYBMUJFWSA-N 1 2 278.308 2.122 20 5 CEBDLO C[C@H](CO)CCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413199440 394503043 /nfs/dbraw/zinc/50/30/43/394503043.db2.gz DAFPLPVDTNMROP-NSHDSACASA-N 1 2 289.335 2.385 20 5 CEBDLO CN(CC1(CO)CC1)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413240304 394510670 /nfs/dbraw/zinc/51/06/70/394510670.db2.gz FYVMWRHWCVMZRX-UHFFFAOYSA-N 1 2 287.319 2.352 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCN(C)[C@H](C)[C@H]1C ZINC000361152103 394817709 /nfs/dbraw/zinc/81/77/09/394817709.db2.gz HZXDHLUXZXOPDG-CHWSQXEVSA-N 1 2 277.368 2.428 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCN(C)[C@H](C)[C@H]1C ZINC000361152103 394817712 /nfs/dbraw/zinc/81/77/12/394817712.db2.gz HZXDHLUXZXOPDG-CHWSQXEVSA-N 1 2 277.368 2.428 20 5 CEBDLO COCCC[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000286090810 395011345 /nfs/dbraw/zinc/01/13/45/395011345.db2.gz UDFDUXNOGCBFCO-UHFFFAOYSA-N 1 2 274.267 2.341 20 5 CEBDLO COCCC[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000286090810 395011347 /nfs/dbraw/zinc/01/13/47/395011347.db2.gz UDFDUXNOGCBFCO-UHFFFAOYSA-N 1 2 274.267 2.341 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[S@](=O)CC[C@@H]1C ZINC000373036013 395052725 /nfs/dbraw/zinc/05/27/25/395052725.db2.gz KPNWDIJTZOSGQR-FKIZINRSSA-N 1 2 296.392 2.246 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[S@](=O)CC[C@@H]1C ZINC000373036013 395052727 /nfs/dbraw/zinc/05/27/27/395052727.db2.gz KPNWDIJTZOSGQR-FKIZINRSSA-N 1 2 296.392 2.246 20 5 CEBDLO CC(F)(F)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000520219876 395238094 /nfs/dbraw/zinc/23/80/94/395238094.db2.gz MKCVIRPTVVQELR-UHFFFAOYSA-N 1 2 287.266 2.168 20 5 CEBDLO C[C@@H]([NH2+]Cc1nnc(C2CC2)[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000296286219 395315843 /nfs/dbraw/zinc/31/58/43/395315843.db2.gz FEXOTBHNMSHTFS-SECBINFHSA-N 1 2 287.323 2.441 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](F)C1 ZINC000451180110 395587830 /nfs/dbraw/zinc/58/78/30/395587830.db2.gz CFJJOHPPTRRVEE-SNVBAGLBSA-N 1 2 254.261 2.147 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](F)C1 ZINC000451180110 395587831 /nfs/dbraw/zinc/58/78/31/395587831.db2.gz CFJJOHPPTRRVEE-SNVBAGLBSA-N 1 2 254.261 2.147 20 5 CEBDLO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(F)F ZINC000156760424 289202429 /nfs/dbraw/zinc/20/24/29/289202429.db2.gz LRUSHDYVJMSMGG-UHFFFAOYSA-N 1 2 287.266 2.120 20 5 CEBDLO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(F)F ZINC000156760424 289202431 /nfs/dbraw/zinc/20/24/31/289202431.db2.gz LRUSHDYVJMSMGG-UHFFFAOYSA-N 1 2 287.266 2.120 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCOCC1 ZINC000182593860 292295928 /nfs/dbraw/zinc/29/59/28/292295928.db2.gz FCIJQFJTPQVAPT-NSHDSACASA-N 1 2 250.298 2.296 20 5 CEBDLO CCOc1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1[N+](=O)[O-] ZINC000375972852 157170230 /nfs/dbraw/zinc/17/02/30/157170230.db2.gz GXYFOOUPUZZKBL-BETUJISGSA-N 1 2 292.335 2.357 20 5 CEBDLO CCOc1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1[N+](=O)[O-] ZINC000375972852 157170234 /nfs/dbraw/zinc/17/02/34/157170234.db2.gz GXYFOOUPUZZKBL-BETUJISGSA-N 1 2 292.335 2.357 20 5 CEBDLO Cn1cc[nH+]c1CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000071274415 176106298 /nfs/dbraw/zinc/10/62/98/176106298.db2.gz AGJBIYHNXRBTSE-UHFFFAOYSA-N 1 2 283.291 2.489 20 5 CEBDLO C[C@@H]1COC[C@@H](C)[NH+]1Cc1cccc([N+](=O)[O-])c1 ZINC000077366053 177257764 /nfs/dbraw/zinc/25/77/64/177257764.db2.gz ZQMHYKXJOMLLMK-GHMZBOCLSA-N 1 2 250.298 2.204 20 5 CEBDLO COc1ccc(C[NH+]2[C@@H](C)COC[C@@H]2C)cc1[N+](=O)[O-] ZINC000077367946 177258513 /nfs/dbraw/zinc/25/85/13/177258513.db2.gz BXVXTCZCDQHBMG-QWRGUYRKSA-N 1 2 280.324 2.213 20 5 CEBDLO Cn1cnc([N+](=O)[O-])c1NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000354782419 227105544 /nfs/dbraw/zinc/10/55/44/227105544.db2.gz AGFRWLMIKNCYBB-UHFFFAOYSA-N 1 2 298.306 2.331 20 5 CEBDLO O=C(NC1CCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448926744 282040453 /nfs/dbraw/zinc/04/04/53/282040453.db2.gz FOQFYROJCRMRLN-UHFFFAOYSA-N 1 2 286.291 2.063 20 5 CEBDLO Cc1c(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cnn1C ZINC000153123984 289106435 /nfs/dbraw/zinc/10/64/35/289106435.db2.gz DRRDCSWTUIXVKA-UHFFFAOYSA-N 1 2 286.335 2.195 20 5 CEBDLO Cc1c(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cnn1C ZINC000153123984 289106438 /nfs/dbraw/zinc/10/64/38/289106438.db2.gz DRRDCSWTUIXVKA-UHFFFAOYSA-N 1 2 286.335 2.195 20 5 CEBDLO CCn1cc[nH+]c1/C=C/C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000158663660 289238659 /nfs/dbraw/zinc/23/86/59/289238659.db2.gz HTIJARGPUDKUDT-VOTSOKGWSA-N 1 2 286.291 2.463 20 5 CEBDLO CCn1ncnc1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000530530210 298076711 /nfs/dbraw/zinc/07/67/11/298076711.db2.gz NKYQSTLITSRNKL-NSHDSACASA-N 1 2 289.339 2.365 20 5 CEBDLO O=[N+]([O-])c1cccc2c1CC[N@@H+](Cc1ncccc1O)C2 ZINC000567280208 299048898 /nfs/dbraw/zinc/04/88/98/299048898.db2.gz APFSTYWJQXEYSP-UHFFFAOYSA-N 1 2 285.303 2.254 20 5 CEBDLO O=[N+]([O-])c1cccc2c1CC[N@H+](Cc1ncccc1O)C2 ZINC000567280208 299048900 /nfs/dbraw/zinc/04/89/00/299048900.db2.gz APFSTYWJQXEYSP-UHFFFAOYSA-N 1 2 285.303 2.254 20 5 CEBDLO [NH3+]C1(c2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)CCCC1 ZINC000414612711 303360073 /nfs/dbraw/zinc/36/00/73/303360073.db2.gz DYRJWWJNGFDCGF-UHFFFAOYSA-N 1 2 290.279 2.078 20 5 CEBDLO C[N@@H+]1CCO[C@@H](CSc2c(F)cccc2[N+](=O)[O-])C1 ZINC000571877920 314109414 /nfs/dbraw/zinc/10/94/14/314109414.db2.gz NWRMKRJKHZOBHS-SECBINFHSA-N 1 2 286.328 2.157 20 5 CEBDLO C[N@H+]1CCO[C@@H](CSc2c(F)cccc2[N+](=O)[O-])C1 ZINC000571877920 314109417 /nfs/dbraw/zinc/10/94/17/314109417.db2.gz NWRMKRJKHZOBHS-SECBINFHSA-N 1 2 286.328 2.157 20 5 CEBDLO CC1(C)C[NH+](CC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000577625922 314396955 /nfs/dbraw/zinc/39/69/55/314396955.db2.gz WZWUTKJVHOTZMZ-UHFFFAOYSA-N 1 2 281.287 2.014 20 5 CEBDLO O=C(Nc1cccc2[nH+]ccn21)c1ccc([N+](=O)[O-])cc1 ZINC000357449503 534376665 /nfs/dbraw/zinc/37/66/65/534376665.db2.gz GFRAGYBLSRGSSF-UHFFFAOYSA-N 1 2 282.259 2.495 20 5 CEBDLO NC(=O)c1ccc(C[NH+]2Cc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000155537929 534480296 /nfs/dbraw/zinc/48/02/96/534480296.db2.gz WPUWXUOHAXUHAU-UHFFFAOYSA-N 1 2 297.314 2.210 20 5 CEBDLO O=[N+]([O-])c1cnn(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC000729469213 574488569 /nfs/dbraw/zinc/48/85/69/574488569.db2.gz KRLFTVDZOOCKOS-GFCCVEGCSA-N 1 2 290.298 2.377 20 5 CEBDLO O=[N+]([O-])c1cnn(C[N@H+]2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC000729469213 574488570 /nfs/dbraw/zinc/48/85/70/574488570.db2.gz KRLFTVDZOOCKOS-GFCCVEGCSA-N 1 2 290.298 2.377 20 5 CEBDLO O=[N+]([O-])c1cnn(C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)c1 ZINC000176823772 625074871 /nfs/dbraw/zinc/07/48/71/625074871.db2.gz XGWOAUGMQXVCEL-RYUDHWBXSA-N 1 2 282.369 2.109 20 5 CEBDLO O=[N+]([O-])c1cnn(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)c1 ZINC000176823772 625074881 /nfs/dbraw/zinc/07/48/81/625074881.db2.gz XGWOAUGMQXVCEL-RYUDHWBXSA-N 1 2 282.369 2.109 20 5 CEBDLO COc1cc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)on1 ZINC000925314509 631801996 /nfs/dbraw/zinc/80/19/96/631801996.db2.gz SVLGNDRGHWSOOM-VIFPVBQESA-N 1 2 277.280 2.442 20 5 CEBDLO CC(=O)c1ccc([N+](=O)[O-])cc1N[C@@H](C)Cn1cc[nH+]c1 ZINC000811726565 632430984 /nfs/dbraw/zinc/43/09/84/632430984.db2.gz ZQEJFHRRRYVCRU-JTQLQIEISA-N 1 2 288.307 2.495 20 5 CEBDLO CC(C)(C)OC[C@H]1CCC[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000905725409 636415269 /nfs/dbraw/zinc/41/52/69/636415269.db2.gz SKGXOFZMOPPWFD-LLVKDONJSA-N 1 2 282.344 2.028 20 5 CEBDLO CC(C)(C)OC[C@H]1CCC[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000905725409 636415273 /nfs/dbraw/zinc/41/52/73/636415273.db2.gz SKGXOFZMOPPWFD-LLVKDONJSA-N 1 2 282.344 2.028 20 5 CEBDLO C[C@@H](CC(=O)OCc1cccc([N+](=O)[O-])c1)n1cc[nH+]c1 ZINC000844358539 640691042 /nfs/dbraw/zinc/69/10/42/640691042.db2.gz JHUNHQXEGNVAII-NSHDSACASA-N 1 2 289.291 2.486 20 5 CEBDLO Cc1nn(C[N@H+]2CCC[C@H](OC(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000844718226 640816385 /nfs/dbraw/zinc/81/63/85/640816385.db2.gz DJZKPMYUMOEKDR-ZDUSSCGKSA-N 1 2 296.371 2.255 20 5 CEBDLO Cc1nn(C[N@@H+]2CCC[C@H](OC(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000844718226 640816389 /nfs/dbraw/zinc/81/63/89/640816389.db2.gz DJZKPMYUMOEKDR-ZDUSSCGKSA-N 1 2 296.371 2.255 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H](C)c1cn(C)nn1 ZINC000922628980 643167769 /nfs/dbraw/zinc/16/77/69/643167769.db2.gz HEPFQDQLSUWZLS-NSHDSACASA-N 1 2 289.339 2.191 20 5 CEBDLO CC[C@H]([NH2+]Cc1cnn(CC)n1)c1cccc([N+](=O)[O-])c1 ZINC000838970073 644101745 /nfs/dbraw/zinc/10/17/45/644101745.db2.gz ZOQVBNUBTJCLDU-AWEZNQCLSA-N 1 2 289.339 2.447 20 5 CEBDLO CN(C)c1cc(COC(=O)c2ccc([N+](=O)[O-])o2)cc[nH+]1 ZINC000755885938 644575543 /nfs/dbraw/zinc/57/55/43/644575543.db2.gz ROEVBLBBAHDXFL-UHFFFAOYSA-N 1 2 291.263 2.006 20 5 CEBDLO COC(=O)/C(C)=C\C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000757167703 644739122 /nfs/dbraw/zinc/73/91/22/644739122.db2.gz JRVZDAWSSUNUBX-WDZFZDKYSA-N 1 2 290.319 2.072 20 5 CEBDLO COC(=O)/C(C)=C\C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000757167703 644739128 /nfs/dbraw/zinc/73/91/28/644739128.db2.gz JRVZDAWSSUNUBX-WDZFZDKYSA-N 1 2 290.319 2.072 20 5 CEBDLO O=C(NCc1ccc([N+](=O)[O-])cc1)c1cccc2[nH+]ccn21 ZINC000770075186 646355585 /nfs/dbraw/zinc/35/55/85/646355585.db2.gz NWABPXPZFJDURE-UHFFFAOYSA-N 1 2 296.286 2.173 20 5 CEBDLO Cn1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)n1 ZINC000783651783 647744077 /nfs/dbraw/zinc/74/40/77/647744077.db2.gz VTFUFSGEGRIEFD-UHFFFAOYSA-N 1 2 280.715 2.272 20 5 CEBDLO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1ncnn1C ZINC000789595582 648321682 /nfs/dbraw/zinc/32/16/82/648321682.db2.gz WCANLIZIDNHXGA-MRVPVSSYSA-N 1 2 295.730 2.228 20 5 CEBDLO Cc1nnc(CC[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])[nH]1 ZINC000872061079 649258020 /nfs/dbraw/zinc/25/80/20/649258020.db2.gz VXRUAGXMTFNZAN-MRVPVSSYSA-N 1 2 293.302 2.054 20 5 CEBDLO Cc1nonc1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000872136663 649288817 /nfs/dbraw/zinc/28/88/17/649288817.db2.gz NYYCFHHWKRFUJX-ZDUSSCGKSA-N 1 2 288.307 2.453 20 5 CEBDLO CCNC(=O)C[N@H+](CC)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000131030065 652367822 /nfs/dbraw/zinc/36/78/22/652367822.db2.gz KFXHTJHJPIDEFA-UHFFFAOYSA-N 1 2 299.758 2.206 20 5 CEBDLO CCNC(=O)C[N@@H+](CC)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000131030065 652367824 /nfs/dbraw/zinc/36/78/24/652367824.db2.gz KFXHTJHJPIDEFA-UHFFFAOYSA-N 1 2 299.758 2.206 20 5 CEBDLO Nc1cc(CNc2c(Cl)nccc2[N+](=O)[O-])cc[nH+]1 ZINC001167612489 803200623 /nfs/dbraw/zinc/20/06/23/803200623.db2.gz CGLTZCYNSIXTCT-UHFFFAOYSA-N 1 2 279.687 2.233 20 5 CEBDLO COc1ccc(C[C@@H](C)[N@@H+]2CCO[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001170336341 812390691 /nfs/dbraw/zinc/39/06/91/812390691.db2.gz WQWDJQAGOVMUOU-VXGBXAGGSA-N 1 2 294.351 2.255 20 5 CEBDLO COc1ccc(C[C@@H](C)[N@H+]2CCO[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001170336341 812390698 /nfs/dbraw/zinc/39/06/98/812390698.db2.gz WQWDJQAGOVMUOU-VXGBXAGGSA-N 1 2 294.351 2.255 20 5 CEBDLO C[C@H](O)CCC[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001116738802 814878591 /nfs/dbraw/zinc/87/85/91/814878591.db2.gz NFZKNWRMTBAUFN-JTQLQIEISA-N 1 2 250.298 2.071 20 5 CEBDLO C[C@H](O)CCC[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001116738802 814878594 /nfs/dbraw/zinc/87/85/94/814878594.db2.gz NFZKNWRMTBAUFN-JTQLQIEISA-N 1 2 250.298 2.071 20 5 CEBDLO CC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C1COC1 ZINC000449423635 282230479 /nfs/dbraw/zinc/23/04/79/282230479.db2.gz IIBJZEMGXSISKE-UHFFFAOYSA-N 1 2 250.298 2.124 20 5 CEBDLO CC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C1COC1 ZINC000449423635 282230481 /nfs/dbraw/zinc/23/04/81/282230481.db2.gz IIBJZEMGXSISKE-UHFFFAOYSA-N 1 2 250.298 2.124 20 5 CEBDLO CC[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000045752388 362167719 /nfs/dbraw/zinc/16/77/19/362167719.db2.gz LBHOVWDYCVLTGS-GFCCVEGCSA-N 1 2 250.298 2.206 20 5 CEBDLO CC[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000045752388 362167727 /nfs/dbraw/zinc/16/77/27/362167727.db2.gz LBHOVWDYCVLTGS-GFCCVEGCSA-N 1 2 250.298 2.206 20 5 CEBDLO CC1(C)COCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000049981255 343540677 /nfs/dbraw/zinc/54/06/77/343540677.db2.gz IWEOZJDSWIVLIA-UHFFFAOYSA-N 1 2 250.298 2.206 20 5 CEBDLO CC1(C)COCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000049981255 343540678 /nfs/dbraw/zinc/54/06/78/343540678.db2.gz IWEOZJDSWIVLIA-UHFFFAOYSA-N 1 2 250.298 2.206 20 5 CEBDLO O=[N+]([O-])c1cccnc1NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000068320592 343761314 /nfs/dbraw/zinc/76/13/14/343761314.db2.gz XFKPDSVJGDAESO-UHFFFAOYSA-N 1 2 296.290 2.183 20 5 CEBDLO CC[C@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000092486782 344191438 /nfs/dbraw/zinc/19/14/38/344191438.db2.gz MHLDDGSTMPQVPX-GWCFXTLKSA-N 1 2 280.324 2.300 20 5 CEBDLO CC[C@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000092486782 344191440 /nfs/dbraw/zinc/19/14/40/344191440.db2.gz MHLDDGSTMPQVPX-GWCFXTLKSA-N 1 2 280.324 2.300 20 5 CEBDLO CCC[N@H+](CC(=O)OCC)Cc1cccc([N+](=O)[O-])c1 ZINC000049947318 362384821 /nfs/dbraw/zinc/38/48/21/362384821.db2.gz PBTAZCYSKSRCGS-UHFFFAOYSA-N 1 2 280.324 2.370 20 5 CEBDLO CCC[N@@H+](CC(=O)OCC)Cc1cccc([N+](=O)[O-])c1 ZINC000049947318 362384827 /nfs/dbraw/zinc/38/48/27/362384827.db2.gz PBTAZCYSKSRCGS-UHFFFAOYSA-N 1 2 280.324 2.370 20 5 CEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)Cc1ccc(F)cc1 ZINC000355807496 529974906 /nfs/dbraw/zinc/97/49/06/529974906.db2.gz ZCVZRUKRAKUHQN-UHFFFAOYSA-N 1 2 278.287 2.099 20 5 CEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)Cc1ccc(F)cc1 ZINC000355807496 529974908 /nfs/dbraw/zinc/97/49/08/529974908.db2.gz ZCVZRUKRAKUHQN-UHFFFAOYSA-N 1 2 278.287 2.099 20 5 CEBDLO C[C@H](Cn1cc[nH+]c1)Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000315885592 344748164 /nfs/dbraw/zinc/74/81/64/344748164.db2.gz AYPMBUYPPHCPLV-SNVBAGLBSA-N 1 2 298.306 2.235 20 5 CEBDLO CC[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1nc(C)cs1 ZINC000602567019 347080787 /nfs/dbraw/zinc/08/07/87/347080787.db2.gz SSJXUJXDRSAFOT-SNVBAGLBSA-N 1 2 295.368 2.334 20 5 CEBDLO O=[N+]([O-])c1c2cccnc2ccc1N1CCc2[nH+]c[nH]c2C1 ZINC000590567534 345145806 /nfs/dbraw/zinc/14/58/06/345145806.db2.gz NBRBOSWWAZFYOU-UHFFFAOYSA-N 1 2 295.302 2.429 20 5 CEBDLO CN(Cc1c[nH+]c[nH]1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000595591797 345819904 /nfs/dbraw/zinc/81/99/04/345819904.db2.gz KLMRKOFHSLIAQY-UHFFFAOYSA-N 1 2 282.250 2.228 20 5 CEBDLO CN(Cc1c[nH]c[nH+]1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000595591797 345819906 /nfs/dbraw/zinc/81/99/06/345819906.db2.gz KLMRKOFHSLIAQY-UHFFFAOYSA-N 1 2 282.250 2.228 20 5 CEBDLO CC[C@@H]1C[N@H+](Cc2onc(C)c2[N+](=O)[O-])CCS1 ZINC000595334437 345763903 /nfs/dbraw/zinc/76/39/03/345763903.db2.gz OLIWDKUKDKVLKY-SECBINFHSA-N 1 2 271.342 2.219 20 5 CEBDLO CC[C@@H]1C[N@@H+](Cc2onc(C)c2[N+](=O)[O-])CCS1 ZINC000595334437 345763906 /nfs/dbraw/zinc/76/39/06/345763906.db2.gz OLIWDKUKDKVLKY-SECBINFHSA-N 1 2 271.342 2.219 20 5 CEBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000595403553 345774716 /nfs/dbraw/zinc/77/47/16/345774716.db2.gz DBGDMZPLABEQCZ-AWEZNQCLSA-N 1 2 280.299 2.345 20 5 CEBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCOC[C@H]1C1CC1 ZINC000595403553 345774719 /nfs/dbraw/zinc/77/47/19/345774719.db2.gz DBGDMZPLABEQCZ-AWEZNQCLSA-N 1 2 280.299 2.345 20 5 CEBDLO Cc1noc(C[N@@H+]2CCC[C@H](OCC3CC3)C2)c1[N+](=O)[O-] ZINC000595444577 345783994 /nfs/dbraw/zinc/78/39/94/345783994.db2.gz BLTBZAQPQZCVJU-LBPRGKRZSA-N 1 2 295.339 2.282 20 5 CEBDLO Cc1noc(C[N@H+]2CCC[C@H](OCC3CC3)C2)c1[N+](=O)[O-] ZINC000595444577 345783995 /nfs/dbraw/zinc/78/39/95/345783995.db2.gz BLTBZAQPQZCVJU-LBPRGKRZSA-N 1 2 295.339 2.282 20 5 CEBDLO CC(C)[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1COC1 ZINC000595508476 345798948 /nfs/dbraw/zinc/79/89/48/345798948.db2.gz XSIBHGYDXZXCJN-UHFFFAOYSA-N 1 2 268.288 2.343 20 5 CEBDLO CC(C)[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1COC1 ZINC000595508476 345798951 /nfs/dbraw/zinc/79/89/51/345798951.db2.gz XSIBHGYDXZXCJN-UHFFFAOYSA-N 1 2 268.288 2.343 20 5 CEBDLO C[C@@H]1C[N@H+](CCNc2c(F)cccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000596430333 346022210 /nfs/dbraw/zinc/02/22/10/346022210.db2.gz LRRGHTXIBLAEKO-WDEREUQCSA-N 1 2 297.330 2.255 20 5 CEBDLO C[C@@H]1C[N@@H+](CCNc2c(F)cccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000596430333 346022212 /nfs/dbraw/zinc/02/22/12/346022212.db2.gz LRRGHTXIBLAEKO-WDEREUQCSA-N 1 2 297.330 2.255 20 5 CEBDLO CN(Cc1c[nH+]c[nH]1)c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000596312314 345996664 /nfs/dbraw/zinc/99/66/64/345996664.db2.gz KPMUTBFNTCUIRM-UHFFFAOYSA-N 1 2 287.323 2.228 20 5 CEBDLO CN(Cc1c[nH]c[nH+]1)c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000596312314 345996665 /nfs/dbraw/zinc/99/66/65/345996665.db2.gz KPMUTBFNTCUIRM-UHFFFAOYSA-N 1 2 287.323 2.228 20 5 CEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N[C@H]3C[C@H](O)C3)c2c1 ZINC000596555248 346053593 /nfs/dbraw/zinc/05/35/93/346053593.db2.gz JJCSCOUVWYWMPG-HOMQSWHASA-N 1 2 259.265 2.078 20 5 CEBDLO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@@H+]1CCc2n[nH]nc2C1 ZINC000597250030 346162522 /nfs/dbraw/zinc/16/25/22/346162522.db2.gz QMSICAMYSFXAME-YRNVUSSQSA-N 1 2 299.334 2.175 20 5 CEBDLO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@H+]1CCc2n[nH]nc2C1 ZINC000597250030 346162525 /nfs/dbraw/zinc/16/25/25/346162525.db2.gz QMSICAMYSFXAME-YRNVUSSQSA-N 1 2 299.334 2.175 20 5 CEBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC(CO)CC1 ZINC000599020562 346447389 /nfs/dbraw/zinc/44/73/89/346447389.db2.gz VAOMCRODWPACDY-UHFFFAOYSA-N 1 2 287.319 2.352 20 5 CEBDLO C[C@@]1(O)CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599066674 346455013 /nfs/dbraw/zinc/45/50/13/346455013.db2.gz WXDDTEMNIKKQKA-OAHLLOKOSA-N 1 2 287.319 2.494 20 5 CEBDLO C[C@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC[C@@H]1O ZINC000599070663 346455683 /nfs/dbraw/zinc/45/56/83/346455683.db2.gz NCKQJXNZUNZEHE-HZMBPMFUSA-N 1 2 287.319 2.350 20 5 CEBDLO O=[N+]([O-])c1c(N[C@H](CO)CCF)ccc2c[nH+]ccc21 ZINC000599098241 346459783 /nfs/dbraw/zinc/45/97/83/346459783.db2.gz RZKGLZWYRCFHMR-JTQLQIEISA-N 1 2 279.271 2.275 20 5 CEBDLO C[N@H+](CC(=O)NCC(C)(C)C)Cc1ccccc1[N+](=O)[O-] ZINC000599257988 346485527 /nfs/dbraw/zinc/48/55/27/346485527.db2.gz BICLBIPGMDRYNS-UHFFFAOYSA-N 1 2 293.367 2.189 20 5 CEBDLO C[N@@H+](CC(=O)NCC(C)(C)C)Cc1ccccc1[N+](=O)[O-] ZINC000599257988 346485531 /nfs/dbraw/zinc/48/55/31/346485531.db2.gz BICLBIPGMDRYNS-UHFFFAOYSA-N 1 2 293.367 2.189 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@H]2CCC[C@H]21 ZINC000610762632 347712193 /nfs/dbraw/zinc/71/21/93/347712193.db2.gz IBQHQEMXCWIIKB-BXUZGUMPSA-N 1 2 289.335 2.326 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@H]2CCC[C@H]21 ZINC000610762632 347712196 /nfs/dbraw/zinc/71/21/96/347712196.db2.gz IBQHQEMXCWIIKB-BXUZGUMPSA-N 1 2 289.335 2.326 20 5 CEBDLO Cc1ccc(-n2c[nH+]c(CCCO)c2)c([N+](=O)[O-])c1 ZINC000611083810 347737376 /nfs/dbraw/zinc/73/73/76/347737376.db2.gz UWDPLMWJUZUFAZ-UHFFFAOYSA-N 1 2 261.281 2.014 20 5 CEBDLO Cc1cn2c([nH+]1)CN(c1cc(C)ccc1[N+](=O)[O-])CC2 ZINC000611764295 347814590 /nfs/dbraw/zinc/81/45/90/347814590.db2.gz OERDIYITZJRZJH-UHFFFAOYSA-N 1 2 272.308 2.428 20 5 CEBDLO Cc1cn2c([nH+]1)CN(Cc1c(F)cccc1[N+](=O)[O-])CC2 ZINC000611801969 347818224 /nfs/dbraw/zinc/81/82/24/347818224.db2.gz MINJIJFDGDSZEX-UHFFFAOYSA-N 1 2 290.298 2.255 20 5 CEBDLO COc1cc(C[N@H+](C)Cc2cn[nH]c2)c([N+](=O)[O-])cc1F ZINC000613381601 348035981 /nfs/dbraw/zinc/03/59/81/348035981.db2.gz FURSMMPDVCAAKU-UHFFFAOYSA-N 1 2 294.286 2.098 20 5 CEBDLO COc1cc(C[N@@H+](C)Cc2cn[nH]c2)c([N+](=O)[O-])cc1F ZINC000613381601 348035984 /nfs/dbraw/zinc/03/59/84/348035984.db2.gz FURSMMPDVCAAKU-UHFFFAOYSA-N 1 2 294.286 2.098 20 5 CEBDLO CC[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@@H](C)CO ZINC000339627794 215276638 /nfs/dbraw/zinc/27/66/38/215276638.db2.gz YCLHGQSDXLFZSM-VIFPVBQESA-N 1 2 272.732 2.451 20 5 CEBDLO CC[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@@H](C)CO ZINC000339627794 215276640 /nfs/dbraw/zinc/27/66/40/215276640.db2.gz YCLHGQSDXLFZSM-VIFPVBQESA-N 1 2 272.732 2.451 20 5 CEBDLO C[N@H+](CCn1cccn1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000111282221 186387652 /nfs/dbraw/zinc/38/76/52/186387652.db2.gz RHDOTOQCGSRGOM-UHFFFAOYSA-N 1 2 278.287 2.062 20 5 CEBDLO C[N@@H+](CCn1cccn1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000111282221 186387653 /nfs/dbraw/zinc/38/76/53/186387653.db2.gz RHDOTOQCGSRGOM-UHFFFAOYSA-N 1 2 278.287 2.062 20 5 CEBDLO C[C@H]1C[C@H](O)C[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000452068269 283176626 /nfs/dbraw/zinc/17/66/26/283176626.db2.gz KARZAMCOHKPURZ-WPRPVWTQSA-N 1 2 286.278 2.076 20 5 CEBDLO C[C@H]1C[C@H](O)C[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000452068269 283176629 /nfs/dbraw/zinc/17/66/29/283176629.db2.gz KARZAMCOHKPURZ-WPRPVWTQSA-N 1 2 286.278 2.076 20 5 CEBDLO CC(C)c1nnc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)[nH]1 ZINC000294875351 199225817 /nfs/dbraw/zinc/22/58/17/199225817.db2.gz VBZQWLOGZIXCTN-UHFFFAOYSA-N 1 2 275.312 2.126 20 5 CEBDLO C[C@H]1OCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H]1C ZINC000282653591 291205814 /nfs/dbraw/zinc/20/58/14/291205814.db2.gz CNUKSZMWNWQPRN-NXEZZACHSA-N 1 2 268.288 2.343 20 5 CEBDLO C[C@H]1OCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H]1C ZINC000282653591 291205815 /nfs/dbraw/zinc/20/58/15/291205815.db2.gz CNUKSZMWNWQPRN-NXEZZACHSA-N 1 2 268.288 2.343 20 5 CEBDLO C[C@]1([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000339082845 366645621 /nfs/dbraw/zinc/64/56/21/366645621.db2.gz KPUYFJLCZNRCLV-CABCVRRESA-N 1 2 292.335 2.348 20 5 CEBDLO CCOC(=O)C[C@H](C)[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339085436 366647175 /nfs/dbraw/zinc/64/71/75/366647175.db2.gz WNKIULBUPAHVPN-JTQLQIEISA-N 1 2 296.323 2.074 20 5 CEBDLO CCOC(=O)C[C@H](C)[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339085436 366647178 /nfs/dbraw/zinc/64/71/78/366647178.db2.gz WNKIULBUPAHVPN-JTQLQIEISA-N 1 2 296.323 2.074 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(NC[C@@H](C)[NH+]2CCOCC2)c1 ZINC000301564499 201070578 /nfs/dbraw/zinc/07/05/78/201070578.db2.gz LRNZJQIPVHSMQZ-GFCCVEGCSA-N 1 2 279.340 2.036 20 5 CEBDLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000154789255 366789626 /nfs/dbraw/zinc/78/96/26/366789626.db2.gz FJANVQWVKQQACX-CYBMUJFWSA-N 1 2 291.351 2.004 20 5 CEBDLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000154789255 366789634 /nfs/dbraw/zinc/78/96/34/366789634.db2.gz FJANVQWVKQQACX-CYBMUJFWSA-N 1 2 291.351 2.004 20 5 CEBDLO CC(C)n1ncnc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000088589556 363909724 /nfs/dbraw/zinc/90/97/24/363909724.db2.gz PQKOQGGDTCSXLG-UHFFFAOYSA-N 1 2 275.312 2.057 20 5 CEBDLO Cc1cc(-c2nc(Cc3c[nH+]cn3C)no2)ccc1[N+](=O)[O-] ZINC000357947389 370847942 /nfs/dbraw/zinc/84/79/42/370847942.db2.gz LOWAOKGWABPUBE-UHFFFAOYSA-N 1 2 299.290 2.278 20 5 CEBDLO CCC[C@]1(C)C(=O)NCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000187294384 284046914 /nfs/dbraw/zinc/04/69/14/284046914.db2.gz DXVOMFZLUHTJKD-OAHLLOKOSA-N 1 2 291.351 2.085 20 5 CEBDLO CCC[C@]1(C)C(=O)NCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000187294384 284046915 /nfs/dbraw/zinc/04/69/15/284046915.db2.gz DXVOMFZLUHTJKD-OAHLLOKOSA-N 1 2 291.351 2.085 20 5 CEBDLO COc1ccc(C[NH2+][C@@H](C)c2ccon2)cc1[N+](=O)[O-] ZINC000349237472 369274490 /nfs/dbraw/zinc/27/44/90/369274490.db2.gz IXGAQZZCKYELFJ-VIFPVBQESA-N 1 2 277.280 2.442 20 5 CEBDLO Cc1ccc(C[N@H+]2CC[C@H](C)[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000349386373 369317633 /nfs/dbraw/zinc/31/76/33/369317633.db2.gz SDYFLFVLYZJIAA-FZMZJTMJSA-N 1 2 264.325 2.106 20 5 CEBDLO Cc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000349386373 369317637 /nfs/dbraw/zinc/31/76/37/369317637.db2.gz SDYFLFVLYZJIAA-FZMZJTMJSA-N 1 2 264.325 2.106 20 5 CEBDLO Nc1ccc([N+](=O)[O-])c(N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000193486927 369947053 /nfs/dbraw/zinc/94/70/53/369947053.db2.gz YTZNJTCLFMWPNG-GFCCVEGCSA-N 1 2 299.334 2.263 20 5 CEBDLO Cc1c(C[NH2+][C@H](C(N)=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000359018131 371303924 /nfs/dbraw/zinc/30/39/24/371303924.db2.gz XEYJIWGDPOSAFO-HNNXBMFYSA-N 1 2 299.330 2.219 20 5 CEBDLO CC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000361592894 371961761 /nfs/dbraw/zinc/96/17/61/371961761.db2.gz DEOLGLADJHTJJQ-SNVBAGLBSA-N 1 2 268.288 2.345 20 5 CEBDLO CC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000361592894 371961765 /nfs/dbraw/zinc/96/17/65/371961765.db2.gz DEOLGLADJHTJJQ-SNVBAGLBSA-N 1 2 268.288 2.345 20 5 CEBDLO CN(Cc1cn2c([nH+]1)CCCC2)c1ccc([N+](=O)[O-])cn1 ZINC000365485653 372871881 /nfs/dbraw/zinc/87/18/81/372871881.db2.gz VRFWAGBBWACNBT-UHFFFAOYSA-N 1 2 287.323 2.159 20 5 CEBDLO Cn1ccnc1[C@@H]([NH2+]C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000272570876 373557978 /nfs/dbraw/zinc/55/79/78/373557978.db2.gz VXNUZKVIJVOZSO-ZDUSSCGKSA-N 1 2 272.308 2.170 20 5 CEBDLO Cc1c(C[N@H+]2CC[C@@H](C)[S@](=O)CC2)cccc1[N+](=O)[O-] ZINC000277254730 374454183 /nfs/dbraw/zinc/45/41/83/374454183.db2.gz QLWYBMOAFVREON-BIBXISHDSA-N 1 2 296.392 2.246 20 5 CEBDLO Cc1c(C[N@@H+]2CC[C@@H](C)[S@](=O)CC2)cccc1[N+](=O)[O-] ZINC000277254730 374454189 /nfs/dbraw/zinc/45/41/89/374454189.db2.gz QLWYBMOAFVREON-BIBXISHDSA-N 1 2 296.392 2.246 20 5 CEBDLO Cc1c(C[N@H+]2CC[C@H](C)[S@@](=O)CC2)cccc1[N+](=O)[O-] ZINC000277254738 374454435 /nfs/dbraw/zinc/45/44/35/374454435.db2.gz QLWYBMOAFVREON-YBTHPKLGSA-N 1 2 296.392 2.246 20 5 CEBDLO Cc1c(C[N@@H+]2CC[C@H](C)[S@@](=O)CC2)cccc1[N+](=O)[O-] ZINC000277254738 374454441 /nfs/dbraw/zinc/45/44/41/374454441.db2.gz QLWYBMOAFVREON-YBTHPKLGSA-N 1 2 296.392 2.246 20 5 CEBDLO CN(Cc1[nH+]ccn1C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000283978392 375789550 /nfs/dbraw/zinc/78/95/50/375789550.db2.gz JCTWVOZNEJYVRY-UHFFFAOYSA-N 1 2 296.277 2.239 20 5 CEBDLO CC1=CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000330482929 377155852 /nfs/dbraw/zinc/15/58/52/377155852.db2.gz YISDMICZPBBRDM-UHFFFAOYSA-N 1 2 289.335 2.210 20 5 CEBDLO CC1=CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000330482929 377155860 /nfs/dbraw/zinc/15/58/60/377155860.db2.gz YISDMICZPBBRDM-UHFFFAOYSA-N 1 2 289.335 2.210 20 5 CEBDLO O=C(C[NH+]1CCC(CF)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000295225355 378058950 /nfs/dbraw/zinc/05/89/50/378058950.db2.gz YIJMVUZOWKTWIH-UHFFFAOYSA-N 1 2 295.314 2.215 20 5 CEBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cnns1 ZINC000295433516 378154970 /nfs/dbraw/zinc/15/49/70/378154970.db2.gz ZGJDINMSZZRNFD-UHFFFAOYSA-N 1 2 278.337 2.121 20 5 CEBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cnns1 ZINC000295433516 378154976 /nfs/dbraw/zinc/15/49/76/378154976.db2.gz ZGJDINMSZZRNFD-UHFFFAOYSA-N 1 2 278.337 2.121 20 5 CEBDLO CC(C)[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000296535389 378567086 /nfs/dbraw/zinc/56/70/86/378567086.db2.gz DMZGTFAPPNQNSS-LLVKDONJSA-N 1 2 282.344 2.059 20 5 CEBDLO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000299695630 379109632 /nfs/dbraw/zinc/10/96/32/379109632.db2.gz YAAQUGUVLLIYMZ-JTQLQIEISA-N 1 2 289.295 2.013 20 5 CEBDLO C[C@@H]1C[C@H](NC(=O)c2csc([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000456397457 379424497 /nfs/dbraw/zinc/42/44/97/379424497.db2.gz TWDWNSXVRRKDIC-APPZFPTMSA-N 1 2 292.320 2.289 20 5 CEBDLO Cc1nocc1C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000552050941 380678907 /nfs/dbraw/zinc/67/89/07/380678907.db2.gz GJYHBIGEYSFHKU-UHFFFAOYSA-N 1 2 273.292 2.450 20 5 CEBDLO Cc1nocc1C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000552050941 380678918 /nfs/dbraw/zinc/67/89/18/380678918.db2.gz GJYHBIGEYSFHKU-UHFFFAOYSA-N 1 2 273.292 2.450 20 5 CEBDLO C[C@H](NC(=O)CCc1[nH]cc[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000279266164 194358976 /nfs/dbraw/zinc/35/89/76/194358976.db2.gz VQTBBGQTRMYILK-JTQLQIEISA-N 1 2 288.307 2.128 20 5 CEBDLO Cn1cc[nH+]c1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000349162479 218816429 /nfs/dbraw/zinc/81/64/29/218816429.db2.gz WUPDLAVWIRMRAE-UHFFFAOYSA-N 1 2 283.291 2.240 20 5 CEBDLO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)[C@@H](C)C1 ZINC000288470079 197087106 /nfs/dbraw/zinc/08/71/06/197087106.db2.gz ORRFXFOERXBUFE-VIFPVBQESA-N 1 2 297.380 2.131 20 5 CEBDLO CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)[C@@H](C)C1 ZINC000288470079 197087107 /nfs/dbraw/zinc/08/71/07/197087107.db2.gz ORRFXFOERXBUFE-VIFPVBQESA-N 1 2 297.380 2.131 20 5 CEBDLO C[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC2(CCC2)O1 ZINC000517738567 260000699 /nfs/dbraw/zinc/00/06/99/260000699.db2.gz VYXADICKAMIOKS-LLVKDONJSA-N 1 2 292.335 2.444 20 5 CEBDLO C[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC2(CCC2)O1 ZINC000517738567 260000701 /nfs/dbraw/zinc/00/07/01/260000701.db2.gz VYXADICKAMIOKS-LLVKDONJSA-N 1 2 292.335 2.444 20 5 CEBDLO C[C@H]([NH2+]Cc1ncnn1CCF)c1ccccc1[N+](=O)[O-] ZINC000281750836 195365602 /nfs/dbraw/zinc/36/56/02/195365602.db2.gz XXFCABOBOFKYCY-JTQLQIEISA-N 1 2 293.302 2.007 20 5 CEBDLO CC(C)(CNc1sccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000301929223 394469042 /nfs/dbraw/zinc/46/90/42/394469042.db2.gz JHHAREUHUWBFNT-UHFFFAOYSA-N 1 2 285.369 2.179 20 5 CEBDLO CC[C@H](Nc1ncc([N+](=O)[O-])cc1F)c1[nH]cc[nH+]1 ZINC000413245299 394511887 /nfs/dbraw/zinc/51/18/87/394511887.db2.gz JKQPPBVZXRWAPP-VIFPVBQESA-N 1 2 265.248 2.415 20 5 CEBDLO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000072953460 394602205 /nfs/dbraw/zinc/60/22/05/394602205.db2.gz RRWFQELHDPMZFQ-LLVKDONJSA-N 1 2 297.318 2.488 20 5 CEBDLO CC1(O)CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000286499736 395023132 /nfs/dbraw/zinc/02/31/32/395023132.db2.gz RCIIPCFZFKFOPT-UHFFFAOYSA-N 1 2 286.278 2.220 20 5 CEBDLO CC[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1COC1 ZINC000451286873 395603245 /nfs/dbraw/zinc/60/32/45/395603245.db2.gz QAFRGEBQNXLORJ-UHFFFAOYSA-N 1 2 270.716 2.469 20 5 CEBDLO CC[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1COC1 ZINC000451286873 395603247 /nfs/dbraw/zinc/60/32/47/395603247.db2.gz QAFRGEBQNXLORJ-UHFFFAOYSA-N 1 2 270.716 2.469 20 5 CEBDLO CCc1ncc(C[NH2+]Cc2csc([N+](=O)[O-])c2)o1 ZINC000449607667 395557362 /nfs/dbraw/zinc/55/73/62/395557362.db2.gz BYKGOKQQRNBHLM-UHFFFAOYSA-N 1 2 267.310 2.497 20 5 CEBDLO C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])s2)c2[nH+]ccn21 ZINC000450836883 395578806 /nfs/dbraw/zinc/57/88/06/395578806.db2.gz ZRCBENVVLYTWSK-BQBZGAKWSA-N 1 2 265.298 2.366 20 5 CEBDLO Cn1cnc([N+](=O)[O-])c1NCc1cccc(-n2cc[nH+]c2)c1 ZINC000360339065 155274961 /nfs/dbraw/zinc/27/49/61/155274961.db2.gz XAGBJVBPMNBCTE-UHFFFAOYSA-N 1 2 298.306 2.126 20 5 CEBDLO O=[N+]([O-])c1cnc(NCCc2cn3ccccc3[nH+]2)s1 ZINC000190312320 153122363 /nfs/dbraw/zinc/12/23/63/153122363.db2.gz CIPRVNGWZDGKDI-UHFFFAOYSA-N 1 2 289.320 2.354 20 5 CEBDLO Cn1cc[nH+]c1CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000227889862 153355141 /nfs/dbraw/zinc/35/51/41/153355141.db2.gz JAEIFYHOSQSARG-UHFFFAOYSA-N 1 2 268.223 2.219 20 5 CEBDLO CCn1ncnc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000359062907 154870369 /nfs/dbraw/zinc/87/03/69/154870369.db2.gz AOECIGDZAXVKET-JTQLQIEISA-N 1 2 275.312 2.057 20 5 CEBDLO C[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCC1=O ZINC000168894287 162369124 /nfs/dbraw/zinc/36/91/24/162369124.db2.gz INYVEIFCOPWFJY-NSHDSACASA-N 1 2 262.309 2.048 20 5 CEBDLO C[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCC1=O ZINC000168894287 162369122 /nfs/dbraw/zinc/36/91/22/162369122.db2.gz INYVEIFCOPWFJY-NSHDSACASA-N 1 2 262.309 2.048 20 5 CEBDLO C[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCC1=O ZINC000168894190 162369238 /nfs/dbraw/zinc/36/92/38/162369238.db2.gz INYVEIFCOPWFJY-LLVKDONJSA-N 1 2 262.309 2.048 20 5 CEBDLO C[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCC1=O ZINC000168894190 162369240 /nfs/dbraw/zinc/36/92/40/162369240.db2.gz INYVEIFCOPWFJY-LLVKDONJSA-N 1 2 262.309 2.048 20 5 CEBDLO C[N@H+](CCCCCO)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285179687 196214911 /nfs/dbraw/zinc/21/49/11/196214911.db2.gz DDSKOTDNCYCDAQ-UHFFFAOYSA-N 1 2 288.294 2.467 20 5 CEBDLO C[N@@H+](CCCCCO)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285179687 196214912 /nfs/dbraw/zinc/21/49/12/196214912.db2.gz DDSKOTDNCYCDAQ-UHFFFAOYSA-N 1 2 288.294 2.467 20 5 CEBDLO C[C@H](O)[C@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285288593 196241126 /nfs/dbraw/zinc/24/11/26/196241126.db2.gz BARHLBRRMQCYPC-IUCAKERBSA-N 1 2 286.278 2.076 20 5 CEBDLO C[C@H](O)[C@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285288593 196241128 /nfs/dbraw/zinc/24/11/28/196241128.db2.gz BARHLBRRMQCYPC-IUCAKERBSA-N 1 2 286.278 2.076 20 5 CEBDLO O=[N+]([O-])c1cccc(C[NH+]2CC(O)(c3ccccc3)C2)c1 ZINC000285768314 196393432 /nfs/dbraw/zinc/39/34/32/196393432.db2.gz RWFIOIRJUGUJGN-UHFFFAOYSA-N 1 2 284.315 2.298 20 5 CEBDLO Cc1noc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000038034314 174032899 /nfs/dbraw/zinc/03/28/99/174032899.db2.gz ZZXCUNBVLSPGEB-MRVPVSSYSA-N 1 2 262.269 2.137 20 5 CEBDLO CCN(CC)C(=O)[C@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192643211 270279068 /nfs/dbraw/zinc/27/90/68/270279068.db2.gz AEQWEHVKCFSTCP-LBPRGKRZSA-N 1 2 293.367 2.284 20 5 CEBDLO CCN(CC)C(=O)[C@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192643211 270279069 /nfs/dbraw/zinc/27/90/69/270279069.db2.gz AEQWEHVKCFSTCP-LBPRGKRZSA-N 1 2 293.367 2.284 20 5 CEBDLO CC(=O)N1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182628384 278043859 /nfs/dbraw/zinc/04/38/59/278043859.db2.gz URPTXFRDPPPJCF-LBPRGKRZSA-N 1 2 291.351 2.128 20 5 CEBDLO O=[N+]([O-])c1ccc(OC2C[NH+](CC3=CCCOC3)C2)cc1 ZINC000459624409 290198954 /nfs/dbraw/zinc/19/89/54/290198954.db2.gz UTRKWGFREISJCL-UHFFFAOYSA-N 1 2 290.319 2.005 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(NCC[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000532296883 298139049 /nfs/dbraw/zinc/13/90/49/298139049.db2.gz RLVSXDGXKWQDMQ-LBPRGKRZSA-N 1 2 279.340 2.036 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(NCC[N@H+]2CCO[C@@H](C)C2)c1 ZINC000532296883 298139051 /nfs/dbraw/zinc/13/90/51/298139051.db2.gz RLVSXDGXKWQDMQ-LBPRGKRZSA-N 1 2 279.340 2.036 20 5 CEBDLO COc1cc(C[NH2+][C@H](C)c2nnc(C)o2)ccc1[N+](=O)[O-] ZINC000543543678 298312066 /nfs/dbraw/zinc/31/20/66/298312066.db2.gz IFZVCYYJVNBKFD-MRVPVSSYSA-N 1 2 292.295 2.146 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1[C@H](C)C[C@H]1C ZINC000548425479 298410388 /nfs/dbraw/zinc/41/03/88/298410388.db2.gz LTQUOJDTIUWAPU-GHMZBOCLSA-N 1 2 277.324 2.324 20 5 CEBDLO Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cn2C)c(C)[nH+]1 ZINC000531512042 313328052 /nfs/dbraw/zinc/32/80/52/313328052.db2.gz OKKAHBQFBLXQMK-UHFFFAOYSA-N 1 2 274.280 2.197 20 5 CEBDLO C[C@H](NC(=O)C[NH+]1CC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000570875840 314062854 /nfs/dbraw/zinc/06/28/54/314062854.db2.gz YACVCVKJZJTJQQ-NSHDSACASA-N 1 2 291.351 2.114 20 5 CEBDLO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cscn3)CC2)n1 ZINC000365852602 527406652 /nfs/dbraw/zinc/40/66/52/527406652.db2.gz AMTKZIYYTLZWJW-UHFFFAOYSA-N 1 2 293.352 2.085 20 5 CEBDLO Cn1cc[nH+]c1CNc1c(F)cccc1[N+](=O)[O-] ZINC000156438639 527437395 /nfs/dbraw/zinc/43/73/95/527437395.db2.gz MIDZNPZHVUACDG-UHFFFAOYSA-N 1 2 250.233 2.080 20 5 CEBDLO CC[C@@H](c1ccncc1)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000354833840 529260001 /nfs/dbraw/zinc/26/00/01/529260001.db2.gz UAQAMDPYAMWUJH-LBPRGKRZSA-N 1 2 289.339 2.306 20 5 CEBDLO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000354833840 529260004 /nfs/dbraw/zinc/26/00/04/529260004.db2.gz UAQAMDPYAMWUJH-LBPRGKRZSA-N 1 2 289.339 2.306 20 5 CEBDLO C[N@@H+]1CCCC[C@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1F ZINC000746984482 575165968 /nfs/dbraw/zinc/16/59/68/575165968.db2.gz OEUPPRDXOOCBIW-ZDUSSCGKSA-N 1 2 296.298 2.261 20 5 CEBDLO C[N@H+]1CCCC[C@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1F ZINC000746984482 575165969 /nfs/dbraw/zinc/16/59/69/575165969.db2.gz OEUPPRDXOOCBIW-ZDUSSCGKSA-N 1 2 296.298 2.261 20 5 CEBDLO O=C(CCCn1cc[nH+]c1)Oc1cccc([N+](=O)[O-])c1 ZINC000748598011 575190733 /nfs/dbraw/zinc/19/07/33/575190733.db2.gz NBVCOVXVTJWBET-UHFFFAOYSA-N 1 2 275.264 2.177 20 5 CEBDLO COC(=O)[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000933173269 623525726 /nfs/dbraw/zinc/52/57/26/623525726.db2.gz YIUNQFJOVPAPAT-MWLCHTKSSA-N 1 2 298.364 2.430 20 5 CEBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000933173269 623525730 /nfs/dbraw/zinc/52/57/30/623525730.db2.gz YIUNQFJOVPAPAT-MWLCHTKSSA-N 1 2 298.364 2.430 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H](CCO)C1CCCC1 ZINC000934009898 624160157 /nfs/dbraw/zinc/16/01/57/624160157.db2.gz OUBCTCSZWWPVNC-CQSZACIVSA-N 1 2 294.351 2.331 20 5 CEBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)c1 ZINC000782616069 627294167 /nfs/dbraw/zinc/29/41/67/627294167.db2.gz LTLYQFJYXBASKX-GXFFZTMASA-N 1 2 282.727 2.062 20 5 CEBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)c1 ZINC000782616069 627294170 /nfs/dbraw/zinc/29/41/70/627294170.db2.gz LTLYQFJYXBASKX-GXFFZTMASA-N 1 2 282.727 2.062 20 5 CEBDLO CSCC1CC[NH+](Cn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000902391079 634631864 /nfs/dbraw/zinc/63/18/64/634631864.db2.gz STRRJZKBOOXUMK-UHFFFAOYSA-N 1 2 298.412 2.441 20 5 CEBDLO CCC(=O)c1ccc(NC[C@@H]2CC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000895771324 630339809 /nfs/dbraw/zinc/33/98/09/630339809.db2.gz XYJUMSSZCMMYID-NSHDSACASA-N 1 2 277.324 2.304 20 5 CEBDLO CCC(=O)c1ccc(NC[C@@H]2CC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000895771324 630339813 /nfs/dbraw/zinc/33/98/13/630339813.db2.gz XYJUMSSZCMMYID-NSHDSACASA-N 1 2 277.324 2.304 20 5 CEBDLO CC[C@@H](C[NH+]1CCOCC1)Nc1ccc([N+](=O)[O-])s1 ZINC000895805961 630356149 /nfs/dbraw/zinc/35/61/49/630356149.db2.gz YGGOEJBAXKKOGS-JTQLQIEISA-N 1 2 285.369 2.179 20 5 CEBDLO CC[C@@H](NC(=O)Cc1[nH]cc[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000816944259 633489249 /nfs/dbraw/zinc/48/92/49/633489249.db2.gz WRGPZVUVWZWPQH-GFCCVEGCSA-N 1 2 288.307 2.128 20 5 CEBDLO Cn1nc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cc1C1CC1 ZINC000922955710 643478541 /nfs/dbraw/zinc/47/85/41/643478541.db2.gz VQMPDQBPGTZYPO-UHFFFAOYSA-N 1 2 286.335 2.496 20 5 CEBDLO Cc1cc(C(=O)OCCc2c[nH+]cn2C)cc([N+](=O)[O-])c1 ZINC000793251383 648731147 /nfs/dbraw/zinc/73/11/47/648731147.db2.gz DLKQIRXAHBZTFZ-UHFFFAOYSA-N 1 2 289.291 2.036 20 5 CEBDLO Nc1cnc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cn1 ZINC000873203130 649587408 /nfs/dbraw/zinc/58/74/08/649587408.db2.gz QPNKSYWFEQWHOM-UHFFFAOYSA-N 1 2 299.334 2.132 20 5 CEBDLO Nc1cnc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cn1 ZINC000873203130 649587411 /nfs/dbraw/zinc/58/74/11/649587411.db2.gz QPNKSYWFEQWHOM-UHFFFAOYSA-N 1 2 299.334 2.132 20 5 CEBDLO COc1cccc([N+](=O)[O-])c1OC1C[NH+](C(C)(C)C)C1 ZINC001227698880 805966253 /nfs/dbraw/zinc/96/62/53/805966253.db2.gz YSVABNCYBRPDIN-UHFFFAOYSA-N 1 2 280.324 2.465 20 5 CEBDLO C[C@@H]1CC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1(F)F ZINC001169014397 811335635 /nfs/dbraw/zinc/33/56/35/811335635.db2.gz ZBIOLOLHYWOPHP-VWYCJHECSA-N 1 2 262.300 2.409 20 5 CEBDLO C[C@@H]1CC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1(F)F ZINC001169014397 811335644 /nfs/dbraw/zinc/33/56/44/811335644.db2.gz ZBIOLOLHYWOPHP-VWYCJHECSA-N 1 2 262.300 2.409 20 5 CEBDLO CCN(CCn1cc[nH+]c1)c1nccc(C)c1[N+](=O)[O-] ZINC001157460603 812163046 /nfs/dbraw/zinc/16/30/46/812163046.db2.gz XLKCCQOJSOQIEQ-UHFFFAOYSA-N 1 2 275.312 2.021 20 5 CEBDLO COc1ccc(C[C@H](C)[N@H+]2C=C(N)C=CC2)c([N+](=O)[O-])c1 ZINC001170317895 812386149 /nfs/dbraw/zinc/38/61/49/812386149.db2.gz LTFCIDXQMNBWSN-NSHDSACASA-N 1 2 289.335 2.206 20 5 CEBDLO COc1ccc(C[C@H](C)[N@@H+]2C=C(N)C=CC2)c([N+](=O)[O-])c1 ZINC001170317895 812386157 /nfs/dbraw/zinc/38/61/57/812386157.db2.gz LTFCIDXQMNBWSN-NSHDSACASA-N 1 2 289.335 2.206 20 5 CEBDLO Nc1ccc2n(-c3[nH]cc[nH+]3)c3ccccc3cc-2c1=O ZINC001176085021 816337918 /nfs/dbraw/zinc/33/79/18/816337918.db2.gz BRMLUTJCBNZCBB-UHFFFAOYSA-N 1 2 276.299 2.401 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1NC[C@@H](C)[NH+]1CCOCC1 ZINC000080553769 344013759 /nfs/dbraw/zinc/01/37/59/344013759.db2.gz RZZVVPUHFDNHDF-GFCCVEGCSA-N 1 2 279.340 2.036 20 5 CEBDLO C[C@H]1COCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449383467 282208293 /nfs/dbraw/zinc/20/82/93/282208293.db2.gz HMARWGRTUPIJJM-RNZFLTOJSA-N 1 2 262.309 2.329 20 5 CEBDLO C[C@H]1COCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449383467 282208296 /nfs/dbraw/zinc/20/82/96/282208296.db2.gz HMARWGRTUPIJJM-RNZFLTOJSA-N 1 2 262.309 2.329 20 5 CEBDLO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000045752004 343487324 /nfs/dbraw/zinc/48/73/24/343487324.db2.gz ATTUJLIDPLSHMI-CYBMUJFWSA-N 1 2 250.298 2.206 20 5 CEBDLO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000045752004 343487328 /nfs/dbraw/zinc/48/73/28/343487328.db2.gz ATTUJLIDPLSHMI-CYBMUJFWSA-N 1 2 250.298 2.206 20 5 CEBDLO Cn1cnc([N+](=O)[O-])c1Oc1cccc(-n2cc[nH+]c2)c1 ZINC000077982001 343937806 /nfs/dbraw/zinc/93/78/06/343937806.db2.gz VJGUZUHBMGSBIF-UHFFFAOYSA-N 1 2 285.263 2.306 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCOC2(CCCC2)C1 ZINC000093588798 344227510 /nfs/dbraw/zinc/22/75/10/344227510.db2.gz HQNLIZOJSOOJGJ-UHFFFAOYSA-N 1 2 292.335 2.445 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCOC2(CCCC2)C1 ZINC000093588798 344227512 /nfs/dbraw/zinc/22/75/12/344227512.db2.gz HQNLIZOJSOOJGJ-UHFFFAOYSA-N 1 2 292.335 2.445 20 5 CEBDLO Nc1ccc(CNc2c(Cl)cncc2[N+](=O)[O-])c[nH+]1 ZINC000308393923 344727364 /nfs/dbraw/zinc/72/73/64/344727364.db2.gz TVRFHNPFXFPXLM-UHFFFAOYSA-N 1 2 279.687 2.233 20 5 CEBDLO CCn1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000404478116 344880510 /nfs/dbraw/zinc/88/05/10/344880510.db2.gz ZIDLWMPFFVLWGJ-SNVBAGLBSA-N 1 2 275.312 2.057 20 5 CEBDLO Cc1ccc(Cn2cc([N+](=O)[O-])c(C3CC3)n2)c[nH+]1 ZINC000594448366 345633526 /nfs/dbraw/zinc/63/35/26/345633526.db2.gz HVYKXXNGSJXQNJ-UHFFFAOYSA-N 1 2 258.281 2.420 20 5 CEBDLO CC[C@@H]1C[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C[C@H](CC)O1 ZINC000595549910 345809694 /nfs/dbraw/zinc/80/96/94/345809694.db2.gz FTZOWQMTOQDRJO-PHIMTYICSA-N 1 2 283.328 2.281 20 5 CEBDLO CC[C@@H]1C[N@H+](Cc2onc(C)c2[N+](=O)[O-])C[C@H](CC)O1 ZINC000595549910 345809698 /nfs/dbraw/zinc/80/96/98/345809698.db2.gz FTZOWQMTOQDRJO-PHIMTYICSA-N 1 2 283.328 2.281 20 5 CEBDLO C[C@H]1COCCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595388012 345772025 /nfs/dbraw/zinc/77/20/25/345772025.db2.gz SAIYNLQTHFHOLM-JTQLQIEISA-N 1 2 268.288 2.345 20 5 CEBDLO C[C@H]1COCCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595388012 345772026 /nfs/dbraw/zinc/77/20/26/345772026.db2.gz SAIYNLQTHFHOLM-JTQLQIEISA-N 1 2 268.288 2.345 20 5 CEBDLO Cc1noc(C[NH+]2CCC(c3ccon3)CC2)c1[N+](=O)[O-] ZINC000595828350 345887518 /nfs/dbraw/zinc/88/75/18/345887518.db2.gz LDBJFEJFXWYXNN-UHFFFAOYSA-N 1 2 292.295 2.259 20 5 CEBDLO Cc1cn2c([nH+]1)CN(c1cc(C)sc1[N+](=O)[O-])CC2 ZINC000596190248 345965598 /nfs/dbraw/zinc/96/55/98/345965598.db2.gz PTZZTRIPZFRPHY-UHFFFAOYSA-N 1 2 278.337 2.490 20 5 CEBDLO Cc1cc(NCC[N@H+]2CCOC[C@@H]2C)c([N+](=O)[O-])s1 ZINC000596112638 345942586 /nfs/dbraw/zinc/94/25/86/345942586.db2.gz CNQRSWNSGJXKHS-VIFPVBQESA-N 1 2 285.369 2.097 20 5 CEBDLO Cc1cc(NCC[N@@H+]2CCOC[C@@H]2C)c([N+](=O)[O-])s1 ZINC000596112638 345942587 /nfs/dbraw/zinc/94/25/87/345942587.db2.gz CNQRSWNSGJXKHS-VIFPVBQESA-N 1 2 285.369 2.097 20 5 CEBDLO C[C@@H]1C[N@H+](CCNc2sccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000596426520 346020350 /nfs/dbraw/zinc/02/03/50/346020350.db2.gz BKNPTJMCZZNLQS-VHSXEESVSA-N 1 2 285.369 2.177 20 5 CEBDLO C[C@@H]1C[N@@H+](CCNc2sccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000596426520 346020353 /nfs/dbraw/zinc/02/03/53/346020353.db2.gz BKNPTJMCZZNLQS-VHSXEESVSA-N 1 2 285.369 2.177 20 5 CEBDLO C[C@H]1C[N@H+](CCNc2ccc([N+](=O)[O-])cc2F)[C@@H](C)CO1 ZINC000596428827 346021385 /nfs/dbraw/zinc/02/13/85/346021385.db2.gz IKPOHLNATXYGCX-QWRGUYRKSA-N 1 2 297.330 2.255 20 5 CEBDLO C[C@H]1C[N@@H+](CCNc2ccc([N+](=O)[O-])cc2F)[C@@H](C)CO1 ZINC000596428827 346021389 /nfs/dbraw/zinc/02/13/89/346021389.db2.gz IKPOHLNATXYGCX-QWRGUYRKSA-N 1 2 297.330 2.255 20 5 CEBDLO Cc1cc(NCC[N@H+]2C[C@H](C)OC[C@@H]2C)c([N+](=O)[O-])s1 ZINC000596433992 346022597 /nfs/dbraw/zinc/02/25/97/346022597.db2.gz WCNXOMWLJMVEGM-UWVGGRQHSA-N 1 2 299.396 2.486 20 5 CEBDLO Cc1cc(NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)c([N+](=O)[O-])s1 ZINC000596433992 346022601 /nfs/dbraw/zinc/02/26/01/346022601.db2.gz WCNXOMWLJMVEGM-UWVGGRQHSA-N 1 2 299.396 2.486 20 5 CEBDLO COCCC1C[NH+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000597184388 346143378 /nfs/dbraw/zinc/14/33/78/346143378.db2.gz ULBLTJSOMPNBGY-UHFFFAOYSA-N 1 2 256.327 2.125 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2[nH+]ccn2C)c1 ZINC000598464748 346360838 /nfs/dbraw/zinc/36/08/38/346360838.db2.gz MKJCOUKGTNAZSM-SNVBAGLBSA-N 1 2 288.307 2.128 20 5 CEBDLO COCC(COC)Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599082458 346457349 /nfs/dbraw/zinc/45/73/49/346457349.db2.gz CLVONKSSBLXYLY-UHFFFAOYSA-N 1 2 291.307 2.216 20 5 CEBDLO CCOC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)CCO1 ZINC000600201706 346621411 /nfs/dbraw/zinc/62/14/11/346621411.db2.gz VAWWNBXWIRAGFD-HNNXBMFYSA-N 1 2 294.351 2.141 20 5 CEBDLO CCOC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)CCO1 ZINC000600201706 346621413 /nfs/dbraw/zinc/62/14/13/346621413.db2.gz VAWWNBXWIRAGFD-HNNXBMFYSA-N 1 2 294.351 2.141 20 5 CEBDLO Cc1cnc(OCc2ccc(N(C)C)[nH+]c2)c([N+](=O)[O-])c1 ZINC000600538771 346651938 /nfs/dbraw/zinc/65/19/38/346651938.db2.gz WLYHXXSYURPRGG-UHFFFAOYSA-N 1 2 288.307 2.338 20 5 CEBDLO CC[C@H](CO)Nc1ccc(-c2ccc([N+](=O)[O-])nc2)c[nH+]1 ZINC000600788386 346690839 /nfs/dbraw/zinc/69/08/39/346690839.db2.gz IYRJJBSAMHMYCA-GFCCVEGCSA-N 1 2 288.307 2.235 20 5 CEBDLO O=[N+]([O-])c1cc(F)cnc1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000601115043 346757037 /nfs/dbraw/zinc/75/70/37/346757037.db2.gz YFXAJWZUKMFVLW-LLVKDONJSA-N 1 2 291.286 2.167 20 5 CEBDLO Cn1cc(C[N@@H+]2CCC[C@@H]2c2cccnc2)c([N+](=O)[O-])n1 ZINC000602659641 347128419 /nfs/dbraw/zinc/12/84/19/347128419.db2.gz PZUFGJXIUXGWKQ-CYBMUJFWSA-N 1 2 287.323 2.060 20 5 CEBDLO Cn1cc(C[N@H+]2CCC[C@@H]2c2cccnc2)c([N+](=O)[O-])n1 ZINC000602659641 347128420 /nfs/dbraw/zinc/12/84/20/347128420.db2.gz PZUFGJXIUXGWKQ-CYBMUJFWSA-N 1 2 287.323 2.060 20 5 CEBDLO Cc1[nH]c(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000339267418 215052649 /nfs/dbraw/zinc/05/26/49/215052649.db2.gz DTCJFIDKTUEWMN-UHFFFAOYSA-N 1 2 288.307 2.291 20 5 CEBDLO O=C(Nc1ccc2[nH+]ccn2c1)c1ccccc1[N+](=O)[O-] ZINC000609618942 347647355 /nfs/dbraw/zinc/64/73/55/347647355.db2.gz KPUWGVGMSAUVOG-UHFFFAOYSA-N 1 2 282.259 2.495 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(NCC[N@H+]2CCOC[C@H]2C)c1 ZINC000610677447 347701141 /nfs/dbraw/zinc/70/11/41/347701141.db2.gz JJZAEYLCQXTLCK-GFCCVEGCSA-N 1 2 279.340 2.036 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(NCC[N@@H+]2CCOC[C@H]2C)c1 ZINC000610677447 347701145 /nfs/dbraw/zinc/70/11/45/347701145.db2.gz JJZAEYLCQXTLCK-GFCCVEGCSA-N 1 2 279.340 2.036 20 5 CEBDLO C[C@H]1CCN(c2cccnc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000610726491 347706854 /nfs/dbraw/zinc/70/68/54/347706854.db2.gz XTDHZXXQLZMIFW-WCQYABFASA-N 1 2 287.323 2.274 20 5 CEBDLO Cc1cn2c([nH+]1)CN(Cc1csc([N+](=O)[O-])c1)CC2 ZINC000611801869 347818316 /nfs/dbraw/zinc/81/83/16/347818316.db2.gz FHAWTAHEZDVZET-UHFFFAOYSA-N 1 2 278.337 2.177 20 5 CEBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3nccs3)nc2c1 ZINC000618618897 348999601 /nfs/dbraw/zinc/99/96/01/348999601.db2.gz IECHPTNDBURFRB-UHFFFAOYSA-N 1 2 289.320 2.217 20 5 CEBDLO COC(=O)c1coc(C[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000130738075 365986332 /nfs/dbraw/zinc/98/63/32/365986332.db2.gz AXVZUMJLPANQNV-UHFFFAOYSA-N 1 2 290.275 2.264 20 5 CEBDLO COCc1cc([N+](=O)[O-])ccc1NCc1[nH+]ccn1C ZINC000271633710 191250746 /nfs/dbraw/zinc/25/07/46/191250746.db2.gz OGXAOGCTUAJVDW-UHFFFAOYSA-N 1 2 276.296 2.087 20 5 CEBDLO C[C@H]1COC[C@H](C)[NH+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000077367183 290981433 /nfs/dbraw/zinc/98/14/33/290981433.db2.gz BKALZQXHWPAEGR-QWRGUYRKSA-N 1 2 250.298 2.204 20 5 CEBDLO CC[C@H]1C(=O)N(CC)CC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000495193254 291023032 /nfs/dbraw/zinc/02/30/32/291023032.db2.gz JLSQGJLPSMLTPL-AWEZNQCLSA-N 1 2 291.351 2.038 20 5 CEBDLO CC[C@H]1C(=O)N(CC)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000495193254 291023033 /nfs/dbraw/zinc/02/30/33/291023033.db2.gz JLSQGJLPSMLTPL-AWEZNQCLSA-N 1 2 291.351 2.038 20 5 CEBDLO CCOc1cccc(NCc2[nH+]ccn2C)c1[N+](=O)[O-] ZINC000134918687 366372533 /nfs/dbraw/zinc/37/25/33/366372533.db2.gz CMEMFFZYAWYOGM-UHFFFAOYSA-N 1 2 276.296 2.339 20 5 CEBDLO Cc1c[nH+]ccc1NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000294496518 199062645 /nfs/dbraw/zinc/06/26/45/199062645.db2.gz FIVRRVUNYWFNME-UHFFFAOYSA-N 1 2 251.286 2.164 20 5 CEBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1ncccc1O)CC2 ZINC000577900920 366415334 /nfs/dbraw/zinc/41/53/34/366415334.db2.gz UUWUSOJHYQHRHU-UHFFFAOYSA-N 1 2 285.303 2.254 20 5 CEBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1ncccc1O)CC2 ZINC000577900920 366415339 /nfs/dbraw/zinc/41/53/39/366415339.db2.gz UUWUSOJHYQHRHU-UHFFFAOYSA-N 1 2 285.303 2.254 20 5 CEBDLO CC[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000140697286 366563132 /nfs/dbraw/zinc/56/31/32/366563132.db2.gz XHXCMDSCEBQKEB-LLVKDONJSA-N 1 2 288.307 2.128 20 5 CEBDLO COc1cc(N2CC[NH+](C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000142640626 366567346 /nfs/dbraw/zinc/56/73/46/366567346.db2.gz NTLDDLDUKYKQRC-UHFFFAOYSA-N 1 2 285.731 2.009 20 5 CEBDLO C[C@@]1(O)CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000339140385 366673619 /nfs/dbraw/zinc/67/36/19/366673619.db2.gz DGIDUEDFWWXKSB-CQSZACIVSA-N 1 2 280.324 2.037 20 5 CEBDLO C[C@@]1(O)CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000339140385 366673624 /nfs/dbraw/zinc/67/36/24/366673624.db2.gz DGIDUEDFWWXKSB-CQSZACIVSA-N 1 2 280.324 2.037 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCCCC[C@H]1CCO ZINC000339166168 366685075 /nfs/dbraw/zinc/68/50/75/366685075.db2.gz CVELXQVGPQKIJA-ZDUSSCGKSA-N 1 2 294.351 2.427 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCCCC[C@H]1CCO ZINC000339166168 366685077 /nfs/dbraw/zinc/68/50/77/366685077.db2.gz CVELXQVGPQKIJA-ZDUSSCGKSA-N 1 2 294.351 2.427 20 5 CEBDLO CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)[NH+](CC)CC ZINC000340543326 366930400 /nfs/dbraw/zinc/93/04/00/366930400.db2.gz AISHOESTFABKMZ-LBPRGKRZSA-N 1 2 295.339 2.359 20 5 CEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3C[C@@H](O)C4(CC4)C3)c2c1 ZINC000582652811 366938645 /nfs/dbraw/zinc/93/86/45/366938645.db2.gz FMNHPLNCBLBJPQ-CYBMUJFWSA-N 1 2 285.303 2.104 20 5 CEBDLO Cc1[nH]c2ccc(Cn3cnc([N+](=O)[O-])c3)cc2[nH+]1 ZINC000342690328 367485734 /nfs/dbraw/zinc/48/57/34/367485734.db2.gz XSOAZQIAZRWBNS-UHFFFAOYSA-N 1 2 257.253 2.024 20 5 CEBDLO Cc1[nH]c2cc(Cn3cnc([N+](=O)[O-])c3)ccc2[nH+]1 ZINC000342690328 367485743 /nfs/dbraw/zinc/48/57/43/367485743.db2.gz XSOAZQIAZRWBNS-UHFFFAOYSA-N 1 2 257.253 2.024 20 5 CEBDLO CCCC[N@H+](CC(N)=O)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000174820387 368070016 /nfs/dbraw/zinc/07/00/16/368070016.db2.gz MCNUWDRZGXEQNR-UHFFFAOYSA-N 1 2 299.758 2.336 20 5 CEBDLO CCCC[N@@H+](CC(N)=O)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000174820387 368070023 /nfs/dbraw/zinc/07/00/23/368070023.db2.gz MCNUWDRZGXEQNR-UHFFFAOYSA-N 1 2 299.758 2.336 20 5 CEBDLO CO[C@@H]1[C@H](C)[C@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C1(C)C ZINC000345706170 368381185 /nfs/dbraw/zinc/38/11/85/368381185.db2.gz LLAXXYOHMLGODO-BIGNPOOSSA-N 1 2 294.351 2.450 20 5 CEBDLO C[C@H]1C[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC[C@H]1O ZINC000351825278 369652674 /nfs/dbraw/zinc/65/26/74/369652674.db2.gz WZOSCQUOUWUFFL-ISVAXAHUSA-N 1 2 286.278 2.076 20 5 CEBDLO C[C@H]1C[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC[C@H]1O ZINC000351825278 369652679 /nfs/dbraw/zinc/65/26/79/369652679.db2.gz WZOSCQUOUWUFFL-ISVAXAHUSA-N 1 2 286.278 2.076 20 5 CEBDLO COC(=O)C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000355115218 370508699 /nfs/dbraw/zinc/50/86/99/370508699.db2.gz QIGNNORKOFMSNH-XQRVVYSFSA-N 1 2 290.319 2.245 20 5 CEBDLO COC(=O)C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000355115218 370508702 /nfs/dbraw/zinc/50/87/02/370508702.db2.gz QIGNNORKOFMSNH-XQRVVYSFSA-N 1 2 290.319 2.245 20 5 CEBDLO CCn1ncnc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000359062914 371323526 /nfs/dbraw/zinc/32/35/26/371323526.db2.gz AOECIGDZAXVKET-SNVBAGLBSA-N 1 2 275.312 2.057 20 5 CEBDLO COC(=O)[C@@H]1CCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255005415 371548262 /nfs/dbraw/zinc/54/82/62/371548262.db2.gz GOSGKOUFKRDZCC-ZBKLQPJUSA-N 1 2 290.319 2.245 20 5 CEBDLO COC(=O)[C@@H]1CCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255005415 371548266 /nfs/dbraw/zinc/54/82/66/371548266.db2.gz GOSGKOUFKRDZCC-ZBKLQPJUSA-N 1 2 290.319 2.245 20 5 CEBDLO COC(=O)[C@@H](C)[N@H+](C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000361193600 371706392 /nfs/dbraw/zinc/70/63/92/371706392.db2.gz HKGVOOIQHGWACC-JATZPVMKSA-N 1 2 292.335 2.491 20 5 CEBDLO COC(=O)[C@@H](C)[N@@H+](C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000361193600 371706400 /nfs/dbraw/zinc/70/64/00/371706400.db2.gz HKGVOOIQHGWACC-JATZPVMKSA-N 1 2 292.335 2.491 20 5 CEBDLO Cc1nc(NCc2cn3c([nH+]2)CCCC3)ccc1[N+](=O)[O-] ZINC000268507109 372121194 /nfs/dbraw/zinc/12/11/94/372121194.db2.gz RJEPKLWTRWRMNQ-UHFFFAOYSA-N 1 2 287.323 2.443 20 5 CEBDLO Cc1c[nH+]ccc1NC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000269340817 372422900 /nfs/dbraw/zinc/42/29/00/372422900.db2.gz HQHAJZPDTPNPFG-UHFFFAOYSA-N 1 2 289.295 2.397 20 5 CEBDLO COC(=O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000275040785 374136126 /nfs/dbraw/zinc/13/61/26/374136126.db2.gz YBDCUBLPJJKTOL-BXUZGUMPSA-N 1 2 292.335 2.368 20 5 CEBDLO COC(=O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000275040785 374136131 /nfs/dbraw/zinc/13/61/31/374136131.db2.gz YBDCUBLPJJKTOL-BXUZGUMPSA-N 1 2 292.335 2.368 20 5 CEBDLO C[C@H]1CCOCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000374981174 374638054 /nfs/dbraw/zinc/63/80/54/374638054.db2.gz QIESEBWHONFRPR-JTQLQIEISA-N 1 2 268.288 2.345 20 5 CEBDLO C[C@H]1CCOCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000374981174 374638061 /nfs/dbraw/zinc/63/80/61/374638061.db2.gz QIESEBWHONFRPR-JTQLQIEISA-N 1 2 268.288 2.345 20 5 CEBDLO CC(C)(C)n1ncnc1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000282568574 375519067 /nfs/dbraw/zinc/51/90/67/375519067.db2.gz FEXLXLAOPIJMSA-UHFFFAOYSA-N 1 2 289.339 2.231 20 5 CEBDLO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](C)Cn1cc[nH+]c1 ZINC000288062916 376369868 /nfs/dbraw/zinc/36/98/68/376369868.db2.gz GEKDUWGXCPWYRB-SNVBAGLBSA-N 1 2 292.343 2.064 20 5 CEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)[C@H]1C ZINC000293362350 377537110 /nfs/dbraw/zinc/53/71/10/377537110.db2.gz INEZMIKQTXNQTC-GMTAPVOTSA-N 1 2 277.324 2.262 20 5 CEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)[C@H]1C ZINC000293362350 377537120 /nfs/dbraw/zinc/53/71/20/377537120.db2.gz INEZMIKQTXNQTC-GMTAPVOTSA-N 1 2 277.324 2.262 20 5 CEBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]1COC ZINC000293661632 377682357 /nfs/dbraw/zinc/68/23/57/377682357.db2.gz UCMIJECOFOUMQT-ZDUSSCGKSA-N 1 2 280.324 2.214 20 5 CEBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]1COC ZINC000293661632 377682371 /nfs/dbraw/zinc/68/23/71/377682371.db2.gz UCMIJECOFOUMQT-ZDUSSCGKSA-N 1 2 280.324 2.214 20 5 CEBDLO CC(C)[NH+]1CC(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000293930230 377832230 /nfs/dbraw/zinc/83/22/30/377832230.db2.gz TYHVVCIZCZZWEO-UHFFFAOYSA-N 1 2 297.742 2.071 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1[C@H](C)C[C@@H]1C ZINC000548098288 380484484 /nfs/dbraw/zinc/48/44/84/380484484.db2.gz MJMJPBNMZXZYCG-PHIMTYICSA-N 1 2 277.324 2.324 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1[C@H](C)C[C@@H]1C ZINC000548098288 380484488 /nfs/dbraw/zinc/48/44/88/380484488.db2.gz MJMJPBNMZXZYCG-PHIMTYICSA-N 1 2 277.324 2.324 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000548285728 380495469 /nfs/dbraw/zinc/49/54/69/380495469.db2.gz VUOIRJZDDZKIRL-LBPRGKRZSA-N 1 2 279.340 2.036 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1NCC[N@H+]1CCO[C@@H](C)C1 ZINC000548285728 380495473 /nfs/dbraw/zinc/49/54/73/380495473.db2.gz VUOIRJZDDZKIRL-LBPRGKRZSA-N 1 2 279.340 2.036 20 5 CEBDLO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCc3[nH]ncc32)cc1 ZINC000375803346 285115153 /nfs/dbraw/zinc/11/51/53/285115153.db2.gz ZXYCLRWTDCYRGC-CYBMUJFWSA-N 1 2 272.308 2.485 20 5 CEBDLO Cc1c[nH+]ccc1CCNc1ncc([N+](=O)[O-])s1 ZINC000281777845 195376562 /nfs/dbraw/zinc/37/65/62/195376562.db2.gz DPQMEPBKIXBMMW-UHFFFAOYSA-N 1 2 264.310 2.409 20 5 CEBDLO CCOc1ccc(NC(=O)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000016445366 394467157 /nfs/dbraw/zinc/46/71/57/394467157.db2.gz SDRMOXUWUYOBTH-UHFFFAOYSA-N 1 2 293.323 2.028 20 5 CEBDLO COC(=O)[C@H](C)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413108448 394484101 /nfs/dbraw/zinc/48/41/01/394484101.db2.gz LZCPOMZOMTXSEJ-SECBINFHSA-N 1 2 289.291 2.364 20 5 CEBDLO CN(CC(C)(C)O)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413133219 394489812 /nfs/dbraw/zinc/48/98/12/394489812.db2.gz CSHHQIZCMMSVSJ-UHFFFAOYSA-N 1 2 275.308 2.350 20 5 CEBDLO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC(F)(F)CN ZINC000414936865 394811482 /nfs/dbraw/zinc/81/14/82/394811482.db2.gz WEOSYXULESIGIJ-JTQLQIEISA-N 1 2 287.310 2.100 20 5 CEBDLO C[C@H]1COCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000338253758 394909808 /nfs/dbraw/zinc/90/98/08/394909808.db2.gz RJMXHBLJTXBRBN-SNVBAGLBSA-N 1 2 268.288 2.202 20 5 CEBDLO C[C@H]1COCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000338253758 394909814 /nfs/dbraw/zinc/90/98/14/394909814.db2.gz RJMXHBLJTXBRBN-SNVBAGLBSA-N 1 2 268.288 2.202 20 5 CEBDLO C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C1CC(O)C1 ZINC000494639169 395129330 /nfs/dbraw/zinc/12/93/30/395129330.db2.gz UTVVGIJFFPMSBL-UHFFFAOYSA-N 1 2 270.716 2.203 20 5 CEBDLO C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C1CC(O)C1 ZINC000494639169 395129333 /nfs/dbraw/zinc/12/93/33/395129333.db2.gz UTVVGIJFFPMSBL-UHFFFAOYSA-N 1 2 270.716 2.203 20 5 CEBDLO CO[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339091991 285632811 /nfs/dbraw/zinc/63/28/11/285632811.db2.gz RAVVFUNZUGHZPD-GXTWGEPZSA-N 1 2 280.324 2.348 20 5 CEBDLO CC[C@@H]1C[C@@H]([NH+]=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)CCO1 ZINC000420629322 395393107 /nfs/dbraw/zinc/39/31/07/395393107.db2.gz GNFWMWBYBISMBG-GXSJLCMTSA-N 1 2 290.323 2.263 20 5 CEBDLO CC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448559308 395517171 /nfs/dbraw/zinc/51/71/71/395517171.db2.gz YOXXNTZTUJGWIM-JTQLQIEISA-N 1 2 288.307 2.309 20 5 CEBDLO C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])CC1(CO)CC1 ZINC000446071819 395481852 /nfs/dbraw/zinc/48/18/52/395481852.db2.gz KJYYZTFJYMNWIC-UHFFFAOYSA-N 1 2 284.743 2.453 20 5 CEBDLO C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])CC1(CO)CC1 ZINC000446071819 395481853 /nfs/dbraw/zinc/48/18/53/395481853.db2.gz KJYYZTFJYMNWIC-UHFFFAOYSA-N 1 2 284.743 2.453 20 5 CEBDLO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C1(C)C ZINC000345706172 285874217 /nfs/dbraw/zinc/87/42/17/285874217.db2.gz LLAXXYOHMLGODO-CUOATXAZSA-N 1 2 294.351 2.450 20 5 CEBDLO Cc1cc(NCC[N@H+]2CCOC[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000359886201 155158989 /nfs/dbraw/zinc/15/89/89/155158989.db2.gz ZERLBQLONPVDAK-LLVKDONJSA-N 1 2 297.330 2.175 20 5 CEBDLO Cc1cc(NCC[N@@H+]2CCOC[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000359886201 155158993 /nfs/dbraw/zinc/15/89/93/155158993.db2.gz ZERLBQLONPVDAK-LLVKDONJSA-N 1 2 297.330 2.175 20 5 CEBDLO CO[C@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000330436722 286059368 /nfs/dbraw/zinc/05/93/68/286059368.db2.gz BLBXQUZIWWBDRB-GWCFXTLKSA-N 1 2 280.324 2.300 20 5 CEBDLO CO[C@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000330436722 286059372 /nfs/dbraw/zinc/05/93/72/286059372.db2.gz BLBXQUZIWWBDRB-GWCFXTLKSA-N 1 2 280.324 2.300 20 5 CEBDLO COc1cc(C[N@@H+]2CCO[C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000352785333 154335021 /nfs/dbraw/zinc/33/50/21/154335021.db2.gz XPGQWEBFJGLKJV-HNNXBMFYSA-N 1 2 294.351 2.460 20 5 CEBDLO COc1cc(C[N@H+]2CCO[C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000352785333 154335027 /nfs/dbraw/zinc/33/50/27/154335027.db2.gz XPGQWEBFJGLKJV-HNNXBMFYSA-N 1 2 294.351 2.460 20 5 CEBDLO CCn1nc(C)c([N+](=O)[O-])c1Nc1ccc(N(C)C)[nH+]c1 ZINC000359451126 155018836 /nfs/dbraw/zinc/01/88/36/155018836.db2.gz XMSVACAUPQSXMS-UHFFFAOYSA-N 1 2 290.327 2.324 20 5 CEBDLO CC[N@H+](Cc1cn(C)nn1)Cc1cccc([N+](=O)[O-])c1C ZINC000359629037 155086305 /nfs/dbraw/zinc/08/63/05/155086305.db2.gz BJZJJBQSLWQIHQ-UHFFFAOYSA-N 1 2 289.339 2.054 20 5 CEBDLO CC[N@@H+](Cc1cn(C)nn1)Cc1cccc([N+](=O)[O-])c1C ZINC000359629037 155086310 /nfs/dbraw/zinc/08/63/10/155086310.db2.gz BJZJJBQSLWQIHQ-UHFFFAOYSA-N 1 2 289.339 2.054 20 5 CEBDLO O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000368458126 156346545 /nfs/dbraw/zinc/34/65/45/156346545.db2.gz MHLYLUAXYOTQGV-NSHDSACASA-N 1 2 286.291 2.377 20 5 CEBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2C[C@H](O)C3(CC3)C2)c1 ZINC000375315573 157076566 /nfs/dbraw/zinc/07/65/66/157076566.db2.gz SYNZFGRHXHHZRN-LBPRGKRZSA-N 1 2 282.727 2.205 20 5 CEBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2C[C@H](O)C3(CC3)C2)c1 ZINC000375315573 157076572 /nfs/dbraw/zinc/07/65/72/157076572.db2.gz SYNZFGRHXHHZRN-LBPRGKRZSA-N 1 2 282.727 2.205 20 5 CEBDLO CC[C@H]1C[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1O ZINC000285713935 196375617 /nfs/dbraw/zinc/37/56/17/196375617.db2.gz SMPVKCDVZDCHNY-SDBXPKJASA-N 1 2 286.278 2.076 20 5 CEBDLO CC[C@H]1C[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1O ZINC000285713935 196375618 /nfs/dbraw/zinc/37/56/18/196375618.db2.gz SMPVKCDVZDCHNY-SDBXPKJASA-N 1 2 286.278 2.076 20 5 CEBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](n3ccnn3)C2)cs1 ZINC000425357855 264131768 /nfs/dbraw/zinc/13/17/68/264131768.db2.gz YRAPWPIIWFFCTK-NSHDSACASA-N 1 2 293.352 2.085 20 5 CEBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](n3ccnn3)C2)cs1 ZINC000425357855 264131769 /nfs/dbraw/zinc/13/17/69/264131769.db2.gz YRAPWPIIWFFCTK-NSHDSACASA-N 1 2 293.352 2.085 20 5 CEBDLO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000392369968 270340139 /nfs/dbraw/zinc/34/01/39/270340139.db2.gz KMLODGDDOKIBSU-RKDXNWHRSA-N 1 2 275.312 2.433 20 5 CEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCCOCC3)c2c1 ZINC000413099165 280371416 /nfs/dbraw/zinc/37/14/16/280371416.db2.gz YIAWELCPMDANSS-UHFFFAOYSA-N 1 2 273.292 2.370 20 5 CEBDLO Cc1ccc2c(c1)CC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)C2 ZINC000361839114 281054400 /nfs/dbraw/zinc/05/44/00/281054400.db2.gz HAKRJRKOKPVGAG-UHFFFAOYSA-N 1 2 286.335 2.195 20 5 CEBDLO Cc1ccc2c(c1)CC[N@H+](Cc1c([N+](=O)[O-])ncn1C)C2 ZINC000361839114 281054403 /nfs/dbraw/zinc/05/44/03/281054403.db2.gz HAKRJRKOKPVGAG-UHFFFAOYSA-N 1 2 286.335 2.195 20 5 CEBDLO C[C@H](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)n1cc[nH+]c1 ZINC000514675266 313052828 /nfs/dbraw/zinc/05/28/28/313052828.db2.gz DVIARRWHIXZXBC-LLVKDONJSA-N 1 2 288.307 2.405 20 5 CEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NC1CCC1 ZINC000582340752 322464543 /nfs/dbraw/zinc/46/45/43/322464543.db2.gz VPCGZVFVGDXCIG-UHFFFAOYSA-N 1 2 291.351 2.391 20 5 CEBDLO Cc1[nH]c([C@H]2CCCN2c2c([N+](=O)[O-])ncn2C)[nH+]c1C ZINC000895191625 630022327 /nfs/dbraw/zinc/02/23/27/630022327.db2.gz BODSLAYBBVUPEP-SNVBAGLBSA-N 1 2 290.327 2.010 20 5 CEBDLO C[N@H+](Cc1cn[nH]c1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801524405 631280619 /nfs/dbraw/zinc/28/06/19/631280619.db2.gz RZPXABMYOJUKQM-UHFFFAOYSA-N 1 2 264.260 2.089 20 5 CEBDLO C[N@@H+](Cc1cn[nH]c1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801524405 631280622 /nfs/dbraw/zinc/28/06/22/631280622.db2.gz RZPXABMYOJUKQM-UHFFFAOYSA-N 1 2 264.260 2.089 20 5 CEBDLO C[C@H](Cn1cc[nH+]c1)Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804349022 631668374 /nfs/dbraw/zinc/66/83/74/631668374.db2.gz VCBVOSWMKAWSOQ-SECBINFHSA-N 1 2 291.267 2.200 20 5 CEBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H](F)C1 ZINC000903001502 634932588 /nfs/dbraw/zinc/93/25/88/634932588.db2.gz OBEHWAMFVIZMKO-LLVKDONJSA-N 1 2 268.288 2.408 20 5 CEBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H](F)C1 ZINC000903001502 634932591 /nfs/dbraw/zinc/93/25/91/634932591.db2.gz OBEHWAMFVIZMKO-LLVKDONJSA-N 1 2 268.288 2.408 20 5 CEBDLO CN(C)c1cc(COC(=O)CCC(C)(C)[N+](=O)[O-])cc[nH+]1 ZINC000835286280 638166453 /nfs/dbraw/zinc/16/64/53/638166453.db2.gz DQBQOHGSMZWXEV-UHFFFAOYSA-N 1 2 295.339 2.026 20 5 CEBDLO C[C@@H]1CSCC[N@@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000172516394 639771351 /nfs/dbraw/zinc/77/13/51/639771351.db2.gz KBRIEMVGFDIZCE-SNVBAGLBSA-N 1 2 292.364 2.339 20 5 CEBDLO C[C@@H]1CSCC[N@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000172516394 639771353 /nfs/dbraw/zinc/77/13/53/639771353.db2.gz KBRIEMVGFDIZCE-SNVBAGLBSA-N 1 2 292.364 2.339 20 5 CEBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3C[C@H]4[C@@H](C3)C4(F)F)nc2c1 ZINC000844451290 640732335 /nfs/dbraw/zinc/73/23/35/640732335.db2.gz OJTOIJLTEVVXQO-DTORHVGOSA-N 1 2 295.245 2.433 20 5 CEBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3C[C@H]4[C@@H](C3)C4(F)F)nc2c1 ZINC000844451290 640732339 /nfs/dbraw/zinc/73/23/39/640732339.db2.gz OJTOIJLTEVVXQO-DTORHVGOSA-N 1 2 295.245 2.433 20 5 CEBDLO CON1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000846974834 641504949 /nfs/dbraw/zinc/50/49/49/641504949.db2.gz DQQDRZFVASAWQT-GFCCVEGCSA-N 1 2 279.340 2.143 20 5 CEBDLO O=C(OCCn1cc[nH+]c1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000763115034 645507125 /nfs/dbraw/zinc/50/71/25/645507125.db2.gz JWHDQUQCSCPETR-UHFFFAOYSA-N 1 2 295.682 2.302 20 5 CEBDLO Cc1ccc(C(=O)OCCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000763288048 645529944 /nfs/dbraw/zinc/52/99/44/645529944.db2.gz NPKPGWCDDAMWIZ-UHFFFAOYSA-N 1 2 289.291 2.347 20 5 CEBDLO C[C@H](C(=O)OCc1c[nH+]cn1C)c1cccc([N+](=O)[O-])c1 ZINC000764017278 645602401 /nfs/dbraw/zinc/60/24/01/645602401.db2.gz ZCMOVGGMJYVPNC-JTQLQIEISA-N 1 2 289.291 2.175 20 5 CEBDLO Cc1nn(C[NH+]2CCC(C(F)F)CC2)c(C)c1[N+](=O)[O-] ZINC000765145280 645738242 /nfs/dbraw/zinc/73/82/42/645738242.db2.gz BSLBPFUZRQDEOF-UHFFFAOYSA-N 1 2 288.298 2.343 20 5 CEBDLO Cc1noc(Cn2c[nH+]c(C(C)(C)C)c2)c1[N+](=O)[O-] ZINC000865376284 647264936 /nfs/dbraw/zinc/26/49/36/647264936.db2.gz HIWUDXXPMQLJNK-UHFFFAOYSA-N 1 2 264.285 2.434 20 5 CEBDLO Cc1csc([C@H]2CC[N@H+](Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000872807664 649495235 /nfs/dbraw/zinc/49/52/35/649495235.db2.gz XWIFIHBLSFVHQZ-JTQLQIEISA-N 1 2 293.352 2.003 20 5 CEBDLO Cc1csc([C@H]2CC[N@@H+](Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000872807664 649495236 /nfs/dbraw/zinc/49/52/36/649495236.db2.gz XWIFIHBLSFVHQZ-JTQLQIEISA-N 1 2 293.352 2.003 20 5 CEBDLO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC=C(Cl)C2)cc1 ZINC000878792124 651186489 /nfs/dbraw/zinc/18/64/89/651186489.db2.gz WIIVFKASJKOQNH-CYBMUJFWSA-N 1 2 282.727 2.457 20 5 CEBDLO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC=C(Cl)C2)cc1 ZINC000878792124 651186491 /nfs/dbraw/zinc/18/64/91/651186491.db2.gz WIIVFKASJKOQNH-CYBMUJFWSA-N 1 2 282.727 2.457 20 5 CEBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC=C[C@H]1CO ZINC000880485861 651449212 /nfs/dbraw/zinc/44/92/12/651449212.db2.gz IHRDPRMJIIWFIH-AWEZNQCLSA-N 1 2 292.335 2.115 20 5 CEBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC=C[C@H]1CO ZINC000880485861 651449214 /nfs/dbraw/zinc/44/92/14/651449214.db2.gz IHRDPRMJIIWFIH-AWEZNQCLSA-N 1 2 292.335 2.115 20 5 CEBDLO Cc1cc(O)c(OC2C[NH+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC001229751614 809069529 /nfs/dbraw/zinc/06/95/29/809069529.db2.gz WTPYSDXSEBJSCX-UHFFFAOYSA-N 1 2 280.324 2.470 20 5 CEBDLO O=[N+]([O-])c1ccccc1C[NH2+]Cc1nccn1C1CC1 ZINC000711816662 810098067 /nfs/dbraw/zinc/09/80/67/810098067.db2.gz JJXMZGHNDGTSGZ-UHFFFAOYSA-N 1 2 272.308 2.416 20 5 CEBDLO C[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1(F)F ZINC001169014395 811336759 /nfs/dbraw/zinc/33/67/59/811336759.db2.gz ZBIOLOLHYWOPHP-MXWKQRLJSA-N 1 2 262.300 2.409 20 5 CEBDLO C[C@@H]1CC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1(F)F ZINC001169014395 811336767 /nfs/dbraw/zinc/33/67/67/811336767.db2.gz ZBIOLOLHYWOPHP-MXWKQRLJSA-N 1 2 262.300 2.409 20 5 CEBDLO COc1ccc(C[C@@H](C)[N@@H+]2CCOC[C@@H]2C)c([N+](=O)[O-])c1 ZINC001170329814 812389550 /nfs/dbraw/zinc/38/95/50/812389550.db2.gz VCEVSBWXEGGHCR-NEPJUHHUSA-N 1 2 294.351 2.255 20 5 CEBDLO COc1ccc(C[C@@H](C)[N@H+]2CCOC[C@@H]2C)c([N+](=O)[O-])c1 ZINC001170329814 812389561 /nfs/dbraw/zinc/38/95/61/812389561.db2.gz VCEVSBWXEGGHCR-NEPJUHHUSA-N 1 2 294.351 2.255 20 5 CEBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC001254551192 812485913 /nfs/dbraw/zinc/48/59/13/812485913.db2.gz ZZQWBNQABGZLKP-NWDGAFQWSA-N 1 2 276.336 2.437 20 5 CEBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC(=O)[C@@H](C)C1 ZINC001254551192 812485918 /nfs/dbraw/zinc/48/59/18/812485918.db2.gz ZZQWBNQABGZLKP-NWDGAFQWSA-N 1 2 276.336 2.437 20 5 CEBDLO Cc1cc2c(cc1[N+](=O)[O-])N(Cc1c[nH+]cn1C)CC2 ZINC000754109858 814120748 /nfs/dbraw/zinc/12/07/48/814120748.db2.gz PVOGFBOUQGCJME-UHFFFAOYSA-N 1 2 272.308 2.199 20 5 CEBDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[NH2+]CC(F)(F)C1 ZINC001173222043 815625934 /nfs/dbraw/zinc/62/59/34/815625934.db2.gz OQBWPNHJCIKAMA-LLVKDONJSA-N 1 2 299.321 2.066 20 5 CEBDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(=O)CC1 ZINC001173229200 815630943 /nfs/dbraw/zinc/63/09/43/815630943.db2.gz RMGJOZUJWAZQNE-LLVKDONJSA-N 1 2 262.309 2.191 20 5 CEBDLO C[C@@H]1C[N@H+](CCSc2cccc([N+](=O)[O-])c2)CCO1 ZINC000337918482 214313431 /nfs/dbraw/zinc/31/34/31/214313431.db2.gz VBXMVPMTYRCCDM-LLVKDONJSA-N 1 2 282.365 2.408 20 5 CEBDLO C[C@@H]1C[N@@H+](CCSc2cccc([N+](=O)[O-])c2)CCO1 ZINC000337918482 214313433 /nfs/dbraw/zinc/31/34/33/214313433.db2.gz VBXMVPMTYRCCDM-LLVKDONJSA-N 1 2 282.365 2.408 20 5 CEBDLO C[C@H]([NH2+][C@@H](C(N)=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000126117206 187217561 /nfs/dbraw/zinc/21/75/61/187217561.db2.gz UFPWBZGLLXVHSW-XHDPSFHLSA-N 1 2 299.330 2.472 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC(CF)CC1 ZINC000449463103 282246694 /nfs/dbraw/zinc/24/66/94/282246694.db2.gz WISFYEIILCKDCX-UHFFFAOYSA-N 1 2 268.288 2.482 20 5 CEBDLO CN(C)c1ccc(Nc2ccc([N+](=O)[O-])cn2)c[nH+]1 ZINC000023619001 343382870 /nfs/dbraw/zinc/38/28/70/343382870.db2.gz NOKVSBOCKQBKMP-UHFFFAOYSA-N 1 2 259.269 2.194 20 5 CEBDLO Cc1cnc(N2CCC(n3cc[nH+]c3)CC2)c([N+](=O)[O-])c1 ZINC000078656340 343959613 /nfs/dbraw/zinc/95/96/13/343959613.db2.gz YDQWDFUMDLBULO-UHFFFAOYSA-N 1 2 287.323 2.336 20 5 CEBDLO Cc1noc(C[N@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])n1 ZINC000594616148 345662839 /nfs/dbraw/zinc/66/28/39/345662839.db2.gz SPMOAWNOUJJBFM-FNORWQNLSA-N 1 2 288.307 2.431 20 5 CEBDLO Cc1noc(C[N@@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])n1 ZINC000594616148 345662841 /nfs/dbraw/zinc/66/28/41/345662841.db2.gz SPMOAWNOUJJBFM-FNORWQNLSA-N 1 2 288.307 2.431 20 5 CEBDLO Cc1noc(C[N@H+]2CC[C@@H](OCC(C)C)C2)c1[N+](=O)[O-] ZINC000595343178 345765414 /nfs/dbraw/zinc/76/54/14/345765414.db2.gz FVXIGCMRHJJAJX-LLVKDONJSA-N 1 2 283.328 2.138 20 5 CEBDLO Cc1noc(C[N@@H+]2CC[C@@H](OCC(C)C)C2)c1[N+](=O)[O-] ZINC000595343178 345765416 /nfs/dbraw/zinc/76/54/16/345765416.db2.gz FVXIGCMRHJJAJX-LLVKDONJSA-N 1 2 283.328 2.138 20 5 CEBDLO C[C@]12COC[C@H]1C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C2 ZINC000595755665 345867908 /nfs/dbraw/zinc/86/79/08/345867908.db2.gz CJYXOVKDJXYVTN-OTYXRUKQSA-N 1 2 298.289 2.341 20 5 CEBDLO C[C@]12COC[C@H]1C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C2 ZINC000595755665 345867910 /nfs/dbraw/zinc/86/79/10/345867910.db2.gz CJYXOVKDJXYVTN-OTYXRUKQSA-N 1 2 298.289 2.341 20 5 CEBDLO C[C@H]1C[N@H+](CCNc2ccsc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000596428084 346020738 /nfs/dbraw/zinc/02/07/38/346020738.db2.gz GYGVUNMIHXGORC-UWVGGRQHSA-N 1 2 285.369 2.177 20 5 CEBDLO C[C@H]1C[N@@H+](CCNc2ccsc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000596428084 346020740 /nfs/dbraw/zinc/02/07/40/346020740.db2.gz GYGVUNMIHXGORC-UWVGGRQHSA-N 1 2 285.369 2.177 20 5 CEBDLO CC(C)c1ccc(C[NH2+]Cc2cnn[nH]2)cc1[N+](=O)[O-] ZINC000598987031 346442123 /nfs/dbraw/zinc/44/21/23/346442123.db2.gz JLAPEAYFIYUZOD-UHFFFAOYSA-N 1 2 275.312 2.126 20 5 CEBDLO CC[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1nccs1 ZINC000602811959 347209717 /nfs/dbraw/zinc/20/97/17/347209717.db2.gz QHQNDRBADXWNTQ-VIFPVBQESA-N 1 2 281.341 2.026 20 5 CEBDLO COC(=O)C12CCC(CC1)[N@@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC000602984628 347266456 /nfs/dbraw/zinc/26/64/56/347266456.db2.gz VIAQUROQXAAEGV-UHFFFAOYSA-N 1 2 290.319 2.265 20 5 CEBDLO COC(=O)C12CCC(CC1)[N@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC000602984628 347266459 /nfs/dbraw/zinc/26/64/59/347266459.db2.gz VIAQUROQXAAEGV-UHFFFAOYSA-N 1 2 290.319 2.265 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC=CCC1 ZINC000611517173 347788971 /nfs/dbraw/zinc/78/89/71/347788971.db2.gz FYUUCIFHKQWFHY-UHFFFAOYSA-N 1 2 275.308 2.104 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC=CCC1 ZINC000611517173 347788974 /nfs/dbraw/zinc/78/89/74/347788974.db2.gz FYUUCIFHKQWFHY-UHFFFAOYSA-N 1 2 275.308 2.104 20 5 CEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC=CCC1 ZINC000611517522 347789648 /nfs/dbraw/zinc/78/96/48/347789648.db2.gz LEPJQQHWNLYLLJ-LLVKDONJSA-N 1 2 275.308 2.184 20 5 CEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC=CCC1 ZINC000611517522 347789650 /nfs/dbraw/zinc/78/96/50/347789650.db2.gz LEPJQQHWNLYLLJ-LLVKDONJSA-N 1 2 275.308 2.184 20 5 CEBDLO Cn1nccc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130438917 365957756 /nfs/dbraw/zinc/95/77/56/365957756.db2.gz AXKWPXCCSGBNRI-UHFFFAOYSA-N 1 2 286.335 2.493 20 5 CEBDLO Cn1nccc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130438917 365957758 /nfs/dbraw/zinc/95/77/58/365957758.db2.gz AXKWPXCCSGBNRI-UHFFFAOYSA-N 1 2 286.335 2.493 20 5 CEBDLO Cc1nnc([C@H](C)[N@H+](C)CCc2ccccc2[N+](=O)[O-])[nH]1 ZINC000411723519 233273932 /nfs/dbraw/zinc/27/39/32/233273932.db2.gz SNZMIXVPPZQWOS-JTQLQIEISA-N 1 2 289.339 2.257 20 5 CEBDLO Cc1nnc([C@H](C)[N@@H+](C)CCc2ccccc2[N+](=O)[O-])[nH]1 ZINC000411723519 233273935 /nfs/dbraw/zinc/27/39/35/233273935.db2.gz SNZMIXVPPZQWOS-JTQLQIEISA-N 1 2 289.339 2.257 20 5 CEBDLO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])nc2)c2[nH+]ccn21 ZINC000450821454 282786504 /nfs/dbraw/zinc/78/65/04/282786504.db2.gz RDHVUIJKNWRDOB-PSASIEDQSA-N 1 2 259.269 2.304 20 5 CEBDLO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000450826159 282788734 /nfs/dbraw/zinc/78/87/34/282788734.db2.gz YXIDFDCXGNWTBB-PSASIEDQSA-N 1 2 290.327 2.434 20 5 CEBDLO CC(C)([NH2+]Cc1cnns1)c1ccccc1[N+](=O)[O-] ZINC000451053755 282876557 /nfs/dbraw/zinc/87/65/57/282876557.db2.gz IQWJESLEXAGYKW-UHFFFAOYSA-N 1 2 278.337 2.471 20 5 CEBDLO C[C@H]1CSCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284191858 291021003 /nfs/dbraw/zinc/02/10/03/291021003.db2.gz RZDXWMDZWSBXKI-VIFPVBQESA-N 1 2 297.336 2.440 20 5 CEBDLO C[C@H]1CSCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284191858 291021007 /nfs/dbraw/zinc/02/10/07/291021007.db2.gz RZDXWMDZWSBXKI-VIFPVBQESA-N 1 2 297.336 2.440 20 5 CEBDLO COc1ccc([N+](=O)[O-])c(N[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000133767442 366254107 /nfs/dbraw/zinc/25/41/07/366254107.db2.gz KBIDGHFGASGHQN-JTQLQIEISA-N 1 2 276.296 2.301 20 5 CEBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@](F)(CO)C1 ZINC000338590756 366430276 /nfs/dbraw/zinc/43/02/76/366430276.db2.gz UEJNSDVQZZDYGH-GXFFZTMASA-N 1 2 268.288 2.062 20 5 CEBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@](F)(CO)C1 ZINC000338590756 366430286 /nfs/dbraw/zinc/43/02/86/366430286.db2.gz UEJNSDVQZZDYGH-GXFFZTMASA-N 1 2 268.288 2.062 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H](CO)c1ccccc1 ZINC000339080495 366643609 /nfs/dbraw/zinc/64/36/09/366643609.db2.gz DJYDHYPNYRRTJA-CQSZACIVSA-N 1 2 288.303 2.124 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@@H](C)[C@@H]1C ZINC000339567896 366704843 /nfs/dbraw/zinc/70/48/43/366704843.db2.gz HRCBAUDLKJAYND-MNOVXSKESA-N 1 2 277.324 2.182 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000339567896 366704848 /nfs/dbraw/zinc/70/48/48/366704848.db2.gz HRCBAUDLKJAYND-MNOVXSKESA-N 1 2 277.324 2.182 20 5 CEBDLO Cc1ccc(C[N@@H+](C)Cc2cnccn2)cc1[N+](=O)[O-] ZINC000092591073 364086415 /nfs/dbraw/zinc/08/64/15/364086415.db2.gz VKWHXWLQSOUURB-UHFFFAOYSA-N 1 2 272.308 2.325 20 5 CEBDLO Cc1ccc(C[N@H+](C)Cc2cnccn2)cc1[N+](=O)[O-] ZINC000092591073 364086417 /nfs/dbraw/zinc/08/64/17/364086417.db2.gz VKWHXWLQSOUURB-UHFFFAOYSA-N 1 2 272.308 2.325 20 5 CEBDLO CC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000166089232 367318254 /nfs/dbraw/zinc/31/82/54/367318254.db2.gz JVTDLSPJIVMLDL-NSHDSACASA-N 1 2 293.323 2.113 20 5 CEBDLO CC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000166089232 367318255 /nfs/dbraw/zinc/31/82/55/367318255.db2.gz JVTDLSPJIVMLDL-NSHDSACASA-N 1 2 293.323 2.113 20 5 CEBDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342944528 367606441 /nfs/dbraw/zinc/60/64/41/367606441.db2.gz FAOMMKBNAGSIHI-UHFFFAOYSA-N 1 2 299.290 2.071 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CC(=O)NC(C)(C)C ZINC000183242656 368617385 /nfs/dbraw/zinc/61/73/85/368617385.db2.gz SFFUCVINOSTPSF-UHFFFAOYSA-N 1 2 293.367 2.250 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CC(=O)NC(C)(C)C ZINC000183242656 368617390 /nfs/dbraw/zinc/61/73/90/368617390.db2.gz SFFUCVINOSTPSF-UHFFFAOYSA-N 1 2 293.367 2.250 20 5 CEBDLO COc1cc(C[N@@H+]2CCCO[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000184197405 368678511 /nfs/dbraw/zinc/67/85/11/368678511.db2.gz WZIDFHVGIMLQRX-SNVBAGLBSA-N 1 2 298.314 2.353 20 5 CEBDLO COc1cc(C[N@H+]2CCCO[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000184197405 368678518 /nfs/dbraw/zinc/67/85/18/368678518.db2.gz WZIDFHVGIMLQRX-SNVBAGLBSA-N 1 2 298.314 2.353 20 5 CEBDLO COc1cc(C[NH2+][C@@H](C)c2nc(C)no2)ccc1[N+](=O)[O-] ZINC000348119436 368907580 /nfs/dbraw/zinc/90/75/80/368907580.db2.gz ZJHKPUKMSGRMHJ-QMMMGPOBSA-N 1 2 292.295 2.146 20 5 CEBDLO C[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000348327366 369004875 /nfs/dbraw/zinc/00/48/75/369004875.db2.gz UPNGABFBDHMNDV-SECBINFHSA-N 1 2 278.287 2.318 20 5 CEBDLO COc1cc(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000352533942 369776204 /nfs/dbraw/zinc/77/62/04/369776204.db2.gz BIWSCEDYVGDNHQ-QWRGUYRKSA-N 1 2 280.324 2.213 20 5 CEBDLO COc1cc(C[N@H+]2CCO[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000352533942 369776205 /nfs/dbraw/zinc/77/62/05/369776205.db2.gz BIWSCEDYVGDNHQ-QWRGUYRKSA-N 1 2 280.324 2.213 20 5 CEBDLO C[C@H](Cn1cc[nH+]c1)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000223215089 370262765 /nfs/dbraw/zinc/26/27/65/370262765.db2.gz OHBCRPGUARMPHZ-MRVPVSSYSA-N 1 2 281.703 2.340 20 5 CEBDLO Cc1cccc(NCC2([NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000277360651 193630860 /nfs/dbraw/zinc/63/08/60/193630860.db2.gz HAFUHESZMDQCHP-UHFFFAOYSA-N 1 2 291.351 2.180 20 5 CEBDLO Cc1c(C[NH2+][C@@H](C(N)=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000359018133 371303903 /nfs/dbraw/zinc/30/39/03/371303903.db2.gz XEYJIWGDPOSAFO-OAHLLOKOSA-N 1 2 299.330 2.219 20 5 CEBDLO O=[N+]([O-])c1cnccc1NCc1ccccc1-n1cc[nH+]c1 ZINC000361059582 371627309 /nfs/dbraw/zinc/62/73/09/371627309.db2.gz GYEZSIZCBNCQSH-UHFFFAOYSA-N 1 2 295.302 2.210 20 5 CEBDLO COc1cc[nH+]cc1Cn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000344130442 217063819 /nfs/dbraw/zinc/06/38/19/217063819.db2.gz KMKKDHULHNWPKB-UHFFFAOYSA-N 1 2 274.280 2.121 20 5 CEBDLO O=[N+]([O-])c1ccc(N2CCCC[C@@H]2c2[nH]cc[nH+]2)nc1 ZINC000267227341 372063012 /nfs/dbraw/zinc/06/30/12/372063012.db2.gz FDSKKTWXNAXXHQ-LLVKDONJSA-N 1 2 273.296 2.445 20 5 CEBDLO Cc1cn2c([nH+]1)CN(Cc1cc(F)ccc1[N+](=O)[O-])CC2 ZINC000371707396 373955805 /nfs/dbraw/zinc/95/58/05/373955805.db2.gz OFKOLSWGICJYOE-UHFFFAOYSA-N 1 2 290.298 2.255 20 5 CEBDLO C[NH2+]Cc1noc(C(C)(C)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000414641819 375894992 /nfs/dbraw/zinc/89/49/92/375894992.db2.gz KEYUBQZDBNCPTC-UHFFFAOYSA-N 1 2 294.286 2.162 20 5 CEBDLO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CCOC1 ZINC000286510060 375977791 /nfs/dbraw/zinc/97/77/91/375977791.db2.gz RTGAFWXFSHPDSI-MRVPVSSYSA-N 1 2 272.251 2.094 20 5 CEBDLO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CCOC1 ZINC000286510060 375977798 /nfs/dbraw/zinc/97/77/98/375977798.db2.gz RTGAFWXFSHPDSI-MRVPVSSYSA-N 1 2 272.251 2.094 20 5 CEBDLO CCC(CC)([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000558739922 376643144 /nfs/dbraw/zinc/64/31/44/376643144.db2.gz XQWNYGXZHPYUFP-UHFFFAOYSA-N 1 2 294.351 2.459 20 5 CEBDLO C[C@H]1CSCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330413015 377120496 /nfs/dbraw/zinc/12/04/96/377120496.db2.gz BMQIZPMUCGWWJQ-VIFPVBQESA-N 1 2 268.338 2.238 20 5 CEBDLO C[C@H]1CSCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330413015 377120501 /nfs/dbraw/zinc/12/05/01/377120501.db2.gz BMQIZPMUCGWWJQ-VIFPVBQESA-N 1 2 268.338 2.238 20 5 CEBDLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330417254 377123474 /nfs/dbraw/zinc/12/34/74/377123474.db2.gz DPUOXBGNJHPXTA-ZYHUDNBSSA-N 1 2 280.324 2.300 20 5 CEBDLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330417254 377123478 /nfs/dbraw/zinc/12/34/78/377123478.db2.gz DPUOXBGNJHPXTA-ZYHUDNBSSA-N 1 2 280.324 2.300 20 5 CEBDLO CO[C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000330436723 377133291 /nfs/dbraw/zinc/13/32/91/377133291.db2.gz BLBXQUZIWWBDRB-GXFFZTMASA-N 1 2 280.324 2.300 20 5 CEBDLO CO[C@@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000330436723 377133298 /nfs/dbraw/zinc/13/32/98/377133298.db2.gz BLBXQUZIWWBDRB-GXFFZTMASA-N 1 2 280.324 2.300 20 5 CEBDLO C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330458861 377144133 /nfs/dbraw/zinc/14/41/33/377144133.db2.gz PPONLJADWWJCJV-AAEUAGOBSA-N 1 2 294.351 2.426 20 5 CEBDLO C[C@H](O)C[C@@H]1CCCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330458861 377144136 /nfs/dbraw/zinc/14/41/36/377144136.db2.gz PPONLJADWWJCJV-AAEUAGOBSA-N 1 2 294.351 2.426 20 5 CEBDLO CC[N@H+]1C[C@@H](C)N(Cc2cc(O)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000331352763 377396077 /nfs/dbraw/zinc/39/60/77/377396077.db2.gz ORYVHICERDYVPO-TXEJJXNPSA-N 1 2 293.367 2.215 20 5 CEBDLO CC[N@@H+]1C[C@@H](C)N(Cc2cc(O)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000331352763 377396086 /nfs/dbraw/zinc/39/60/86/377396086.db2.gz ORYVHICERDYVPO-TXEJJXNPSA-N 1 2 293.367 2.215 20 5 CEBDLO Cc1cnc(NCc2ccc(N(C)C)[nH+]c2)c([N+](=O)[O-])c1 ZINC000266240470 190242802 /nfs/dbraw/zinc/24/28/02/190242802.db2.gz WWAATDCFKDNCJB-UHFFFAOYSA-N 1 2 287.323 2.371 20 5 CEBDLO COC(=O)C[N@H+](C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000347330726 218192568 /nfs/dbraw/zinc/19/25/68/218192568.db2.gz DQHOPOXHKIEPGI-YRNVUSSQSA-N 1 2 278.308 2.103 20 5 CEBDLO COC(=O)C[N@@H+](C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000347330726 218192570 /nfs/dbraw/zinc/19/25/70/218192570.db2.gz DQHOPOXHKIEPGI-YRNVUSSQSA-N 1 2 278.308 2.103 20 5 CEBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCn2cnnc2C1 ZINC000347354917 218202968 /nfs/dbraw/zinc/20/29/68/218202968.db2.gz JGJISPPSZLAPNL-GHXNOFRVSA-N 1 2 299.334 2.105 20 5 CEBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCn2cnnc2C1 ZINC000347354917 218202971 /nfs/dbraw/zinc/20/29/71/218202971.db2.gz JGJISPPSZLAPNL-GHXNOFRVSA-N 1 2 299.334 2.105 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(N(C)[C@H](C)C[NH+]2CCOCC2)c1 ZINC000278835565 194176605 /nfs/dbraw/zinc/17/66/05/194176605.db2.gz KNGNSQKHTWUZIS-CYBMUJFWSA-N 1 2 293.367 2.060 20 5 CEBDLO Cc1cccc(N[C@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000218836735 394457743 /nfs/dbraw/zinc/45/77/43/394457743.db2.gz MJIOLYLUQVLOMJ-GFCCVEGCSA-N 1 2 279.340 2.036 20 5 CEBDLO C[C@H](c1cccc(O)c1)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000356863845 394634357 /nfs/dbraw/zinc/63/43/57/394634357.db2.gz NGXVFBLKAXJRKO-SNVBAGLBSA-N 1 2 290.323 2.227 20 5 CEBDLO C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000356863845 394634359 /nfs/dbraw/zinc/63/43/59/394634359.db2.gz NGXVFBLKAXJRKO-SNVBAGLBSA-N 1 2 290.323 2.227 20 5 CEBDLO CCn1ncnc1C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000278319568 394829008 /nfs/dbraw/zinc/82/90/08/394829008.db2.gz AAFPSFYQZIZEKO-SNVBAGLBSA-N 1 2 275.312 2.057 20 5 CEBDLO COc1ccc(CNc2cccc(CO)[nH+]2)cc1[N+](=O)[O-] ZINC000432739217 395177925 /nfs/dbraw/zinc/17/79/25/395177925.db2.gz WZYCZIICNWRFMH-UHFFFAOYSA-N 1 2 289.291 2.103 20 5 CEBDLO Cc1cc(N2CCn3c[nH+]cc3C2)c(F)cc1[N+](=O)[O-] ZINC000292678711 395203508 /nfs/dbraw/zinc/20/35/08/395203508.db2.gz QWIBRMMDIFDKFS-UHFFFAOYSA-N 1 2 276.271 2.259 20 5 CEBDLO O=[N+]([O-])c1ccc(NCCCn2cc[nH+]c2)c(F)c1 ZINC000020506393 171228854 /nfs/dbraw/zinc/22/88/54/171228854.db2.gz MHMBZQBUHOEUGY-UHFFFAOYSA-N 1 2 264.260 2.433 20 5 CEBDLO CN(C)c1ccc(CNc2ncccc2[N+](=O)[O-])c[nH+]1 ZINC000046484185 175397083 /nfs/dbraw/zinc/39/70/83/175397083.db2.gz VAZXMDMRSQIBMW-UHFFFAOYSA-N 1 2 273.296 2.063 20 5 CEBDLO Cn1cc(Cl)c(C[NH2+]Cc2cccc([N+](=O)[O-])c2)n1 ZINC000393324302 270342754 /nfs/dbraw/zinc/34/27/54/270342754.db2.gz KDUXOHQMPUISPR-UHFFFAOYSA-N 1 2 280.715 2.272 20 5 CEBDLO CC(C)c1ccc(C[N@@H+]2CCC[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000179580902 278035868 /nfs/dbraw/zinc/03/58/68/278035868.db2.gz ZHGQFKGPLNNSLO-ZDUSSCGKSA-N 1 2 291.351 2.168 20 5 CEBDLO CC(C)c1ccc(C[N@H+]2CCC[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000179580902 278035870 /nfs/dbraw/zinc/03/58/70/278035870.db2.gz ZHGQFKGPLNNSLO-ZDUSSCGKSA-N 1 2 291.351 2.168 20 5 CEBDLO Cn1cccc1C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000356531904 279369289 /nfs/dbraw/zinc/36/92/89/279369289.db2.gz SGGMQEWOPHGFTK-UHFFFAOYSA-N 1 2 287.319 2.328 20 5 CEBDLO Cn1cccc1C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000356531904 279369293 /nfs/dbraw/zinc/36/92/93/279369293.db2.gz SGGMQEWOPHGFTK-UHFFFAOYSA-N 1 2 287.319 2.328 20 5 CEBDLO Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2N)c(C)[nH+]1 ZINC000130689306 279940909 /nfs/dbraw/zinc/94/09/09/279940909.db2.gz UNYDCYXJNRCPDQ-UHFFFAOYSA-N 1 2 286.291 2.441 20 5 CEBDLO O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CCC(O)CC1 ZINC000050445153 280357596 /nfs/dbraw/zinc/35/75/96/280357596.db2.gz UMCKOHOISPPXLC-UHFFFAOYSA-N 1 2 270.716 2.205 20 5 CEBDLO CC[N@H+](Cc1cnn(C)c1)Cc1ccccc1[N+](=O)[O-] ZINC000157562775 289216704 /nfs/dbraw/zinc/21/67/04/289216704.db2.gz NJRYTVFNLWYJAT-UHFFFAOYSA-N 1 2 274.324 2.350 20 5 CEBDLO CC[N@@H+](Cc1cnn(C)c1)Cc1ccccc1[N+](=O)[O-] ZINC000157562775 289216706 /nfs/dbraw/zinc/21/67/06/289216706.db2.gz NJRYTVFNLWYJAT-UHFFFAOYSA-N 1 2 274.324 2.350 20 5 CEBDLO C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000339070132 289981029 /nfs/dbraw/zinc/98/10/29/289981029.db2.gz HSTIGGOPGKLTNI-JTQLQIEISA-N 1 2 280.324 2.205 20 5 CEBDLO Cn1cc[nH+]c1[C@@H]1N(c2ccc([N+](=O)[O-])cn2)CC1(C)C ZINC000296280106 294423764 /nfs/dbraw/zinc/42/37/64/294423764.db2.gz KYLXNUPSIFVHRG-LBPRGKRZSA-N 1 2 287.323 2.311 20 5 CEBDLO O=[N+]([O-])c1cccc2c1CC[N@H+](Cc1ccno1)C2 ZINC000533802449 298169067 /nfs/dbraw/zinc/16/90/67/298169067.db2.gz RZKVBLSONFLVTF-UHFFFAOYSA-N 1 2 259.265 2.141 20 5 CEBDLO O=[N+]([O-])c1cccc2c1CC[N@@H+](Cc1ccno1)C2 ZINC000533802449 298169070 /nfs/dbraw/zinc/16/90/70/298169070.db2.gz RZKVBLSONFLVTF-UHFFFAOYSA-N 1 2 259.265 2.141 20 5 CEBDLO COc1cc(C[NH2+][C@@H](C)c2nnc(C)o2)ccc1[N+](=O)[O-] ZINC000543543689 298311671 /nfs/dbraw/zinc/31/16/71/298311671.db2.gz IFZVCYYJVNBKFD-QMMMGPOBSA-N 1 2 292.295 2.146 20 5 CEBDLO Cc1ccc(Cc2noc(-c3ccc([N+](=O)[O-])cn3)n2)c[nH+]1 ZINC000544142974 298317595 /nfs/dbraw/zinc/31/75/95/298317595.db2.gz VNMMSAWRMMOAKO-UHFFFAOYSA-N 1 2 297.274 2.334 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1CNc1nc(C)[nH+]cc1C ZINC000566478999 298992708 /nfs/dbraw/zinc/99/27/08/298992708.db2.gz PJFZHSKRZKIVFX-UHFFFAOYSA-N 1 2 288.307 2.044 20 5 CEBDLO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000576940867 314325300 /nfs/dbraw/zinc/32/53/00/314325300.db2.gz HGXHHXUJTRIDIG-QMTHXVAHSA-N 1 2 293.323 2.147 20 5 CEBDLO CC[C@](C)([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1nccs1 ZINC000357097583 529371338 /nfs/dbraw/zinc/37/13/38/529371338.db2.gz QMLFHXPRUXWHPA-LBPRGKRZSA-N 1 2 295.368 2.200 20 5 CEBDLO COc1cc(F)c([N+](=O)[O-])c(N2CCc3[nH+]c[nH]c3C2)c1 ZINC000820581525 634457513 /nfs/dbraw/zinc/45/75/13/634457513.db2.gz UUBMVTWDGSHDFI-UHFFFAOYSA-N 1 2 292.270 2.028 20 5 CEBDLO C[C@@H]([NH2+]Cc1csc(N)n1)c1ccc([N+](=O)[O-])cc1 ZINC000902489447 634704725 /nfs/dbraw/zinc/70/47/25/634704725.db2.gz RBBVLZIVOVMHRN-MRVPVSSYSA-N 1 2 278.337 2.484 20 5 CEBDLO COCC1C[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000895971964 630424248 /nfs/dbraw/zinc/42/42/48/630424248.db2.gz ZGMQJKAIILAEGE-UHFFFAOYSA-N 1 2 270.716 2.326 20 5 CEBDLO CCn1cc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)nn1 ZINC000827087395 636209854 /nfs/dbraw/zinc/20/98/54/636209854.db2.gz LWXYHSMQDQHUBU-UHFFFAOYSA-N 1 2 295.730 2.149 20 5 CEBDLO O=[N+]([O-])CC[NH2+]Cc1cc(C(F)(F)F)cc(Cl)n1 ZINC000905408059 636260461 /nfs/dbraw/zinc/26/04/61/636260461.db2.gz LKZOCJGHMAKLOF-UHFFFAOYSA-N 1 2 283.637 2.120 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844448550 640729906 /nfs/dbraw/zinc/72/99/06/640729906.db2.gz FZQUKCWKKBEHTP-PHIMTYICSA-N 1 2 284.262 2.300 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844448550 640729909 /nfs/dbraw/zinc/72/99/09/640729909.db2.gz FZQUKCWKKBEHTP-PHIMTYICSA-N 1 2 284.262 2.300 20 5 CEBDLO Cc1cc(C(=O)OCCCn2cc[nH+]c2)cc([N+](=O)[O-])c1 ZINC000783204397 647693195 /nfs/dbraw/zinc/69/31/95/647693195.db2.gz RNMQCYNPVDIIBV-UHFFFAOYSA-N 1 2 289.291 2.347 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)OCCCn1cc[nH+]c1 ZINC000783240035 647699629 /nfs/dbraw/zinc/69/96/29/647699629.db2.gz OKDDECPMVWTGTG-UHFFFAOYSA-N 1 2 289.291 2.347 20 5 CEBDLO CCc1nc(C)c([C@H](C)[N@H+](C)CC[N+](=O)[O-])s1 ZINC000791052405 648474717 /nfs/dbraw/zinc/47/47/17/648474717.db2.gz NAAMOWSQWYGUBQ-VIFPVBQESA-N 1 2 257.359 2.283 20 5 CEBDLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC[N+](=O)[O-])s1 ZINC000791052405 648474720 /nfs/dbraw/zinc/47/47/20/648474720.db2.gz NAAMOWSQWYGUBQ-VIFPVBQESA-N 1 2 257.359 2.283 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(C(=O)OCCc2c[nH+]cn2C)c1 ZINC000793253334 648732148 /nfs/dbraw/zinc/73/21/48/648732148.db2.gz PDTBUCLLEYQCJZ-UHFFFAOYSA-N 1 2 289.291 2.036 20 5 CEBDLO CC(C)C[C@@H](C(N)=O)[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000880592304 651467348 /nfs/dbraw/zinc/46/73/48/651467348.db2.gz UUILUOOKYWSIMQ-ZDUSSCGKSA-N 1 2 297.330 2.066 20 5 CEBDLO CC(C)C[C@@H](C(N)=O)[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000880592304 651467349 /nfs/dbraw/zinc/46/73/49/651467349.db2.gz UUILUOOKYWSIMQ-ZDUSSCGKSA-N 1 2 297.330 2.066 20 5 CEBDLO Nc1cc(CNc2ncc3cccc([N+](=O)[O-])c3n2)cc[nH+]1 ZINC001167617173 803204023 /nfs/dbraw/zinc/20/40/23/803204023.db2.gz LZTBKPIOFIUNEX-UHFFFAOYSA-N 1 2 296.290 2.127 20 5 CEBDLO Cc1cccc(NCc2cc[nH+]c(N)c2)c1[N+](=O)[O-] ZINC001167617486 803205209 /nfs/dbraw/zinc/20/52/09/803205209.db2.gz OJSZUWQVGMLXRG-UHFFFAOYSA-N 1 2 258.281 2.493 20 5 CEBDLO C[C@@H](NC(=O)[C@H](C)n1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1 ZINC001119642464 815144703 /nfs/dbraw/zinc/14/47/03/815144703.db2.gz ZDZLKIOEMVLUTC-MNOVXSKESA-N 1 2 288.307 2.230 20 5 CEBDLO COC(=O)C1([NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001173210360 815635479 /nfs/dbraw/zinc/63/54/79/815635479.db2.gz JRGXMZFPOSOCKE-LLVKDONJSA-N 1 2 292.335 2.211 20 5 CEBDLO COC(=O)C(C)(C)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173212330 815635897 /nfs/dbraw/zinc/63/58/97/815635897.db2.gz ZICLIBKVRPHADH-SNVBAGLBSA-N 1 2 280.324 2.067 20 5 CEBDLO CN(C)c1[nH+]cccc1CNc1ncccc1[N+](=O)[O-] ZINC000048559461 362284356 /nfs/dbraw/zinc/28/43/56/362284356.db2.gz BJAOPTGUWLDLOT-UHFFFAOYSA-N 1 2 273.296 2.063 20 5 CEBDLO Cn1c(Cl)cnc1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000050015809 362389606 /nfs/dbraw/zinc/38/96/06/362389606.db2.gz VCBLJMLVIYJBFS-UHFFFAOYSA-N 1 2 280.715 2.272 20 5 CEBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3C[C@@H]4CCC[C@H]43)nc2c1 ZINC000584759421 344983342 /nfs/dbraw/zinc/98/33/42/344983342.db2.gz QZZHUDQGPSGOND-TVQRCGJNSA-N 1 2 272.308 2.455 20 5 CEBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3C[C@@H]4CCC[C@H]43)nc2c1 ZINC000584759421 344983343 /nfs/dbraw/zinc/98/33/43/344983343.db2.gz QZZHUDQGPSGOND-TVQRCGJNSA-N 1 2 272.308 2.455 20 5 CEBDLO CN(Cc1csc([N+](=O)[O-])c1)Cc1[nH]cc[nH+]1 ZINC000585727083 345012112 /nfs/dbraw/zinc/01/21/12/345012112.db2.gz ZPGPAHCXLGVWPH-UHFFFAOYSA-N 1 2 252.299 2.011 20 5 CEBDLO C[C@H]1C[C@H](O)CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000591165597 345227080 /nfs/dbraw/zinc/22/70/80/345227080.db2.gz LWXPMKXBBVGUAF-GWCFXTLKSA-N 1 2 287.319 2.350 20 5 CEBDLO CC[N@H+](CCSC)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000592201185 345337270 /nfs/dbraw/zinc/33/72/70/345337270.db2.gz CLFNZMBVICITNK-UHFFFAOYSA-N 1 2 270.354 2.485 20 5 CEBDLO CC[N@@H+](CCSC)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000592201185 345337272 /nfs/dbraw/zinc/33/72/72/345337272.db2.gz CLFNZMBVICITNK-UHFFFAOYSA-N 1 2 270.354 2.485 20 5 CEBDLO C[C@@H](O)C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C1CC1 ZINC000594063617 345577039 /nfs/dbraw/zinc/57/70/39/345577039.db2.gz JSIOGEUBAIPNEN-MRVPVSSYSA-N 1 2 286.278 2.218 20 5 CEBDLO C[C@@H](O)C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C1CC1 ZINC000594063617 345577040 /nfs/dbraw/zinc/57/70/40/345577040.db2.gz JSIOGEUBAIPNEN-MRVPVSSYSA-N 1 2 286.278 2.218 20 5 CEBDLO Cc1noc(C[N@@H+](C)[C@H](CO)c2ccccc2)c1[N+](=O)[O-] ZINC000595303615 345758200 /nfs/dbraw/zinc/75/82/00/345758200.db2.gz AKHIYLKVBIGKQV-GFCCVEGCSA-N 1 2 291.307 2.057 20 5 CEBDLO Cc1noc(C[N@H+](C)[C@H](CO)c2ccccc2)c1[N+](=O)[O-] ZINC000595303615 345758202 /nfs/dbraw/zinc/75/82/02/345758202.db2.gz AKHIYLKVBIGKQV-GFCCVEGCSA-N 1 2 291.307 2.057 20 5 CEBDLO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H](O)C(F)(F)F ZINC000595424650 345779211 /nfs/dbraw/zinc/77/92/11/345779211.db2.gz XCIIBRFYNFBGTK-SNVBAGLBSA-N 1 2 296.220 2.089 20 5 CEBDLO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H](O)C(F)(F)F ZINC000595424650 345779213 /nfs/dbraw/zinc/77/92/13/345779213.db2.gz XCIIBRFYNFBGTK-SNVBAGLBSA-N 1 2 296.220 2.089 20 5 CEBDLO C[N@H+](Cc1csc([N+](=O)[O-])c1)CC1=CCCOC1 ZINC000595750993 345866770 /nfs/dbraw/zinc/86/67/70/345866770.db2.gz FAKBSZQFBFXSNO-UHFFFAOYSA-N 1 2 268.338 2.435 20 5 CEBDLO C[N@@H+](Cc1csc([N+](=O)[O-])c1)CC1=CCCOC1 ZINC000595750993 345866772 /nfs/dbraw/zinc/86/67/72/345866772.db2.gz FAKBSZQFBFXSNO-UHFFFAOYSA-N 1 2 268.338 2.435 20 5 CEBDLO Cc1ccc(C(=O)N[C@H](C)c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000598459537 346360387 /nfs/dbraw/zinc/36/03/87/346360387.db2.gz HUVYVZYRRSFQAP-SNVBAGLBSA-N 1 2 288.307 2.128 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H]2CCC[C@@H]21 ZINC000610762453 347711845 /nfs/dbraw/zinc/71/18/45/347711845.db2.gz FIQCKJITGYBQAU-RISCZKNCSA-N 1 2 289.335 2.326 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H]2CCC[C@@H]21 ZINC000610762453 347711848 /nfs/dbraw/zinc/71/18/48/347711848.db2.gz FIQCKJITGYBQAU-RISCZKNCSA-N 1 2 289.335 2.326 20 5 CEBDLO Cc1cnc(N2CCC[C@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000610284047 347669476 /nfs/dbraw/zinc/66/94/76/347669476.db2.gz HYSHIWNONJXBGO-LBPRGKRZSA-N 1 2 287.323 2.336 20 5 CEBDLO O=[N+]([O-])c1ccccc1NCCNc1cc[nH+]cc1F ZINC000611399160 347774110 /nfs/dbraw/zinc/77/41/10/347774110.db2.gz SUPLYHDCIWGTLI-UHFFFAOYSA-N 1 2 276.271 2.075 20 5 CEBDLO C[C@H]1COCCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000610990827 347727967 /nfs/dbraw/zinc/72/79/67/347727967.db2.gz PLBXZZJKXNVOQN-JTQLQIEISA-N 1 2 268.288 2.345 20 5 CEBDLO C[C@H]1COCCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000610990827 347727969 /nfs/dbraw/zinc/72/79/69/347727969.db2.gz PLBXZZJKXNVOQN-JTQLQIEISA-N 1 2 268.288 2.345 20 5 CEBDLO CCOC1(C)C[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000459625950 290199628 /nfs/dbraw/zinc/19/96/28/290199628.db2.gz ULXNWBRWTWBVCO-UHFFFAOYSA-N 1 2 250.298 2.206 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@H](C)[C@@H]1C ZINC000339573734 215249194 /nfs/dbraw/zinc/24/91/94/215249194.db2.gz OQVSZNWBSCHBOW-QWRGUYRKSA-N 1 2 277.324 2.182 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@H](C)[C@@H]1C ZINC000339573734 215249195 /nfs/dbraw/zinc/24/91/95/215249195.db2.gz OQVSZNWBSCHBOW-QWRGUYRKSA-N 1 2 277.324 2.182 20 5 CEBDLO C[C@@H]1C[N@@H+](CCN(C)c2ccsc2[N+](=O)[O-])C[C@H](C)O1 ZINC000618978460 349083306 /nfs/dbraw/zinc/08/33/06/349083306.db2.gz ZCCRVEKEFGHWMS-PHIMTYICSA-N 1 2 299.396 2.202 20 5 CEBDLO C[C@@H]1C[N@H+](CCN(C)c2ccsc2[N+](=O)[O-])C[C@H](C)O1 ZINC000618978460 349083308 /nfs/dbraw/zinc/08/33/08/349083308.db2.gz ZCCRVEKEFGHWMS-PHIMTYICSA-N 1 2 299.396 2.202 20 5 CEBDLO CC[C@H]([NH2+]Cc1nncn1CC)c1cccc([N+](=O)[O-])c1 ZINC000158430158 188376426 /nfs/dbraw/zinc/37/64/26/188376426.db2.gz BSPAAXLCGQGECR-ZDUSSCGKSA-N 1 2 289.339 2.447 20 5 CEBDLO CC1(C)C[N@H+](Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000073871173 363262199 /nfs/dbraw/zinc/26/21/99/363262199.db2.gz JEYJTWNPSFAXIV-UHFFFAOYSA-N 1 2 250.298 2.206 20 5 CEBDLO CC1(C)C[N@@H+](Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000073871173 363262204 /nfs/dbraw/zinc/26/22/04/363262204.db2.gz JEYJTWNPSFAXIV-UHFFFAOYSA-N 1 2 250.298 2.206 20 5 CEBDLO CC[C@H]1C(=O)N(CC)CC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000495193883 291022772 /nfs/dbraw/zinc/02/27/72/291022772.db2.gz LENZRVKUBKGVPL-ZDUSSCGKSA-N 1 2 291.351 2.038 20 5 CEBDLO CC[C@H]1C(=O)N(CC)CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000495193883 291022775 /nfs/dbraw/zinc/02/27/75/291022775.db2.gz LENZRVKUBKGVPL-ZDUSSCGKSA-N 1 2 291.351 2.038 20 5 CEBDLO COC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451549089 283030776 /nfs/dbraw/zinc/03/07/76/283030776.db2.gz OWSJRLQKVPRHSO-YPMHNXCESA-N 1 2 292.335 2.336 20 5 CEBDLO COC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451549089 283030780 /nfs/dbraw/zinc/03/07/80/283030780.db2.gz OWSJRLQKVPRHSO-YPMHNXCESA-N 1 2 292.335 2.336 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@@H](CF)C1 ZINC000414471621 236374795 /nfs/dbraw/zinc/37/47/95/236374795.db2.gz PTEBXPWWNZFAQE-ZDUSSCGKSA-N 1 2 268.288 2.074 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@@H](CF)C1 ZINC000414471621 236374798 /nfs/dbraw/zinc/37/47/98/236374798.db2.gz PTEBXPWWNZFAQE-ZDUSSCGKSA-N 1 2 268.288 2.074 20 5 CEBDLO COc1nccc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000294945218 199263723 /nfs/dbraw/zinc/26/37/23/199263723.db2.gz CZIYITGIDYCAHL-SNVBAGLBSA-N 1 2 288.307 2.244 20 5 CEBDLO CN(Cc1ccc(N)[nH+]c1)c1ccc([N+](=O)[O-])cc1 ZINC000135985666 366487304 /nfs/dbraw/zinc/48/73/04/366487304.db2.gz BDVOJMJEEOLOIX-UHFFFAOYSA-N 1 2 258.281 2.208 20 5 CEBDLO Cc1ccc(C[N@@H+]2CCOCC23CC3)cc1[N+](=O)[O-] ZINC000338997740 366605829 /nfs/dbraw/zinc/60/58/29/366605829.db2.gz ACHVHHWJCDBLFT-UHFFFAOYSA-N 1 2 262.309 2.268 20 5 CEBDLO Cc1ccc(C[N@H+]2CCOCC23CC3)cc1[N+](=O)[O-] ZINC000338997740 366605837 /nfs/dbraw/zinc/60/58/37/366605837.db2.gz ACHVHHWJCDBLFT-UHFFFAOYSA-N 1 2 262.309 2.268 20 5 CEBDLO CCC1(O)CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000339005835 366610288 /nfs/dbraw/zinc/61/02/88/366610288.db2.gz CQJVMFVYTFFGIT-UHFFFAOYSA-N 1 2 280.324 2.037 20 5 CEBDLO CC1(O)CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000177305571 189043371 /nfs/dbraw/zinc/04/33/71/189043371.db2.gz CLKRIMJEOXZFAI-UHFFFAOYSA-N 1 2 256.327 2.003 20 5 CEBDLO CSCCC[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339158802 366682098 /nfs/dbraw/zinc/68/20/98/366682098.db2.gz VJPWEAVZSGRAPJ-UHFFFAOYSA-N 1 2 270.354 2.485 20 5 CEBDLO CSCCC[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339158802 366682106 /nfs/dbraw/zinc/68/21/06/366682106.db2.gz VJPWEAVZSGRAPJ-UHFFFAOYSA-N 1 2 270.354 2.485 20 5 CEBDLO CCC[N@H+](CC(=O)OC)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000178872082 189152078 /nfs/dbraw/zinc/15/20/78/189152078.db2.gz JEZNTFAYLCGPNM-UHFFFAOYSA-N 1 2 280.324 2.288 20 5 CEBDLO CCC[N@@H+](CC(=O)OC)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000178872082 189152079 /nfs/dbraw/zinc/15/20/79/189152079.db2.gz JEZNTFAYLCGPNM-UHFFFAOYSA-N 1 2 280.324 2.288 20 5 CEBDLO CC[C@H]1COCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000115575786 365016413 /nfs/dbraw/zinc/01/64/13/365016413.db2.gz OMOWCQJDMZNKRL-LBPRGKRZSA-N 1 2 280.324 2.084 20 5 CEBDLO CC[C@H]1COCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000115575786 365016415 /nfs/dbraw/zinc/01/64/15/365016415.db2.gz OMOWCQJDMZNKRL-LBPRGKRZSA-N 1 2 280.324 2.084 20 5 CEBDLO Cc1cccc(N(C)Cc2[nH+]ccn2C)c1[N+](=O)[O-] ZINC000275508854 193062441 /nfs/dbraw/zinc/06/24/41/193062441.db2.gz UQAJECBZZNSVJQ-UHFFFAOYSA-N 1 2 260.297 2.273 20 5 CEBDLO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ncn(C)n2)cc1[N+](=O)[O-] ZINC000275726817 193115061 /nfs/dbraw/zinc/11/50/61/193115061.db2.gz ONHKJPFRWVQVLY-GHMZBOCLSA-N 1 2 289.339 2.444 20 5 CEBDLO C[C@@H]1COCCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000586767973 367187915 /nfs/dbraw/zinc/18/79/15/367187915.db2.gz OMYDJZMCZKOMPO-SECBINFHSA-N 1 2 286.278 2.484 20 5 CEBDLO C[C@@H]1COCCC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000586767973 367187921 /nfs/dbraw/zinc/18/79/21/367187921.db2.gz OMYDJZMCZKOMPO-SECBINFHSA-N 1 2 286.278 2.484 20 5 CEBDLO CC1(C)C[N@H+](CCNc2cccc(F)c2[N+](=O)[O-])CCO1 ZINC000170640420 367390055 /nfs/dbraw/zinc/39/00/55/367390055.db2.gz WHMGSOQXHZMAPY-UHFFFAOYSA-N 1 2 297.330 2.257 20 5 CEBDLO CC1(C)C[N@@H+](CCNc2cccc(F)c2[N+](=O)[O-])CCO1 ZINC000170640420 367390061 /nfs/dbraw/zinc/39/00/61/367390061.db2.gz WHMGSOQXHZMAPY-UHFFFAOYSA-N 1 2 297.330 2.257 20 5 CEBDLO CC[C@@H]([NH2+]Cc1nnc(C)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000358047805 370883778 /nfs/dbraw/zinc/88/37/78/370883778.db2.gz OFLABRHFZKRAKY-GFCCVEGCSA-N 1 2 275.312 2.262 20 5 CEBDLO COC(=O)[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000183250616 284013013 /nfs/dbraw/zinc/01/30/13/284013013.db2.gz KICZVBXXCNQNQM-ZDUSSCGKSA-N 1 2 278.308 2.041 20 5 CEBDLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000183250616 284013011 /nfs/dbraw/zinc/01/30/11/284013011.db2.gz KICZVBXXCNQNQM-ZDUSSCGKSA-N 1 2 278.308 2.041 20 5 CEBDLO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccoc1 ZINC000345088849 368152401 /nfs/dbraw/zinc/15/24/01/368152401.db2.gz FHGJRDQKLZBHBB-UHFFFAOYSA-N 1 2 289.291 2.258 20 5 CEBDLO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccoc1 ZINC000345088849 368152411 /nfs/dbraw/zinc/15/24/11/368152411.db2.gz FHGJRDQKLZBHBB-UHFFFAOYSA-N 1 2 289.291 2.258 20 5 CEBDLO Cc1nnc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000181830546 368498669 /nfs/dbraw/zinc/49/86/69/368498669.db2.gz PXUFWDLUCANVLE-SECBINFHSA-N 1 2 276.296 2.445 20 5 CEBDLO Cc1[nH+]ccn1CCN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000346319368 368634620 /nfs/dbraw/zinc/63/46/20/368634620.db2.gz XLAZWYBRGNVGKC-UHFFFAOYSA-N 1 2 286.335 2.158 20 5 CEBDLO Cc1nccn1CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000346319368 368634625 /nfs/dbraw/zinc/63/46/25/368634625.db2.gz XLAZWYBRGNVGKC-UHFFFAOYSA-N 1 2 286.335 2.158 20 5 CEBDLO Cc1nccn1CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000346319368 368634627 /nfs/dbraw/zinc/63/46/27/368634627.db2.gz XLAZWYBRGNVGKC-UHFFFAOYSA-N 1 2 286.335 2.158 20 5 CEBDLO Cc1nn(Cc2ccc(C)[nH+]c2C)c(C)c1[N+](=O)[O-] ZINC000185251453 368776095 /nfs/dbraw/zinc/77/60/95/368776095.db2.gz HOSVCNJUHBRQBP-UHFFFAOYSA-N 1 2 260.297 2.468 20 5 CEBDLO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](C)Cn1cc[nH+]c1 ZINC000192507605 369821730 /nfs/dbraw/zinc/82/17/30/369821730.db2.gz CRBROXHRMSGYFN-SNVBAGLBSA-N 1 2 292.343 2.064 20 5 CEBDLO COC(=O)[C@H]1CCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255005414 371548043 /nfs/dbraw/zinc/54/80/43/371548043.db2.gz GOSGKOUFKRDZCC-HJHHMULASA-N 1 2 290.319 2.245 20 5 CEBDLO COC(=O)[C@H]1CCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255005414 371548048 /nfs/dbraw/zinc/54/80/48/371548048.db2.gz GOSGKOUFKRDZCC-HJHHMULASA-N 1 2 290.319 2.245 20 5 CEBDLO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ncnn2C)cc1[N+](=O)[O-] ZINC000353307171 220019822 /nfs/dbraw/zinc/01/98/22/220019822.db2.gz RBIUQKMAFWFCHD-QWRGUYRKSA-N 1 2 289.339 2.444 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000361659477 372010310 /nfs/dbraw/zinc/01/03/10/372010310.db2.gz HVTGKONHDMHWRR-HRBWSGTNSA-N 1 2 296.392 2.245 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000361659477 372010317 /nfs/dbraw/zinc/01/03/17/372010317.db2.gz HVTGKONHDMHWRR-HRBWSGTNSA-N 1 2 296.392 2.245 20 5 CEBDLO O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3cccc[nH+]3)C2)nc1 ZINC000269897909 372592326 /nfs/dbraw/zinc/59/23/26/372592326.db2.gz YDVFOSZJCYUNOX-LLVKDONJSA-N 1 2 285.307 2.076 20 5 CEBDLO Cc1nc2n(n1)CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000271203368 373179278 /nfs/dbraw/zinc/17/92/78/373179278.db2.gz VEDNPEMMRNHLNC-GQCTYLIASA-N 1 2 299.334 2.024 20 5 CEBDLO Cc1nc2n(n1)CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000271203368 373179290 /nfs/dbraw/zinc/17/92/90/373179290.db2.gz VEDNPEMMRNHLNC-GQCTYLIASA-N 1 2 299.334 2.024 20 5 CEBDLO Cc1ccc(C[N@H+](C)Cc2cc[nH]n2)cc1[N+](=O)[O-] ZINC000353578991 220170468 /nfs/dbraw/zinc/17/04/68/220170468.db2.gz WHANBCOBALKNAP-UHFFFAOYSA-N 1 2 260.297 2.258 20 5 CEBDLO Cc1ccc(C[N@@H+](C)Cc2cc[nH]n2)cc1[N+](=O)[O-] ZINC000353578991 220170471 /nfs/dbraw/zinc/17/04/71/220170471.db2.gz WHANBCOBALKNAP-UHFFFAOYSA-N 1 2 260.297 2.258 20 5 CEBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H]2c2nccs2)n1 ZINC000370028411 373561089 /nfs/dbraw/zinc/56/10/89/373561089.db2.gz QDWBZQKBUKJBFJ-JTQLQIEISA-N 1 2 293.352 2.085 20 5 CEBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H]2c2nccs2)n1 ZINC000370028411 373561099 /nfs/dbraw/zinc/56/10/99/373561099.db2.gz QDWBZQKBUKJBFJ-JTQLQIEISA-N 1 2 293.352 2.085 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000277353152 374489458 /nfs/dbraw/zinc/48/94/58/374489458.db2.gz DNBITNQWEVGUEA-FKIZINRSSA-N 1 2 296.392 2.246 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000277353152 374489465 /nfs/dbraw/zinc/48/94/65/374489465.db2.gz DNBITNQWEVGUEA-FKIZINRSSA-N 1 2 296.392 2.246 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC[C@@H]2CC(F)F)cc1 ZINC000286484529 375969799 /nfs/dbraw/zinc/96/97/99/375969799.db2.gz OPBXQSMTCKELKG-LBPRGKRZSA-N 1 2 286.278 2.451 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCOC[C@@H]2CC(F)F)cc1 ZINC000286484529 375969802 /nfs/dbraw/zinc/96/98/02/375969802.db2.gz OPBXQSMTCKELKG-LBPRGKRZSA-N 1 2 286.278 2.451 20 5 CEBDLO C[C@@H](Nc1ccc(F)cc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000264289233 190101698 /nfs/dbraw/zinc/10/16/98/190101698.db2.gz QAYNKGXBUYOCCY-MNOVXSKESA-N 1 2 297.330 2.255 20 5 CEBDLO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330458864 377143367 /nfs/dbraw/zinc/14/33/67/377143367.db2.gz PPONLJADWWJCJV-YPMHNXCESA-N 1 2 294.351 2.426 20 5 CEBDLO C[C@@H](O)C[C@@H]1CCCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330458864 377143379 /nfs/dbraw/zinc/14/33/79/377143379.db2.gz PPONLJADWWJCJV-YPMHNXCESA-N 1 2 294.351 2.426 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](C)[C@H]1C ZINC000293172062 377457407 /nfs/dbraw/zinc/45/74/07/377457407.db2.gz WEPKVQXTWMYUHW-WDEREUQCSA-N 1 2 277.324 2.182 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C)[C@H]1C ZINC000293172062 377457412 /nfs/dbraw/zinc/45/74/12/377457412.db2.gz WEPKVQXTWMYUHW-WDEREUQCSA-N 1 2 277.324 2.182 20 5 CEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)[C@H]1C ZINC000293362353 377537630 /nfs/dbraw/zinc/53/76/30/377537630.db2.gz INEZMIKQTXNQTC-MXWKQRLJSA-N 1 2 277.324 2.262 20 5 CEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)[C@H]1C ZINC000293362353 377537632 /nfs/dbraw/zinc/53/76/32/377537632.db2.gz INEZMIKQTXNQTC-MXWKQRLJSA-N 1 2 277.324 2.262 20 5 CEBDLO Cc1ccnc(NC[C@H](C)Cn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000265172609 190163512 /nfs/dbraw/zinc/16/35/12/190163512.db2.gz HLLPIIASAMSVRF-JTQLQIEISA-N 1 2 275.312 2.243 20 5 CEBDLO Cc1c[nH+]c(C)nc1NCCc1cccc([N+](=O)[O-])c1 ZINC000566039979 377711608 /nfs/dbraw/zinc/71/16/08/377711608.db2.gz PUZSKLWQCISIBO-UHFFFAOYSA-N 1 2 272.308 2.078 20 5 CEBDLO Nc1ncccc1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000450484630 378444930 /nfs/dbraw/zinc/44/49/30/378444930.db2.gz LTOBNHFBWAEOMD-UHFFFAOYSA-N 1 2 284.319 2.130 20 5 CEBDLO Nc1ncccc1C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000450484630 378444936 /nfs/dbraw/zinc/44/49/36/378444936.db2.gz LTOBNHFBWAEOMD-UHFFFAOYSA-N 1 2 284.319 2.130 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000299078357 378893683 /nfs/dbraw/zinc/89/36/83/378893683.db2.gz DQRIAOJECIFSEM-ZFWWWQNUSA-N 1 2 292.335 2.357 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000299078357 378893692 /nfs/dbraw/zinc/89/36/92/378893692.db2.gz DQRIAOJECIFSEM-ZFWWWQNUSA-N 1 2 292.335 2.357 20 5 CEBDLO Cc1ccc(CCNc2ncccc2[N+](=O)[O-])c[nH+]1 ZINC000301265410 379240046 /nfs/dbraw/zinc/24/00/46/379240046.db2.gz PMKFOMBMMPGEEN-UHFFFAOYSA-N 1 2 258.281 2.348 20 5 CEBDLO C[C@@H]1C[N@@H+](CCSc2ncccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000516785737 379313703 /nfs/dbraw/zinc/31/37/03/379313703.db2.gz UOYKUMSLTUCJGG-PHIMTYICSA-N 1 2 297.380 2.191 20 5 CEBDLO C[C@@H]1C[N@H+](CCSc2ncccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000516785737 379313709 /nfs/dbraw/zinc/31/37/09/379313709.db2.gz UOYKUMSLTUCJGG-PHIMTYICSA-N 1 2 297.380 2.191 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@H]3CCC[C@H]32)c(F)c1 ZINC000267043555 190299452 /nfs/dbraw/zinc/29/94/52/190299452.db2.gz PIABXZOULNBVMY-KGLIPLIRSA-N 1 2 280.299 2.487 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@H]3CCC[C@H]32)c(F)c1 ZINC000267043555 190299453 /nfs/dbraw/zinc/29/94/53/190299453.db2.gz PIABXZOULNBVMY-KGLIPLIRSA-N 1 2 280.299 2.487 20 5 CEBDLO Cn1c[nH+]cc1CNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000574633730 299513236 /nfs/dbraw/zinc/51/32/36/299513236.db2.gz INIPWUAMDIQMLK-UHFFFAOYSA-N 1 2 287.323 2.214 20 5 CEBDLO Cc1nnc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)o1 ZINC000541688321 380277453 /nfs/dbraw/zinc/27/74/53/380277453.db2.gz QFMGPZJFGPHEHG-MRVPVSSYSA-N 1 2 262.269 2.137 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1[C@H](C)C[C@@H]1C ZINC000548425486 380516843 /nfs/dbraw/zinc/51/68/43/380516843.db2.gz LTQUOJDTIUWAPU-PHIMTYICSA-N 1 2 277.324 2.324 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1[C@H](C)C[C@@H]1C ZINC000548425486 380516847 /nfs/dbraw/zinc/51/68/47/380516847.db2.gz LTQUOJDTIUWAPU-PHIMTYICSA-N 1 2 277.324 2.324 20 5 CEBDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000070979369 184572989 /nfs/dbraw/zinc/57/29/89/184572989.db2.gz HTPDPXUBMAAIRM-UHFFFAOYSA-N 1 2 294.698 2.244 20 5 CEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCO[C@@H](CF)C3)c2c1 ZINC000413481804 285147847 /nfs/dbraw/zinc/14/78/47/285147847.db2.gz XLBMCOBMMNWWPD-LBPRGKRZSA-N 1 2 291.282 2.318 20 5 CEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC(CO)CC3)c2c1 ZINC000413055828 394475931 /nfs/dbraw/zinc/47/59/31/394475931.db2.gz BSVMUKDEWYCSAQ-UHFFFAOYSA-N 1 2 287.319 2.352 20 5 CEBDLO Cn1cc[nH+]c1[C@@H](Nc1ncc([N+](=O)[O-])cc1F)C1CC1 ZINC000413282729 394518740 /nfs/dbraw/zinc/51/87/40/394518740.db2.gz QIWYDJNFQZEFAX-NSHDSACASA-N 1 2 291.286 2.426 20 5 CEBDLO CC(C)OC(=O)[C@@H](C)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000129800448 394874461 /nfs/dbraw/zinc/87/44/61/394874461.db2.gz OJDVBVYZPCUSSE-GFCCVEGCSA-N 1 2 294.351 2.409 20 5 CEBDLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000129800448 394874465 /nfs/dbraw/zinc/87/44/65/394874465.db2.gz OJDVBVYZPCUSSE-GFCCVEGCSA-N 1 2 294.351 2.409 20 5 CEBDLO CC(C)c1ccc(C[N@@H+]2CCC[C@@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000179580888 395197000 /nfs/dbraw/zinc/19/70/00/395197000.db2.gz ZHGQFKGPLNNSLO-CYBMUJFWSA-N 1 2 291.351 2.168 20 5 CEBDLO CC(C)c1ccc(C[N@H+]2CCC[C@@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000179580888 395197002 /nfs/dbraw/zinc/19/70/02/395197002.db2.gz ZHGQFKGPLNNSLO-CYBMUJFWSA-N 1 2 291.351 2.168 20 5 CEBDLO CCn1nc(C)c(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000296316596 395316932 /nfs/dbraw/zinc/31/69/32/395316932.db2.gz GYXLHWLIHBYQTC-SNVBAGLBSA-N 1 2 289.339 2.365 20 5 CEBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@H](F)C1 ZINC000451191341 395591214 /nfs/dbraw/zinc/59/12/14/395591214.db2.gz RDBABBPNSBALGW-JTQLQIEISA-N 1 2 254.261 2.017 20 5 CEBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@H](F)C1 ZINC000451191341 395591215 /nfs/dbraw/zinc/59/12/15/395591215.db2.gz RDBABBPNSBALGW-JTQLQIEISA-N 1 2 254.261 2.017 20 5 CEBDLO Cc1nc(N[C@H](C)c2cccc([N+](=O)[O-])c2)cc[nH+]1 ZINC000360518859 155318135 /nfs/dbraw/zinc/31/81/35/155318135.db2.gz ZPNIEXZKOCCUNR-SECBINFHSA-N 1 2 258.281 2.288 20 5 CEBDLO CCn1cc[nH+]c1CSc1ncccc1[N+](=O)[O-] ZINC000195517529 153290255 /nfs/dbraw/zinc/29/02/55/153290255.db2.gz ZSABIUJIUYVNKY-UHFFFAOYSA-N 1 2 264.310 2.499 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@@H](C3CC3)C2)cc1F ZINC000366969660 156108722 /nfs/dbraw/zinc/10/87/22/156108722.db2.gz MLQAUCLGXJDBII-CQSZACIVSA-N 1 2 280.299 2.345 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@@H](C3CC3)C2)cc1F ZINC000366969660 156108726 /nfs/dbraw/zinc/10/87/26/156108726.db2.gz MLQAUCLGXJDBII-CQSZACIVSA-N 1 2 280.299 2.345 20 5 CEBDLO Cc1cc(C[N@H+](C)CCOc2cccc([N+](=O)[O-])c2)no1 ZINC000046062455 175391382 /nfs/dbraw/zinc/39/13/82/175391382.db2.gz SEXVOKVUSWVSOJ-UHFFFAOYSA-N 1 2 291.307 2.402 20 5 CEBDLO Cc1cc(C[N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)no1 ZINC000046062455 175391383 /nfs/dbraw/zinc/39/13/83/175391383.db2.gz SEXVOKVUSWVSOJ-UHFFFAOYSA-N 1 2 291.307 2.402 20 5 CEBDLO O=[N+]([O-])c1ccc(OCCOc2cc[nH+]cc2)cc1 ZINC000356103717 228121576 /nfs/dbraw/zinc/12/15/76/228121576.db2.gz ZGSGSUKMWMDYHK-UHFFFAOYSA-N 1 2 260.249 2.448 20 5 CEBDLO C[C@H]1CCN(c2ccc([N+](=O)[O-])cn2)C[C@@H]1n1cc[nH+]c1 ZINC000134043470 279728946 /nfs/dbraw/zinc/72/89/46/279728946.db2.gz VEOQWSICBVWUFQ-AAEUAGOBSA-N 1 2 287.323 2.274 20 5 CEBDLO C[C@]1([NH3+])CCCC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000423717678 281081786 /nfs/dbraw/zinc/08/17/86/281081786.db2.gz ANTPBZFQGQJDMJ-YGRLFVJLSA-N 1 2 293.323 2.147 20 5 CEBDLO Cc1c[nH+]ccc1NC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000446036921 281720855 /nfs/dbraw/zinc/72/08/55/281720855.db2.gz WOXAWVHVVHHWMV-UHFFFAOYSA-N 1 2 271.276 2.281 20 5 CEBDLO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000348289405 289006619 /nfs/dbraw/zinc/00/66/19/289006619.db2.gz XFJIWBPUBFKTLD-HTQZYQBOSA-N 1 2 292.261 2.101 20 5 CEBDLO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000348289405 289006622 /nfs/dbraw/zinc/00/66/22/289006622.db2.gz XFJIWBPUBFKTLD-HTQZYQBOSA-N 1 2 292.261 2.101 20 5 CEBDLO CC(C)[NH+]1CC(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000457717124 289816554 /nfs/dbraw/zinc/81/65/54/289816554.db2.gz HYWOFPNFLYTFFI-UHFFFAOYSA-N 1 2 297.742 2.071 20 5 CEBDLO COCCCOC1C[NH+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000459589201 290187724 /nfs/dbraw/zinc/18/77/24/290187724.db2.gz HHNLNZYZNKRSQG-UHFFFAOYSA-N 1 2 294.351 2.141 20 5 CEBDLO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccn(C)n1 ZINC000459799306 290244962 /nfs/dbraw/zinc/24/49/62/290244962.db2.gz VKDRTWUWCIIIIF-SNVBAGLBSA-N 1 2 260.297 2.179 20 5 CEBDLO O=C(CCC1CC[NH2+]CC1)Nc1cc([N+](=O)[O-])ccc1O ZINC000236580863 303577852 /nfs/dbraw/zinc/57/78/52/303577852.db2.gz DKWCUMPJVXUCPE-UHFFFAOYSA-N 1 2 293.323 2.019 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1[C@@H](C)C[C@@H]1C ZINC000548098289 313553556 /nfs/dbraw/zinc/55/35/56/313553556.db2.gz MJMJPBNMZXZYCG-QWRGUYRKSA-N 1 2 277.324 2.324 20 5 CEBDLO Cc1sc(C(=O)N2CC[N@@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000577195199 314351527 /nfs/dbraw/zinc/35/15/27/314351527.db2.gz QNXTZZQBURCFOC-UHFFFAOYSA-N 1 2 297.380 2.131 20 5 CEBDLO Cc1sc(C(=O)N2CC[N@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000577195199 314351528 /nfs/dbraw/zinc/35/15/28/314351528.db2.gz QNXTZZQBURCFOC-UHFFFAOYSA-N 1 2 297.380 2.131 20 5 CEBDLO Nc1ncc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)s1 ZINC000560558660 327324807 /nfs/dbraw/zinc/32/48/07/327324807.db2.gz FMQPHBJDHYVXQW-UHFFFAOYSA-N 1 2 290.348 2.022 20 5 CEBDLO Nc1ncc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)s1 ZINC000560558660 327324808 /nfs/dbraw/zinc/32/48/08/327324808.db2.gz FMQPHBJDHYVXQW-UHFFFAOYSA-N 1 2 290.348 2.022 20 5 CEBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](Cc3nccs3)C2)c1 ZINC000369014715 527415628 /nfs/dbraw/zinc/41/56/28/527415628.db2.gz BGGOQCAWQAXJES-SNVBAGLBSA-N 1 2 293.352 2.085 20 5 CEBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](Cc3nccs3)C2)c1 ZINC000369014715 527415634 /nfs/dbraw/zinc/41/56/34/527415634.db2.gz BGGOQCAWQAXJES-SNVBAGLBSA-N 1 2 293.352 2.085 20 5 CEBDLO COCCCOC1C[NH+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000748046451 575177847 /nfs/dbraw/zinc/17/78/47/575177847.db2.gz GVLVAJZBHDTHCZ-UHFFFAOYSA-N 1 2 294.351 2.141 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@H](CF)C1 ZINC000880237062 629587573 /nfs/dbraw/zinc/58/75/73/629587573.db2.gz PJHUAWYCVNUMFA-JTQLQIEISA-N 1 2 268.288 2.482 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@H](CF)C1 ZINC000880237062 629587576 /nfs/dbraw/zinc/58/75/76/629587576.db2.gz PJHUAWYCVNUMFA-JTQLQIEISA-N 1 2 268.288 2.482 20 5 CEBDLO CC[C@@H](C[NH+]1CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000895804722 630355387 /nfs/dbraw/zinc/35/53/87/630355387.db2.gz WBRDDOQCLOLJNW-LBPRGKRZSA-N 1 2 279.340 2.118 20 5 CEBDLO Nc1ccc(NCCNc2cccc[nH+]2)c([N+](=O)[O-])c1 ZINC000804329769 631664688 /nfs/dbraw/zinc/66/46/88/631664688.db2.gz VWNZARZUNIYHSS-UHFFFAOYSA-N 1 2 273.296 2.096 20 5 CEBDLO Cn1cnc(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000898041915 632034204 /nfs/dbraw/zinc/03/42/04/632034204.db2.gz DUBTWTJWSUBONG-UHFFFAOYSA-N 1 2 280.715 2.272 20 5 CEBDLO C[C@@H]([NH2+][C@@H](C)c1cnn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000924800572 635708487 /nfs/dbraw/zinc/70/84/87/635708487.db2.gz YXMWPIKEYWAGRT-ZJUUUORDSA-N 1 2 275.312 2.135 20 5 CEBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[NH+]1C2CCC1CC2 ZINC000913057951 639196095 /nfs/dbraw/zinc/19/60/95/639196095.db2.gz GKNCBQNMYAGFAP-UHFFFAOYSA-N 1 2 289.291 2.087 20 5 CEBDLO CC[C@H]1C[N@H+](Cn2nc(C)c([N+](=O)[O-])c2C)CCS1 ZINC000173505247 639862726 /nfs/dbraw/zinc/86/27/26/639862726.db2.gz RAMKQTGNJCAWBD-NSHDSACASA-N 1 2 284.385 2.193 20 5 CEBDLO CC[C@H]1C[N@@H+](Cn2nc(C)c([N+](=O)[O-])c2C)CCS1 ZINC000173505247 639862732 /nfs/dbraw/zinc/86/27/32/639862732.db2.gz RAMKQTGNJCAWBD-NSHDSACASA-N 1 2 284.385 2.193 20 5 CEBDLO Cc1nn(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC000844751891 640827011 /nfs/dbraw/zinc/82/70/11/640827011.db2.gz WRNCMFJKBSJJLW-NSHDSACASA-N 1 2 286.282 2.178 20 5 CEBDLO Cc1nn(C[N@H+]2CCC[C@]3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC000844751891 640827015 /nfs/dbraw/zinc/82/70/15/640827015.db2.gz WRNCMFJKBSJJLW-NSHDSACASA-N 1 2 286.282 2.178 20 5 CEBDLO Cn1nc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1C1CC1 ZINC000922954714 643478473 /nfs/dbraw/zinc/47/84/73/643478473.db2.gz MOJDCAGOIZRXBZ-UHFFFAOYSA-N 1 2 286.335 2.496 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C(C)=O)CC1 ZINC000111690543 643933878 /nfs/dbraw/zinc/93/38/78/643933878.db2.gz RCJZYJRZOCEPCH-UHFFFAOYSA-N 1 2 292.335 2.404 20 5 CEBDLO CC(C)OC[C@H]([NH3+])c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000854150714 643999148 /nfs/dbraw/zinc/99/91/48/643999148.db2.gz VSYYZDYYLKMORY-ZETCQYMHSA-N 1 2 298.324 2.131 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000877742028 650885458 /nfs/dbraw/zinc/88/54/58/650885458.db2.gz XGSAPHVHHLREIX-PWSUYJOCSA-N 1 2 294.376 2.485 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000877742028 650885460 /nfs/dbraw/zinc/88/54/60/650885460.db2.gz XGSAPHVHHLREIX-PWSUYJOCSA-N 1 2 294.376 2.485 20 5 CEBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2cc[nH]n2)cc1Cl ZINC000761523597 645293642 /nfs/dbraw/zinc/29/36/42/645293642.db2.gz VNBQZXYDTYSXOX-UHFFFAOYSA-N 1 2 266.688 2.261 20 5 CEBDLO C[C@@H]1CCOCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000769788794 646315707 /nfs/dbraw/zinc/31/57/07/646315707.db2.gz ZCMGMALAXRBFSN-SNVBAGLBSA-N 1 2 290.323 2.082 20 5 CEBDLO C[C@@H]1CCOCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000769788794 646315711 /nfs/dbraw/zinc/31/57/11/646315711.db2.gz ZCMGMALAXRBFSN-SNVBAGLBSA-N 1 2 290.323 2.082 20 5 CEBDLO C[N@H+](CC[N+](=O)[O-])Cc1ccccc1OC(F)(F)F ZINC000791053377 648476085 /nfs/dbraw/zinc/47/60/85/648476085.db2.gz LKXIPLCKFBGDOU-UHFFFAOYSA-N 1 2 278.230 2.294 20 5 CEBDLO C[N@@H+](CC[N+](=O)[O-])Cc1ccccc1OC(F)(F)F ZINC000791053377 648476088 /nfs/dbraw/zinc/47/60/88/648476088.db2.gz LKXIPLCKFBGDOU-UHFFFAOYSA-N 1 2 278.230 2.294 20 5 CEBDLO Cc1sc(C(=O)OCc2cc[nH+]c(N)c2)cc1[N+](=O)[O-] ZINC000791689277 648555979 /nfs/dbraw/zinc/55/59/79/648555979.db2.gz ZAKBMUQLEQGOAS-UHFFFAOYSA-N 1 2 293.304 2.299 20 5 CEBDLO Cc1cccc(C[N@H+](C)Cn2cc([N+](=O)[O-])cn2)c1C ZINC000793567340 648778028 /nfs/dbraw/zinc/77/80/28/648778028.db2.gz FAVMIMOPHGHIKU-UHFFFAOYSA-N 1 2 274.324 2.498 20 5 CEBDLO Cc1cccc(C[N@@H+](C)Cn2cc([N+](=O)[O-])cn2)c1C ZINC000793567340 648778029 /nfs/dbraw/zinc/77/80/29/648778029.db2.gz FAVMIMOPHGHIKU-UHFFFAOYSA-N 1 2 274.324 2.498 20 5 CEBDLO C[C@H]([NH2+]Cc1cncn1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872072823 649262798 /nfs/dbraw/zinc/26/27/98/649262798.db2.gz KFWJSQKKYPMHFZ-VIFPVBQESA-N 1 2 278.287 2.318 20 5 CEBDLO CN1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)Cc2cccnc21 ZINC000872265828 649333746 /nfs/dbraw/zinc/33/37/46/649333746.db2.gz XCFHYBBTULARBH-UHFFFAOYSA-N 1 2 298.346 2.442 20 5 CEBDLO CN1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)Cc2cccnc21 ZINC000872265828 649333748 /nfs/dbraw/zinc/33/37/48/649333748.db2.gz XCFHYBBTULARBH-UHFFFAOYSA-N 1 2 298.346 2.442 20 5 CEBDLO Cc1c(C[NH2+][C@H]2C[C@H](C)n3ncnc32)cccc1[N+](=O)[O-] ZINC000873135870 649566889 /nfs/dbraw/zinc/56/68/89/649566889.db2.gz OXQBGUSFEIESNC-CABZTGNLSA-N 1 2 287.323 2.290 20 5 CEBDLO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cn(C)cn1 ZINC000709961736 809977232 /nfs/dbraw/zinc/97/72/32/809977232.db2.gz HFAJTFAEXZGVMT-JTQLQIEISA-N 1 2 260.297 2.179 20 5 CEBDLO O=[N+]([O-])c1cnn(C[NH+]2CCC(c3ccccn3)CC2)c1 ZINC000753973210 814109918 /nfs/dbraw/zinc/10/99/18/814109918.db2.gz TWTCTKIQHQUDQE-UHFFFAOYSA-N 1 2 287.323 2.023 20 5 CEBDLO CCC[C@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC001173220279 815626254 /nfs/dbraw/zinc/62/62/54/815626254.db2.gz XGUOMVZOJNSWOM-FZMZJTMJSA-N 1 2 294.351 2.457 20 5 CEBDLO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1Cc2cnn(C)c2C1 ZINC001173225781 815629248 /nfs/dbraw/zinc/62/92/48/815629248.db2.gz GEEYSKYFGZZZNA-NSHDSACASA-N 1 2 286.335 2.275 20 5 CEBDLO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1Cc2cnn(C)c2C1 ZINC001173225781 815629249 /nfs/dbraw/zinc/62/92/49/815629249.db2.gz GEEYSKYFGZZZNA-NSHDSACASA-N 1 2 286.335 2.275 20 5 CEBDLO C[C@H](C[NH+]1CCOCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000042252060 362074114 /nfs/dbraw/zinc/07/41/14/362074114.db2.gz YKRXYMJFEJUNPV-SNVBAGLBSA-N 1 2 299.758 2.381 20 5 CEBDLO Cc1cc(C[NH2+]Cc2csc([N+](=O)[O-])c2)no1 ZINC000044693254 343476721 /nfs/dbraw/zinc/47/67/21/343476721.db2.gz ZFSUQJAFGGQVIK-UHFFFAOYSA-N 1 2 253.283 2.243 20 5 CEBDLO CCN(CC)C(=O)C[N@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000050508080 343545095 /nfs/dbraw/zinc/54/50/95/343545095.db2.gz IYXVREZOASIZJZ-GFCCVEGCSA-N 1 2 293.367 2.456 20 5 CEBDLO CCN(CC)C(=O)C[N@@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000050508080 343545096 /nfs/dbraw/zinc/54/50/96/343545096.db2.gz IYXVREZOASIZJZ-GFCCVEGCSA-N 1 2 293.367 2.456 20 5 CEBDLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1cc([N+](=O)[O-])c[nH]1 ZINC000056866845 343621391 /nfs/dbraw/zinc/62/13/91/343621391.db2.gz VAYDFMWTZKHJDF-UHFFFAOYSA-N 1 2 297.274 2.361 20 5 CEBDLO CN(Cc1ccc(N)[nH+]c1)c1c(F)cc([N+](=O)[O-])cc1F ZINC000127121269 187284511 /nfs/dbraw/zinc/28/45/11/187284511.db2.gz NEZPQTWQHSOFTO-UHFFFAOYSA-N 1 2 294.261 2.487 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000091978625 344174756 /nfs/dbraw/zinc/17/47/56/344174756.db2.gz NMDOZKDVFYKFCM-LSDHHAIUSA-N 1 2 292.335 2.444 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000091978625 344174757 /nfs/dbraw/zinc/17/47/57/344174757.db2.gz NMDOZKDVFYKFCM-LSDHHAIUSA-N 1 2 292.335 2.444 20 5 CEBDLO C[C@@H]([NH2+]Cc1cnns1)c1ccccc1[N+](=O)[O-] ZINC000400264634 344861375 /nfs/dbraw/zinc/86/13/75/344861375.db2.gz NOJFZZIJMFBAJC-MRVPVSSYSA-N 1 2 264.310 2.297 20 5 CEBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCN3CC(F)(F)C[C@H]3C2)c1 ZINC000592130047 345327907 /nfs/dbraw/zinc/32/79/07/345327907.db2.gz MZCFIZWCFJHIMQ-ZDUSSCGKSA-N 1 2 297.305 2.120 20 5 CEBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCN3CC(F)(F)C[C@H]3C2)c1 ZINC000592130047 345327909 /nfs/dbraw/zinc/32/79/09/345327909.db2.gz MZCFIZWCFJHIMQ-ZDUSSCGKSA-N 1 2 297.305 2.120 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000593736352 345530443 /nfs/dbraw/zinc/53/04/43/345530443.db2.gz HPARAGCDFMKCPW-UHFFFAOYSA-N 1 2 288.307 2.291 20 5 CEBDLO CCn1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)nn1 ZINC000595069711 345739277 /nfs/dbraw/zinc/73/92/77/345739277.db2.gz QXHXNXFZQUVHQJ-LLVKDONJSA-N 1 2 289.339 2.365 20 5 CEBDLO COC(=O)C1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595288079 345754297 /nfs/dbraw/zinc/75/42/97/345754297.db2.gz YCFDIPRDZCTSPU-UHFFFAOYSA-N 1 2 296.298 2.119 20 5 CEBDLO Cc1c[nH]c(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000594925605 345704146 /nfs/dbraw/zinc/70/41/46/345704146.db2.gz OXDNDMVLEWPEQL-SNVBAGLBSA-N 1 2 260.297 2.477 20 5 CEBDLO CC[C@H]1C[NH+](Cc2onc(C)c2[N+](=O)[O-])C[C@H](CC)O1 ZINC000595549911 345809719 /nfs/dbraw/zinc/80/97/19/345809719.db2.gz FTZOWQMTOQDRJO-QWRGUYRKSA-N 1 2 283.328 2.281 20 5 CEBDLO CN(Cc1c[nH+]c[nH]1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595591188 345819863 /nfs/dbraw/zinc/81/98/63/345819863.db2.gz GDKLPUZKRJLREA-UHFFFAOYSA-N 1 2 264.260 2.089 20 5 CEBDLO CN(Cc1c[nH]c[nH+]1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595591188 345819864 /nfs/dbraw/zinc/81/98/64/345819864.db2.gz GDKLPUZKRJLREA-UHFFFAOYSA-N 1 2 264.260 2.089 20 5 CEBDLO Cc1noc(C[NH2+][C@H](CCO)c2ccccc2)c1[N+](=O)[O-] ZINC000595411425 345776729 /nfs/dbraw/zinc/77/67/29/345776729.db2.gz PQYOCWSOTZNUNX-GFCCVEGCSA-N 1 2 291.307 2.105 20 5 CEBDLO C[C@@H](CO)[C@@H]1CCCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000595674588 345845356 /nfs/dbraw/zinc/84/53/56/345845356.db2.gz LUKAVKWFWKPAAY-FZMZJTMJSA-N 1 2 294.351 2.283 20 5 CEBDLO C[C@@H](CO)[C@@H]1CCCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000595674588 345845359 /nfs/dbraw/zinc/84/53/59/345845359.db2.gz LUKAVKWFWKPAAY-FZMZJTMJSA-N 1 2 294.351 2.283 20 5 CEBDLO Cc1cc(N[C@H](C)[C@@H](C)[NH+]2CCOCC2)c([N+](=O)[O-])s1 ZINC000596113942 345942566 /nfs/dbraw/zinc/94/25/66/345942566.db2.gz FPLGLFBITAEEBA-GHMZBOCLSA-N 1 2 299.396 2.486 20 5 CEBDLO Cc1sc(C(=O)N[C@@H](C)c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000598460763 346360377 /nfs/dbraw/zinc/36/03/77/346360377.db2.gz XJPOMVCZMMZYER-ZETCQYMHSA-N 1 2 294.336 2.189 20 5 CEBDLO O=[N+]([O-])c1c(N[C@H]2C[C@H](O)C2)ccc2c[nH+]ccc21 ZINC000599112192 346461621 /nfs/dbraw/zinc/46/16/21/346461621.db2.gz VBXUGJGTRAEQKT-MGCOHNPYSA-N 1 2 259.265 2.078 20 5 CEBDLO Cc1[nH]ncc1C[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000602940218 347252393 /nfs/dbraw/zinc/25/23/93/347252393.db2.gz XDKRXGNSUOJZED-UHFFFAOYSA-N 1 2 290.323 2.137 20 5 CEBDLO Cc1[nH]ncc1C[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000602940218 347252394 /nfs/dbraw/zinc/25/23/94/347252394.db2.gz XDKRXGNSUOJZED-UHFFFAOYSA-N 1 2 290.323 2.137 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000602879373 347236330 /nfs/dbraw/zinc/23/63/30/347236330.db2.gz CVIHGEIMISVBAL-ZDUSSCGKSA-N 1 2 288.307 2.361 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000602879373 347236332 /nfs/dbraw/zinc/23/63/32/347236332.db2.gz CVIHGEIMISVBAL-ZDUSSCGKSA-N 1 2 288.307 2.361 20 5 CEBDLO O=[N+]([O-])c1ccc(N2CCC[C@H](n3cc[nH+]c3)C2)cn1 ZINC000609797246 347650954 /nfs/dbraw/zinc/65/09/54/347650954.db2.gz YAXCPSHNUZGLOB-LBPRGKRZSA-N 1 2 273.296 2.028 20 5 CEBDLO CC1(C)[C@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])[C@@H]2CCO[C@H]21 ZINC000610787941 347714863 /nfs/dbraw/zinc/71/48/63/347714863.db2.gz RJNRHXSITFIJCG-IACUBPJLSA-N 1 2 292.335 2.204 20 5 CEBDLO COc1ccc(C[NH2+]CC(C)(F)F)cc1[N+](=O)[O-] ZINC000568539075 299145128 /nfs/dbraw/zinc/14/51/28/299145128.db2.gz RBIVOBQHZAMNFZ-UHFFFAOYSA-N 1 2 260.240 2.348 20 5 CEBDLO COCC1(C[NH+]=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)CCC1 ZINC000336848198 365924517 /nfs/dbraw/zinc/92/45/17/365924517.db2.gz IBWZWZJVHZEGHW-UHFFFAOYSA-N 1 2 290.323 2.122 20 5 CEBDLO O=[N+]([O-])c1cc(Cl)ccc1-n1c[nH+]c(CCCO)c1 ZINC000615942189 348417353 /nfs/dbraw/zinc/41/73/53/348417353.db2.gz BGICXGHSJQHXHU-UHFFFAOYSA-N 1 2 281.699 2.359 20 5 CEBDLO O=[N+]([O-])c1ccc(NC[C@H]2C[N@@H+](C3CC3)CCO2)c(F)c1 ZINC000106369770 186110167 /nfs/dbraw/zinc/11/01/67/186110167.db2.gz MSXXQAGFDAZOHE-LBPRGKRZSA-N 1 2 295.314 2.009 20 5 CEBDLO O=[N+]([O-])c1ccc(NC[C@H]2C[N@H+](C3CC3)CCO2)c(F)c1 ZINC000106369770 186110169 /nfs/dbraw/zinc/11/01/69/186110169.db2.gz MSXXQAGFDAZOHE-LBPRGKRZSA-N 1 2 295.314 2.009 20 5 CEBDLO Cc1[nH+]cccc1Cc1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000291045316 197899728 /nfs/dbraw/zinc/89/97/28/197899728.db2.gz HDDVFRXHWFPNRB-UHFFFAOYSA-N 1 2 290.323 2.352 20 5 CEBDLO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cnccn1 ZINC000070479577 363090900 /nfs/dbraw/zinc/09/09/00/363090900.db2.gz GKAUBAIAJJLETF-SNVBAGLBSA-N 1 2 258.281 2.236 20 5 CEBDLO CCc1nn(C)c(N[C@@H]2C[C@@H](C)n3cc[nH+]c32)c1[N+](=O)[O-] ZINC000450835695 282793686 /nfs/dbraw/zinc/79/36/86/282793686.db2.gz XQKLTLSQODKUCR-PSASIEDQSA-N 1 2 290.327 2.205 20 5 CEBDLO C[N@@H+](Cc1cscn1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000137001819 366533562 /nfs/dbraw/zinc/53/35/62/366533562.db2.gz WECKGCJUEZEBKT-CYBMUJFWSA-N 1 2 293.348 2.217 20 5 CEBDLO C[N@H+](Cc1cscn1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000137001819 366533566 /nfs/dbraw/zinc/53/35/66/366533566.db2.gz WECKGCJUEZEBKT-CYBMUJFWSA-N 1 2 293.348 2.217 20 5 CEBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1O ZINC000339100013 366654051 /nfs/dbraw/zinc/65/40/51/366654051.db2.gz SZDKDROVSDYLPU-ZIAGYGMSSA-N 1 2 280.324 2.036 20 5 CEBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1O ZINC000339100013 366654057 /nfs/dbraw/zinc/65/40/57/366654057.db2.gz SZDKDROVSDYLPU-ZIAGYGMSSA-N 1 2 280.324 2.036 20 5 CEBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CCC(CO)CC1 ZINC000339043437 366627393 /nfs/dbraw/zinc/62/73/93/366627393.db2.gz OBWBNXFAGOOXTE-UHFFFAOYSA-N 1 2 294.351 2.283 20 5 CEBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CCC(CO)CC1 ZINC000339043437 366627401 /nfs/dbraw/zinc/62/74/01/366627401.db2.gz OBWBNXFAGOOXTE-UHFFFAOYSA-N 1 2 294.351 2.283 20 5 CEBDLO CC(C)[N@H+](Cc1ncnn1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000177045005 189024075 /nfs/dbraw/zinc/02/40/75/189024075.db2.gz KBNZVSMCSNBING-UHFFFAOYSA-N 1 2 289.339 2.134 20 5 CEBDLO CC(C)[N@@H+](Cc1ncnn1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000177045005 189024076 /nfs/dbraw/zinc/02/40/76/189024076.db2.gz KBNZVSMCSNBING-UHFFFAOYSA-N 1 2 289.339 2.134 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@]12CCOC2 ZINC000339173583 366690086 /nfs/dbraw/zinc/69/00/86/366690086.db2.gz SKABDRPSQOMOHE-AWEZNQCLSA-N 1 2 278.308 2.055 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@]12CCOC2 ZINC000339173583 366690089 /nfs/dbraw/zinc/69/00/89/366690089.db2.gz SKABDRPSQOMOHE-AWEZNQCLSA-N 1 2 278.308 2.055 20 5 CEBDLO O=[N+]([O-])c1ccc(NCCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000015206448 361467337 /nfs/dbraw/zinc/46/73/37/361467337.db2.gz HBIGHIKHUCNINF-UHFFFAOYSA-N 1 2 291.267 2.202 20 5 CEBDLO Cn1cc[nH+]c1CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000089953088 364022483 /nfs/dbraw/zinc/02/24/83/364022483.db2.gz PAOCTKHZIYZLGJ-UHFFFAOYSA-N 1 2 286.335 2.493 20 5 CEBDLO CCNC(=O)C[N@H+](CC)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116271946 365047479 /nfs/dbraw/zinc/04/74/79/365047479.db2.gz XJZBKYZBIYINGF-UHFFFAOYSA-N 1 2 299.758 2.206 20 5 CEBDLO CCNC(=O)C[N@@H+](CC)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116271946 365047483 /nfs/dbraw/zinc/04/74/83/365047483.db2.gz XJZBKYZBIYINGF-UHFFFAOYSA-N 1 2 299.758 2.206 20 5 CEBDLO CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)[NH+](CC)CC ZINC000340543325 366930041 /nfs/dbraw/zinc/93/00/41/366930041.db2.gz AISHOESTFABKMZ-GFCCVEGCSA-N 1 2 295.339 2.359 20 5 CEBDLO Cc1ccc(NC(=O)[C@H](C)[NH+]2CC(C)C2)cc1[N+](=O)[O-] ZINC000583272077 367025169 /nfs/dbraw/zinc/02/51/69/367025169.db2.gz ZGKMFUAWTZRMOW-NSHDSACASA-N 1 2 277.324 2.182 20 5 CEBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)cs1 ZINC000174749831 368063402 /nfs/dbraw/zinc/06/34/02/368063402.db2.gz ZRAQOGZXUWSMAK-VIFPVBQESA-N 1 2 296.270 2.155 20 5 CEBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)cs1 ZINC000174749831 368063405 /nfs/dbraw/zinc/06/34/05/368063405.db2.gz ZRAQOGZXUWSMAK-VIFPVBQESA-N 1 2 296.270 2.155 20 5 CEBDLO CC(C)[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000330754194 203192945 /nfs/dbraw/zinc/19/29/45/203192945.db2.gz YBQFKTNWNVRJJS-CQSZACIVSA-N 1 2 264.325 2.452 20 5 CEBDLO CC(C)[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000330754194 203192948 /nfs/dbraw/zinc/19/29/48/203192948.db2.gz YBQFKTNWNVRJJS-CQSZACIVSA-N 1 2 264.325 2.452 20 5 CEBDLO Cc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000349386374 369318194 /nfs/dbraw/zinc/31/81/94/369318194.db2.gz SDYFLFVLYZJIAA-RISCZKNCSA-N 1 2 264.325 2.106 20 5 CEBDLO Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000349386374 369318199 /nfs/dbraw/zinc/31/81/99/369318199.db2.gz SDYFLFVLYZJIAA-RISCZKNCSA-N 1 2 264.325 2.106 20 5 CEBDLO CCn1nc(C)c([N+](=O)[O-])c1NCCc1ccc(C)[nH+]c1 ZINC000192587142 369830880 /nfs/dbraw/zinc/83/08/80/369830880.db2.gz SHXGHGGSIZGXBY-UHFFFAOYSA-N 1 2 289.339 2.478 20 5 CEBDLO Nc1[nH+]cnc(NCc2ccc([N+](=O)[O-])cc2)c1Cl ZINC000236392896 370586750 /nfs/dbraw/zinc/58/67/50/370586750.db2.gz PVAIOJNLXJHOQA-UHFFFAOYSA-N 1 2 279.687 2.233 20 5 CEBDLO Nc1nc[nH+]c(NCc2ccc([N+](=O)[O-])cc2)c1Cl ZINC000236392896 370586756 /nfs/dbraw/zinc/58/67/56/370586756.db2.gz PVAIOJNLXJHOQA-UHFFFAOYSA-N 1 2 279.687 2.233 20 5 CEBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCO[C@@H](C3CC3)C2)c1 ZINC000368872741 373282346 /nfs/dbraw/zinc/28/23/46/373282346.db2.gz NLAREIHMTXEFQM-CQSZACIVSA-N 1 2 262.309 2.206 20 5 CEBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCO[C@@H](C3CC3)C2)c1 ZINC000368872741 373282353 /nfs/dbraw/zinc/28/23/53/373282353.db2.gz NLAREIHMTXEFQM-CQSZACIVSA-N 1 2 262.309 2.206 20 5 CEBDLO Cn1cccc1[C@H]1CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000370036802 373562601 /nfs/dbraw/zinc/56/26/01/373562601.db2.gz KXOASNLXWPBXCJ-GFCCVEGCSA-N 1 2 289.339 2.004 20 5 CEBDLO Cn1cccc1[C@H]1CCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000370036802 373562603 /nfs/dbraw/zinc/56/26/03/373562603.db2.gz KXOASNLXWPBXCJ-GFCCVEGCSA-N 1 2 289.339 2.004 20 5 CEBDLO Cc1ccc(C[N@@H+]2CC[S@@](=O)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000277386663 374499433 /nfs/dbraw/zinc/49/94/33/374499433.db2.gz GPFDVKAHHAWFQX-PRWKNARSSA-N 1 2 296.392 2.104 20 5 CEBDLO Cc1ccc(C[N@H+]2CC[S@@](=O)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000277386663 374499435 /nfs/dbraw/zinc/49/94/35/374499435.db2.gz GPFDVKAHHAWFQX-PRWKNARSSA-N 1 2 296.392 2.104 20 5 CEBDLO CCn1nc(C)c([N+](=O)[O-])c1NCCNc1cccc[nH+]1 ZINC000280076397 375083191 /nfs/dbraw/zinc/08/31/91/375083191.db2.gz QOYMDLGEAASLQJ-UHFFFAOYSA-N 1 2 290.327 2.039 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCCC[C@@H]1C1(O)CC1 ZINC000556780613 376483642 /nfs/dbraw/zinc/48/36/42/376483642.db2.gz XXPLVFXMAIPGRN-CQSZACIVSA-N 1 2 292.335 2.180 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCCC[C@@H]1C1(O)CC1 ZINC000556780613 376483649 /nfs/dbraw/zinc/48/36/49/376483649.db2.gz XXPLVFXMAIPGRN-CQSZACIVSA-N 1 2 292.335 2.180 20 5 CEBDLO Cc1ccc(C[N@@H+]2CCC[C@](F)(CO)C2)cc1[N+](=O)[O-] ZINC000289942962 376571721 /nfs/dbraw/zinc/57/17/21/376571721.db2.gz XGDTYEHLCPGIRZ-CQSZACIVSA-N 1 2 282.315 2.200 20 5 CEBDLO Cc1ccc(C[N@H+]2CCC[C@](F)(CO)C2)cc1[N+](=O)[O-] ZINC000289942962 376571726 /nfs/dbraw/zinc/57/17/26/376571726.db2.gz XGDTYEHLCPGIRZ-CQSZACIVSA-N 1 2 282.315 2.200 20 5 CEBDLO CC[C@@]1(C)COCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330450711 377140203 /nfs/dbraw/zinc/14/02/03/377140203.db2.gz JMZSOQLDLNINIQ-AWEZNQCLSA-N 1 2 280.324 2.301 20 5 CEBDLO CC[C@@]1(C)COCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330450711 377140207 /nfs/dbraw/zinc/14/02/07/377140207.db2.gz JMZSOQLDLNINIQ-AWEZNQCLSA-N 1 2 280.324 2.301 20 5 CEBDLO CO[C@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC[C@@H]1C ZINC000330458979 377144429 /nfs/dbraw/zinc/14/44/29/377144429.db2.gz SMFYAQQJFFBKKA-HZMBPMFUSA-N 1 2 280.324 2.157 20 5 CEBDLO CO[C@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC[C@@H]1C ZINC000330458979 377144433 /nfs/dbraw/zinc/14/44/33/377144433.db2.gz SMFYAQQJFFBKKA-HZMBPMFUSA-N 1 2 280.324 2.157 20 5 CEBDLO C[C@H]([NH2+][C@@H](C)c1nccc(N)n1)c1cccc([N+](=O)[O-])c1 ZINC000565158489 377576587 /nfs/dbraw/zinc/57/65/87/377576587.db2.gz SIJLBXULXUFQAD-UWVGGRQHSA-N 1 2 287.323 2.209 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(NCCc2cn(C)c[nH+]2)c1 ZINC000313486047 249396471 /nfs/dbraw/zinc/39/64/71/249396471.db2.gz PGSQSLFQZLVHNQ-UHFFFAOYSA-N 1 2 260.297 2.291 20 5 CEBDLO CCn1cc[nH+]c1CNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000295796423 378307158 /nfs/dbraw/zinc/30/71/58/378307158.db2.gz RKKDFCVFKDVWHJ-UHFFFAOYSA-N 1 2 288.307 2.050 20 5 CEBDLO C[C@@H]1[C@H](O)CCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000296207947 378453423 /nfs/dbraw/zinc/45/34/23/378453423.db2.gz MKAPQUVZMYMFLC-AMIZOPFISA-N 1 2 286.278 2.218 20 5 CEBDLO C[C@@H]1[C@H](O)CCC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000296207947 378453431 /nfs/dbraw/zinc/45/34/31/378453431.db2.gz MKAPQUVZMYMFLC-AMIZOPFISA-N 1 2 286.278 2.218 20 5 CEBDLO CCn1cc[nH+]c1[C@H](C)Nc1ccc([N+](=O)[O-])cn1 ZINC000450834368 378603807 /nfs/dbraw/zinc/60/38/07/378603807.db2.gz UWUPXEGAWSVJKJ-VIFPVBQESA-N 1 2 261.285 2.379 20 5 CEBDLO COc1cc(NCCc2cn(C)c[nH+]2)c([N+](=O)[O-])cc1F ZINC000413378405 533033468 /nfs/dbraw/zinc/03/34/68/533033468.db2.gz FPUQQSNQPSOIFR-UHFFFAOYSA-N 1 2 294.286 2.131 20 5 CEBDLO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCc3cn[nH]c3C2)c(F)c1 ZINC000350313171 219007105 /nfs/dbraw/zinc/00/71/05/219007105.db2.gz YANQXUCNANVNEY-NSHDSACASA-N 1 2 290.298 2.104 20 5 CEBDLO CCc1nn(C)c(Nc2ccc(N(C)C)[nH+]c2)c1[N+](=O)[O-] ZINC000288102850 197004867 /nfs/dbraw/zinc/00/48/67/197004867.db2.gz JYIWXWPTYZZSLD-UHFFFAOYSA-N 1 2 290.327 2.095 20 5 CEBDLO COCCN(C)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413064616 394477195 /nfs/dbraw/zinc/47/71/95/394477195.db2.gz HDHLFRXAWIFXMJ-UHFFFAOYSA-N 1 2 261.281 2.226 20 5 CEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC[C@](F)(CO)C3)c2c1 ZINC000413290922 394519338 /nfs/dbraw/zinc/51/93/38/394519338.db2.gz LMPLCETYRLUNLZ-CQSZACIVSA-N 1 2 291.282 2.054 20 5 CEBDLO C[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCS1 ZINC000330614301 394621994 /nfs/dbraw/zinc/62/19/94/394621994.db2.gz RWTQAILOWRIPTE-SECBINFHSA-N 1 2 268.338 2.238 20 5 CEBDLO C[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCS1 ZINC000330614301 394621999 /nfs/dbraw/zinc/62/19/99/394621999.db2.gz RWTQAILOWRIPTE-SECBINFHSA-N 1 2 268.338 2.238 20 5 CEBDLO C[C@H](O)CC[N@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000121332598 394796448 /nfs/dbraw/zinc/79/64/48/394796448.db2.gz LTMNEXXXEWLRIX-VIFPVBQESA-N 1 2 272.732 2.451 20 5 CEBDLO C[C@H](O)CC[N@@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000121332598 394796452 /nfs/dbraw/zinc/79/64/52/394796452.db2.gz LTMNEXXXEWLRIX-VIFPVBQESA-N 1 2 272.732 2.451 20 5 CEBDLO O=C(C[C@H]1CCC[NH2+]CC1)Nc1cc([N+](=O)[O-])ccc1O ZINC000423735159 394972308 /nfs/dbraw/zinc/97/23/08/394972308.db2.gz RQPHGFGXLFPZTP-JTQLQIEISA-N 1 2 293.323 2.019 20 5 CEBDLO Cc1ccc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000568068369 395545822 /nfs/dbraw/zinc/54/58/22/395545822.db2.gz JAROIYOYTYWREU-UHFFFAOYSA-N 1 2 288.307 2.291 20 5 CEBDLO C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])s2)c2[nH+]ccn21 ZINC000450836893 395578698 /nfs/dbraw/zinc/57/86/98/395578698.db2.gz ZRCBENVVLYTWSK-RNFRBKRXSA-N 1 2 265.298 2.366 20 5 CEBDLO CC[C@H](CO)[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000451160120 395586969 /nfs/dbraw/zinc/58/69/69/395586969.db2.gz SSIULZKHEHNONS-MRVPVSSYSA-N 1 2 274.267 2.076 20 5 CEBDLO CC[C@H](CO)[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000451160120 395586970 /nfs/dbraw/zinc/58/69/70/395586970.db2.gz SSIULZKHEHNONS-MRVPVSSYSA-N 1 2 274.267 2.076 20 5 CEBDLO Cc1cc(NCC[N@H+]2CCOC[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000359886206 155159325 /nfs/dbraw/zinc/15/93/25/155159325.db2.gz ZERLBQLONPVDAK-NSHDSACASA-N 1 2 297.330 2.175 20 5 CEBDLO Cc1cc(NCC[N@@H+]2CCOC[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000359886206 155159326 /nfs/dbraw/zinc/15/93/26/155159326.db2.gz ZERLBQLONPVDAK-NSHDSACASA-N 1 2 297.330 2.175 20 5 CEBDLO Cc1nn(Cc2c[nH+]cn2C)c2ccc([N+](=O)[O-])cc12 ZINC000359451444 155020276 /nfs/dbraw/zinc/02/02/76/155020276.db2.gz ZDLCJJUACXJDLZ-UHFFFAOYSA-N 1 2 271.280 2.035 20 5 CEBDLO COc1cc[nH+]cc1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000172919698 165065855 /nfs/dbraw/zinc/06/58/55/165065855.db2.gz AUKMFRANPSYMRF-UHFFFAOYSA-N 1 2 287.275 2.180 20 5 CEBDLO Cn1cc[nH+]c1CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000071140359 176038492 /nfs/dbraw/zinc/03/84/92/176038492.db2.gz QFHQKCOJKPLXNP-UHFFFAOYSA-N 1 2 283.291 2.489 20 5 CEBDLO Cn1c[nH+]cc1CN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135229712 280039646 /nfs/dbraw/zinc/03/96/46/280039646.db2.gz XUFQCMLMXFCKNE-UHFFFAOYSA-N 1 2 286.335 2.493 20 5 CEBDLO Cc1cc(NC(=O)c2cc([N+](=O)[O-])cnc2C)cc[nH+]1 ZINC000136069698 280058001 /nfs/dbraw/zinc/05/80/01/280058001.db2.gz OBUZGENIBXQALW-UHFFFAOYSA-N 1 2 272.264 2.254 20 5 CEBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1[nH]cc[nH+]1 ZINC000446047073 281722035 /nfs/dbraw/zinc/72/20/35/281722035.db2.gz NLDOFWXYCBEFMC-UHFFFAOYSA-N 1 2 294.698 2.210 20 5 CEBDLO C[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1nncn1C ZINC000050444067 289981109 /nfs/dbraw/zinc/98/11/09/289981109.db2.gz MSWZJZQBGRCGQE-QMMMGPOBSA-N 1 2 295.730 2.228 20 5 CEBDLO O=[N+]([O-])c1ccc(C[NH+]2CC3(C2)CCOCC3)c(F)c1 ZINC000459616228 290196101 /nfs/dbraw/zinc/19/61/01/290196101.db2.gz IGIMPVXANLWDRK-UHFFFAOYSA-N 1 2 280.299 2.346 20 5 CEBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CC(C)(COC)C1 ZINC000459624923 290198567 /nfs/dbraw/zinc/19/85/67/290198567.db2.gz VXQYZNLOERVNDS-UHFFFAOYSA-N 1 2 294.351 2.462 20 5 CEBDLO C[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccn(C)n1 ZINC000459796323 290244000 /nfs/dbraw/zinc/24/40/00/290244000.db2.gz RFUYPTVLWXROCQ-SECBINFHSA-N 1 2 278.287 2.318 20 5 CEBDLO Cc1cc(F)ccc1C[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000488034082 290375186 /nfs/dbraw/zinc/37/51/86/290375186.db2.gz KYBJWUGSXJBJOG-UHFFFAOYSA-N 1 2 292.314 2.408 20 5 CEBDLO Cc1cc(F)ccc1C[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000488034082 290375188 /nfs/dbraw/zinc/37/51/88/290375188.db2.gz KYBJWUGSXJBJOG-UHFFFAOYSA-N 1 2 292.314 2.408 20 5 CEBDLO Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cn2)c(C)[nH+]1 ZINC000531633159 298113831 /nfs/dbraw/zinc/11/38/31/298113831.db2.gz VRAHKXSLBUGDTB-UHFFFAOYSA-N 1 2 272.264 2.254 20 5 CEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1[C@H](C)C[C@H]1C ZINC000547768711 313543371 /nfs/dbraw/zinc/54/33/71/313543371.db2.gz GMOYVGVMMDCUDS-GMTAPVOTSA-N 1 2 277.324 2.405 20 5 CEBDLO CCCCC[N@@H+](CC(N)=O)Cc1csc([N+](=O)[O-])c1 ZINC000183050721 520160953 /nfs/dbraw/zinc/16/09/53/520160953.db2.gz DELYLTQPEVKOJI-UHFFFAOYSA-N 1 2 285.369 2.134 20 5 CEBDLO CCCCC[N@H+](CC(N)=O)Cc1csc([N+](=O)[O-])c1 ZINC000183050721 520160941 /nfs/dbraw/zinc/16/09/41/520160941.db2.gz DELYLTQPEVKOJI-UHFFFAOYSA-N 1 2 285.369 2.134 20 5 CEBDLO Cc1c(CC(=O)Nc2cc[nH+]cc2O)cccc1[N+](=O)[O-] ZINC000161504032 525695902 /nfs/dbraw/zinc/69/59/02/525695902.db2.gz QASDTMZJLGRCLJ-UHFFFAOYSA-N 1 2 287.275 2.185 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CC(O)(C2CC2)C1 ZINC000365708577 526087973 /nfs/dbraw/zinc/08/79/73/526087973.db2.gz AHBXKFAIYHDANY-LLVKDONJSA-N 1 2 276.336 2.421 20 5 CEBDLO CCC[N@H+](C[C@H]1CCCCO1)Cn1nccc1[N+](=O)[O-] ZINC000730255812 574512296 /nfs/dbraw/zinc/51/22/96/574512296.db2.gz KAFQCIGKQPKEEM-GFCCVEGCSA-N 1 2 282.344 2.030 20 5 CEBDLO CCC[N@@H+](C[C@H]1CCCCO1)Cn1nccc1[N+](=O)[O-] ZINC000730255812 574512297 /nfs/dbraw/zinc/51/22/97/574512297.db2.gz KAFQCIGKQPKEEM-GFCCVEGCSA-N 1 2 282.344 2.030 20 5 CEBDLO CN(Cc1[nH]cc[nH+]1)c1c(F)cc([N+](=O)[O-])cc1F ZINC000749320302 575213694 /nfs/dbraw/zinc/21/36/94/575213694.db2.gz LEZATONLZIPKLI-UHFFFAOYSA-N 1 2 268.223 2.233 20 5 CEBDLO O=C(OC1CCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000176946029 625302333 /nfs/dbraw/zinc/30/23/33/625302333.db2.gz GICOOKNXHKEYQG-UHFFFAOYSA-N 1 2 287.275 2.490 20 5 CEBDLO CN(C)c1ccc(Nc2nc3ccccn3c2[N+](=O)[O-])c[nH+]1 ZINC000023619019 623028561 /nfs/dbraw/zinc/02/85/61/623028561.db2.gz AYGJGIBMRCZMHB-UHFFFAOYSA-N 1 2 298.306 2.447 20 5 CEBDLO Cc1ccc(N2CCc3[nH+]c[nH]c3C2)c([N+](=O)[O-])c1 ZINC000820580665 634456105 /nfs/dbraw/zinc/45/61/05/634456105.db2.gz ASKWRAIKYWAIKK-UHFFFAOYSA-N 1 2 258.281 2.189 20 5 CEBDLO Nc1ccc(C(=O)Nc2ccn3cc[nH+]c3c2)cc1[N+](=O)[O-] ZINC000798140975 630819318 /nfs/dbraw/zinc/81/93/18/630819318.db2.gz NHPMIEWUSHJHGG-UHFFFAOYSA-N 1 2 297.274 2.077 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000802240967 631412149 /nfs/dbraw/zinc/41/21/49/631412149.db2.gz WPPYLYKFKKFVCI-LBPRGKRZSA-N 1 2 296.298 2.104 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802240967 631412150 /nfs/dbraw/zinc/41/21/50/631412150.db2.gz WPPYLYKFKKFVCI-LBPRGKRZSA-N 1 2 296.298 2.104 20 5 CEBDLO Cc1cc(C(=O)O[C@@H]2CC[N@H+](CCF)C2)cc([N+](=O)[O-])c1 ZINC000802241805 631412970 /nfs/dbraw/zinc/41/29/70/631412970.db2.gz ATXFRPVIYASLRO-CYBMUJFWSA-N 1 2 296.298 2.104 20 5 CEBDLO Cc1cc(C(=O)O[C@@H]2CC[N@@H+](CCF)C2)cc([N+](=O)[O-])c1 ZINC000802241805 631412973 /nfs/dbraw/zinc/41/29/73/631412973.db2.gz ATXFRPVIYASLRO-CYBMUJFWSA-N 1 2 296.298 2.104 20 5 CEBDLO C[C@@H]1C[N@H+](CCNc2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000804402525 631678314 /nfs/dbraw/zinc/67/83/14/631678314.db2.gz IICJXEFVNVYNGP-SNVBAGLBSA-N 1 2 299.758 2.381 20 5 CEBDLO C[C@@H]1C[N@@H+](CCNc2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000804402525 631678318 /nfs/dbraw/zinc/67/83/18/631678318.db2.gz IICJXEFVNVYNGP-SNVBAGLBSA-N 1 2 299.758 2.381 20 5 CEBDLO COC(=O)[C@@H]([NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000901641722 634223268 /nfs/dbraw/zinc/22/32/68/634223268.db2.gz BOHSXVCCPQLMEY-HZMBPMFUSA-N 1 2 292.335 2.240 20 5 CEBDLO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1COC1 ZINC000830221779 637011626 /nfs/dbraw/zinc/01/16/26/637011626.db2.gz WUGYBEMKJBFBFV-UHFFFAOYSA-N 1 2 268.288 2.343 20 5 CEBDLO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1COC1 ZINC000830221779 637011630 /nfs/dbraw/zinc/01/16/30/637011630.db2.gz WUGYBEMKJBFBFV-UHFFFAOYSA-N 1 2 268.288 2.343 20 5 CEBDLO O=[N+]([O-])c1cccc2c1CC[N@H+](CCO[C@H]1CC1(F)F)C2 ZINC000851869954 643200392 /nfs/dbraw/zinc/20/03/92/643200392.db2.gz WNODOXGGZCEMAH-ZDUSSCGKSA-N 1 2 298.289 2.377 20 5 CEBDLO O=[N+]([O-])c1cccc2c1CC[N@@H+](CCO[C@H]1CC1(F)F)C2 ZINC000851869954 643200397 /nfs/dbraw/zinc/20/03/97/643200397.db2.gz WNODOXGGZCEMAH-ZDUSSCGKSA-N 1 2 298.289 2.377 20 5 CEBDLO CCOC(=O)[C@H](C)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000763283911 645527739 /nfs/dbraw/zinc/52/77/39/645527739.db2.gz JACZLEMUDBHNCI-NEPJUHHUSA-N 1 2 294.351 2.457 20 5 CEBDLO Cn1cc[nH+]c1CCCOC(=O)c1ccccc1[N+](=O)[O-] ZINC000789788238 648342086 /nfs/dbraw/zinc/34/20/86/648342086.db2.gz OLOAJLGLIPSEJV-UHFFFAOYSA-N 1 2 289.291 2.118 20 5 CEBDLO C[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccnn1C ZINC000879687362 651339764 /nfs/dbraw/zinc/33/97/64/651339764.db2.gz QVOQNMVBNKDALQ-MRVPVSSYSA-N 1 2 296.277 2.457 20 5 CEBDLO C[C@@H]([NH2+]CC[N+](=O)[O-])c1nc2ccccc2n1C(F)F ZINC001119839102 815163450 /nfs/dbraw/zinc/16/34/50/815163450.db2.gz WKFVNTYJLSUXLR-MRVPVSSYSA-N 1 2 284.266 2.359 20 5 CEBDLO Cc1nc([C@H](C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)no1 ZINC001116559294 808838836 /nfs/dbraw/zinc/83/88/36/808838836.db2.gz MNKPLHOAROZQLF-VIFPVBQESA-N 1 2 292.295 2.016 20 5 CEBDLO CCN(CCn1cc[nH+]c1)c1ccc([N+](=O)[O-])c(C)n1 ZINC001157460258 812161436 /nfs/dbraw/zinc/16/14/36/812161436.db2.gz UFAIPTOUYVCZTA-UHFFFAOYSA-N 1 2 275.312 2.021 20 5 CEBDLO COc1ccc(C[C@H](C)[N@@H+]2CCOC[C@@H]2C)c([N+](=O)[O-])c1 ZINC001170329816 812389590 /nfs/dbraw/zinc/38/95/90/812389590.db2.gz VCEVSBWXEGGHCR-RYUDHWBXSA-N 1 2 294.351 2.255 20 5 CEBDLO COc1ccc(C[C@H](C)[N@H+]2CCOC[C@@H]2C)c([N+](=O)[O-])c1 ZINC001170329816 812389598 /nfs/dbraw/zinc/38/95/98/812389598.db2.gz VCEVSBWXEGGHCR-RYUDHWBXSA-N 1 2 294.351 2.255 20 5 CEBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC(=O)[C@H](C)C1 ZINC001254551191 812485869 /nfs/dbraw/zinc/48/58/69/812485869.db2.gz ZZQWBNQABGZLKP-NEPJUHHUSA-N 1 2 276.336 2.437 20 5 CEBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC(=O)[C@H](C)C1 ZINC001254551191 812485872 /nfs/dbraw/zinc/48/58/72/812485872.db2.gz ZZQWBNQABGZLKP-NEPJUHHUSA-N 1 2 276.336 2.437 20 5 CEBDLO COC(=O)[C@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001173215341 815623378 /nfs/dbraw/zinc/62/33/78/815623378.db2.gz VCASTESUKOUWJW-QMTHXVAHSA-N 1 2 292.335 2.067 20 5 CEBDLO CCOC(=O)[C@H](C)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173218156 815624964 /nfs/dbraw/zinc/62/49/64/815624964.db2.gz OOUVSSVFXBIFKL-QWRGUYRKSA-N 1 2 280.324 2.067 20 5 CEBDLO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2nncn2C)cc1[N+](=O)[O-] ZINC000037016398 361883277 /nfs/dbraw/zinc/88/32/77/361883277.db2.gz DWZRQPNBXJRQPY-QWRGUYRKSA-N 1 2 289.339 2.444 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cc(C)no1 ZINC000044991696 343479075 /nfs/dbraw/zinc/47/90/75/343479075.db2.gz MWCPWCQVWOTCBC-UHFFFAOYSA-N 1 2 277.280 2.190 20 5 CEBDLO CN(C)c1[nH+]cccc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000047976186 343523539 /nfs/dbraw/zinc/52/35/39/343523539.db2.gz ZIMZIXCGZZCWMG-UHFFFAOYSA-N 1 2 286.291 2.308 20 5 CEBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000054342293 343588116 /nfs/dbraw/zinc/58/81/16/343588116.db2.gz FRZHQLUPUCPYOG-JSGCOSHPSA-N 1 2 292.335 2.227 20 5 CEBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000054342293 343588118 /nfs/dbraw/zinc/58/81/18/343588118.db2.gz FRZHQLUPUCPYOG-JSGCOSHPSA-N 1 2 292.335 2.227 20 5 CEBDLO Cc1[nH]c2ccc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)cc2[nH+]1 ZINC000055229783 343600387 /nfs/dbraw/zinc/60/03/87/343600387.db2.gz PIMGPTXGQRHYQH-UHFFFAOYSA-N 1 2 285.263 2.360 20 5 CEBDLO C[C@H](C[NH+]1CCOCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000048336665 362257352 /nfs/dbraw/zinc/25/73/52/362257352.db2.gz YYDXFFWBDCFIAO-SNVBAGLBSA-N 1 2 299.758 2.381 20 5 CEBDLO O=[N+]([O-])c1ccc(SCC[NH+]2CCOCC2)c(F)c1 ZINC000090069695 344135847 /nfs/dbraw/zinc/13/58/47/344135847.db2.gz SYWSIDVGSXXZMG-UHFFFAOYSA-N 1 2 286.328 2.158 20 5 CEBDLO Cc1ccc(C[N@@H+](C)Cc2cn(C)nc2[N+](=O)[O-])cc1 ZINC000602431801 347030204 /nfs/dbraw/zinc/03/02/04/347030204.db2.gz GLKRZWONMLKZKM-UHFFFAOYSA-N 1 2 274.324 2.269 20 5 CEBDLO Cc1ccc(C[N@H+](C)Cc2cn(C)nc2[N+](=O)[O-])cc1 ZINC000602431801 347030207 /nfs/dbraw/zinc/03/02/07/347030207.db2.gz GLKRZWONMLKZKM-UHFFFAOYSA-N 1 2 274.324 2.269 20 5 CEBDLO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000050064325 362394386 /nfs/dbraw/zinc/39/43/86/362394386.db2.gz DKNCXDDNEXBBHF-CYBMUJFWSA-N 1 2 278.308 2.122 20 5 CEBDLO CCOC(=O)[C@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000050064325 362394388 /nfs/dbraw/zinc/39/43/88/362394388.db2.gz DKNCXDDNEXBBHF-CYBMUJFWSA-N 1 2 278.308 2.122 20 5 CEBDLO CCOc1cccc(NCc2c[nH+]cn2C)c1[N+](=O)[O-] ZINC000291165376 344685382 /nfs/dbraw/zinc/68/53/82/344685382.db2.gz QKARMSNVBLALPJ-UHFFFAOYSA-N 1 2 276.296 2.339 20 5 CEBDLO CCn1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000404478115 344880639 /nfs/dbraw/zinc/88/06/39/344880639.db2.gz ZIDLWMPFFVLWGJ-JTQLQIEISA-N 1 2 275.312 2.057 20 5 CEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3C[C@@H]4CC[C@H](O)[C@H]4C3)c2c1 ZINC000591154986 345226083 /nfs/dbraw/zinc/22/60/83/345226083.db2.gz MZJCPLHSQZAYCN-CQDKDKBSSA-N 1 2 299.330 2.350 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCCCC[C@H]1CO ZINC000594017437 345568206 /nfs/dbraw/zinc/56/82/06/345568206.db2.gz ZYFRWBLYNCJILC-LBPRGKRZSA-N 1 2 280.324 2.037 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCCCC[C@H]1CO ZINC000594017437 345568209 /nfs/dbraw/zinc/56/82/09/345568209.db2.gz ZYFRWBLYNCJILC-LBPRGKRZSA-N 1 2 280.324 2.037 20 5 CEBDLO Cc1noc(C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000595491878 345795112 /nfs/dbraw/zinc/79/51/12/345795112.db2.gz YJPQKTQSRFAUCB-GXFFZTMASA-N 1 2 295.339 2.281 20 5 CEBDLO Cc1noc(C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000595491878 345795113 /nfs/dbraw/zinc/79/51/13/345795113.db2.gz YJPQKTQSRFAUCB-GXFFZTMASA-N 1 2 295.339 2.281 20 5 CEBDLO Cc1noc(C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000595491876 345795154 /nfs/dbraw/zinc/79/51/54/345795154.db2.gz YJPQKTQSRFAUCB-GWCFXTLKSA-N 1 2 295.339 2.281 20 5 CEBDLO Cc1noc(C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000595491876 345795156 /nfs/dbraw/zinc/79/51/56/345795156.db2.gz YJPQKTQSRFAUCB-GWCFXTLKSA-N 1 2 295.339 2.281 20 5 CEBDLO O=[N+]([O-])c1cc(F)c(CN2CCn3c[nH+]cc3C2)c(F)c1 ZINC000595490963 345795470 /nfs/dbraw/zinc/79/54/70/345795470.db2.gz OTPKYYLDSAKNSE-UHFFFAOYSA-N 1 2 294.261 2.085 20 5 CEBDLO COCCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000597184392 346143298 /nfs/dbraw/zinc/14/32/98/346143298.db2.gz URBIRBKBJZIUKV-UHFFFAOYSA-N 1 2 268.288 2.202 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000598460614 346360501 /nfs/dbraw/zinc/36/05/01/346360501.db2.gz SWGXUUMJPWYWMV-SNVBAGLBSA-N 1 2 288.307 2.128 20 5 CEBDLO O=[N+]([O-])c1ccc(CN2CCc3[nH+]c[nH]c3C2)c(F)c1 ZINC000599429763 346517897 /nfs/dbraw/zinc/51/78/97/346517897.db2.gz JNDKYCCJISAGLH-UHFFFAOYSA-N 1 2 276.271 2.015 20 5 CEBDLO CO[C@@H]1C[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000602896402 347240821 /nfs/dbraw/zinc/24/08/21/347240821.db2.gz GPWJEHYXWXQVKZ-FZMZJTMJSA-N 1 2 280.324 2.269 20 5 CEBDLO CO[C@@H]1C[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000602896402 347240825 /nfs/dbraw/zinc/24/08/25/347240825.db2.gz GPWJEHYXWXQVKZ-FZMZJTMJSA-N 1 2 280.324 2.269 20 5 CEBDLO CN(CCc1cccc([N+](=O)[O-])c1)c1cc(CO)cc[nH+]1 ZINC000603369840 347351604 /nfs/dbraw/zinc/35/16/04/347351604.db2.gz IBVAWIAOWZDUET-UHFFFAOYSA-N 1 2 287.319 2.161 20 5 CEBDLO O=C(CCCn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])cc1F ZINC000608870547 347622970 /nfs/dbraw/zinc/62/29/70/347622970.db2.gz JKHFMLZSBZDRPJ-UHFFFAOYSA-N 1 2 292.270 2.349 20 5 CEBDLO CN(C(=O)CCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1 ZINC000609094261 347625635 /nfs/dbraw/zinc/62/56/35/347625635.db2.gz RQHVEHXILAUUEK-UHFFFAOYSA-N 1 2 288.307 2.235 20 5 CEBDLO C[C@@H](CNc1ccc([N+](=O)[O-])s1)C[NH+]1CCOCC1 ZINC000609965107 347656602 /nfs/dbraw/zinc/65/66/02/347656602.db2.gz VYMJVZHLIUPILB-JTQLQIEISA-N 1 2 285.369 2.037 20 5 CEBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000568528648 299143910 /nfs/dbraw/zinc/14/39/10/299143910.db2.gz GIVBCVQCFBJCEY-UHFFFAOYSA-N 1 2 291.351 2.492 20 5 CEBDLO COCC1([N@H+](C)Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000611178735 347748694 /nfs/dbraw/zinc/74/86/94/347748694.db2.gz LTFDYKUPTHAKNG-UHFFFAOYSA-N 1 2 268.288 2.345 20 5 CEBDLO COCC1([N@@H+](C)Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000611178735 347748696 /nfs/dbraw/zinc/74/86/96/347748696.db2.gz LTFDYKUPTHAKNG-UHFFFAOYSA-N 1 2 268.288 2.345 20 5 CEBDLO O=C(Nc1ccn2cc[nH+]c2c1)c1ccc([N+](=O)[O-])o1 ZINC000619578150 349202186 /nfs/dbraw/zinc/20/21/86/349202186.db2.gz HZTHWUZWXJEJBN-UHFFFAOYSA-N 1 2 272.220 2.088 20 5 CEBDLO COC1CC([N@H+](C)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000352202840 219359875 /nfs/dbraw/zinc/35/98/75/219359875.db2.gz MVIHNMMZLGWHKR-UHFFFAOYSA-N 1 2 286.278 2.482 20 5 CEBDLO COC1CC([N@@H+](C)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000352202840 219359876 /nfs/dbraw/zinc/35/98/76/219359876.db2.gz MVIHNMMZLGWHKR-UHFFFAOYSA-N 1 2 286.278 2.482 20 5 CEBDLO Cc1c[nH+]ccc1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000107288757 186166860 /nfs/dbraw/zinc/16/68/60/186166860.db2.gz VCOHYEDTBGUVJJ-UHFFFAOYSA-N 1 2 287.275 2.316 20 5 CEBDLO CCn1c(C)nc([N+](=O)[O-])c1NCc1c[nH+]ccc1OC ZINC000292654998 198364785 /nfs/dbraw/zinc/36/47/85/198364785.db2.gz GXDBYDAQWCJDJT-UHFFFAOYSA-N 1 2 291.311 2.135 20 5 CEBDLO COc1ccc(C[NH2+][C@@H](C)c2nccn2C)cc1[N+](=O)[O-] ZINC000341763284 216093607 /nfs/dbraw/zinc/09/36/07/216093607.db2.gz WVPHRCXGGTVVFU-JTQLQIEISA-N 1 2 290.323 2.188 20 5 CEBDLO CC[C@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCCO1 ZINC000339155981 366680313 /nfs/dbraw/zinc/68/03/13/366680313.db2.gz DZKTVCXEAPBPDT-ZDUSSCGKSA-N 1 2 280.324 2.301 20 5 CEBDLO CC[C@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCCO1 ZINC000339155981 366680320 /nfs/dbraw/zinc/68/03/20/366680320.db2.gz DZKTVCXEAPBPDT-ZDUSSCGKSA-N 1 2 280.324 2.301 20 5 CEBDLO O=[N+]([O-])c1ccc(NCc2cccc(-c3[nH]cc[nH+]3)c2)nc1 ZINC000341929452 216155326 /nfs/dbraw/zinc/15/53/26/216155326.db2.gz BRUVTSZBHVMRIU-UHFFFAOYSA-N 1 2 295.302 2.414 20 5 CEBDLO CC(C)N(C)C(=O)[C@@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000177650717 189061686 /nfs/dbraw/zinc/06/16/86/189061686.db2.gz IGVNHDUFBTYKBM-GFCCVEGCSA-N 1 2 293.367 2.282 20 5 CEBDLO CC(C)N(C)C(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000177650717 189061687 /nfs/dbraw/zinc/06/16/87/189061687.db2.gz IGVNHDUFBTYKBM-GFCCVEGCSA-N 1 2 293.367 2.282 20 5 CEBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCOC2(CCC2)C1 ZINC000154055978 366754386 /nfs/dbraw/zinc/75/43/86/366754386.db2.gz OOVQCGMDZKNOKG-UHFFFAOYSA-N 1 2 262.309 2.350 20 5 CEBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCOC2(CCC2)C1 ZINC000154055978 366754391 /nfs/dbraw/zinc/75/43/91/366754391.db2.gz OOVQCGMDZKNOKG-UHFFFAOYSA-N 1 2 262.309 2.350 20 5 CEBDLO Cc1n[nH]cc1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000093338421 364168103 /nfs/dbraw/zinc/16/81/03/364168103.db2.gz YCOOBQHJZQVLTJ-UHFFFAOYSA-N 1 2 272.308 2.185 20 5 CEBDLO Cc1n[nH]cc1C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000093338421 364168104 /nfs/dbraw/zinc/16/81/04/364168104.db2.gz YCOOBQHJZQVLTJ-UHFFFAOYSA-N 1 2 272.308 2.185 20 5 CEBDLO CC[C@@H]1COCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000115574132 365014955 /nfs/dbraw/zinc/01/49/55/365014955.db2.gz ZOJJRVSYENVBGO-GFCCVEGCSA-N 1 2 280.324 2.214 20 5 CEBDLO CC[C@@H]1COCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000115574132 365014957 /nfs/dbraw/zinc/01/49/57/365014957.db2.gz ZOJJRVSYENVBGO-GFCCVEGCSA-N 1 2 280.324 2.214 20 5 CEBDLO COC[C@H]1CCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000586766108 367187784 /nfs/dbraw/zinc/18/77/84/367187784.db2.gz CYTWQSPZYIIDMG-SECBINFHSA-N 1 2 286.278 2.484 20 5 CEBDLO COC[C@H]1CCC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000586766108 367187789 /nfs/dbraw/zinc/18/77/89/367187789.db2.gz CYTWQSPZYIIDMG-SECBINFHSA-N 1 2 286.278 2.484 20 5 CEBDLO Cn1c[nH+]cc1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000349155880 369254114 /nfs/dbraw/zinc/25/41/14/369254114.db2.gz CETDWGPVAYNWNO-UHFFFAOYSA-N 1 2 283.291 2.240 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1NCC[N@H+]1CCOC[C@H]1C ZINC000352644622 369818235 /nfs/dbraw/zinc/81/82/35/369818235.db2.gz KCWDLHSHDWNGGU-GFCCVEGCSA-N 1 2 279.340 2.036 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1NCC[N@@H+]1CCOC[C@H]1C ZINC000352644622 369818239 /nfs/dbraw/zinc/81/82/39/369818239.db2.gz KCWDLHSHDWNGGU-GFCCVEGCSA-N 1 2 279.340 2.036 20 5 CEBDLO COC(=O)C(C)(C)[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000353156437 370044517 /nfs/dbraw/zinc/04/45/17/370044517.db2.gz RMZMITBVAUKCMT-CLFYSBASSA-N 1 2 292.335 2.491 20 5 CEBDLO COC(=O)C(C)(C)[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000353156437 370044521 /nfs/dbraw/zinc/04/45/21/370044521.db2.gz RMZMITBVAUKCMT-CLFYSBASSA-N 1 2 292.335 2.491 20 5 CEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC=C(c2ccncc2)C1 ZINC000353203062 370069455 /nfs/dbraw/zinc/06/94/55/370069455.db2.gz QLLVGZLUZKQUFY-UHFFFAOYSA-N 1 2 299.334 2.013 20 5 CEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC=C(c2ccncc2)C1 ZINC000353203062 370069457 /nfs/dbraw/zinc/06/94/57/370069457.db2.gz QLLVGZLUZKQUFY-UHFFFAOYSA-N 1 2 299.334 2.013 20 5 CEBDLO Cc1cc(C)c([N+](=O)[O-])c(NCCCn2cc[nH+]c2)n1 ZINC000359081198 371329880 /nfs/dbraw/zinc/32/98/80/371329880.db2.gz JBORZFQBHBLBQN-UHFFFAOYSA-N 1 2 275.312 2.305 20 5 CEBDLO COC(=O)[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1C ZINC000249138814 371300592 /nfs/dbraw/zinc/30/05/92/371300592.db2.gz VUVLDGYYZNBISE-MWLCHTKSSA-N 1 2 298.364 2.287 20 5 CEBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1C ZINC000249138814 371300596 /nfs/dbraw/zinc/30/05/96/371300596.db2.gz VUVLDGYYZNBISE-MWLCHTKSSA-N 1 2 298.364 2.287 20 5 CEBDLO Cc1ccnc(N2CCC(c3c[nH]c[nH+]3)CC2)c1[N+](=O)[O-] ZINC000365876422 372950827 /nfs/dbraw/zinc/95/08/27/372950827.db2.gz BIBDAMWMDZEKKG-UHFFFAOYSA-N 1 2 287.323 2.405 20 5 CEBDLO Cc1ccnc(N2CCC(c3c[nH+]c[nH]3)CC2)c1[N+](=O)[O-] ZINC000365876422 372950830 /nfs/dbraw/zinc/95/08/30/372950830.db2.gz BIBDAMWMDZEKKG-UHFFFAOYSA-N 1 2 287.323 2.405 20 5 CEBDLO Cc1c(C[N@H+]2CC[S@@](=O)CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000369341668 373390981 /nfs/dbraw/zinc/39/09/81/373390981.db2.gz FDRNRNNKTBZWMN-GIPWTMENSA-N 1 2 296.392 2.246 20 5 CEBDLO Cc1c(C[N@@H+]2CC[S@@](=O)CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000369341668 373390988 /nfs/dbraw/zinc/39/09/88/373390988.db2.gz FDRNRNNKTBZWMN-GIPWTMENSA-N 1 2 296.392 2.246 20 5 CEBDLO CC(C)[NH+]1CC(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000276684688 374264533 /nfs/dbraw/zinc/26/45/33/374264533.db2.gz WPUWIUYLSKDCDL-UHFFFAOYSA-N 1 2 297.742 2.071 20 5 CEBDLO C[N@H+](CCn1cccn1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000286215017 375874589 /nfs/dbraw/zinc/87/45/89/375874589.db2.gz BEUHPDJMUQYKIK-UHFFFAOYSA-N 1 2 296.277 2.202 20 5 CEBDLO C[N@@H+](CCn1cccn1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000286215017 375874597 /nfs/dbraw/zinc/87/45/97/375874597.db2.gz BEUHPDJMUQYKIK-UHFFFAOYSA-N 1 2 296.277 2.202 20 5 CEBDLO CC(C)(CNc1c(F)cccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000287024578 376131511 /nfs/dbraw/zinc/13/15/11/376131511.db2.gz QLHJRBALIBTZHO-UHFFFAOYSA-N 1 2 297.330 2.257 20 5 CEBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420943793 376742868 /nfs/dbraw/zinc/74/28/68/376742868.db2.gz RLGCWBIWBLIDJR-RYUDHWBXSA-N 1 2 294.351 2.128 20 5 CEBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420943793 376742876 /nfs/dbraw/zinc/74/28/76/376742876.db2.gz RLGCWBIWBLIDJR-RYUDHWBXSA-N 1 2 294.351 2.128 20 5 CEBDLO CO[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC[C@@H]1C ZINC000330458981 377143294 /nfs/dbraw/zinc/14/32/94/377143294.db2.gz SMFYAQQJFFBKKA-IINYFYTJSA-N 1 2 280.324 2.157 20 5 CEBDLO CO[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC[C@@H]1C ZINC000330458981 377143306 /nfs/dbraw/zinc/14/33/06/377143306.db2.gz SMFYAQQJFFBKKA-IINYFYTJSA-N 1 2 280.324 2.157 20 5 CEBDLO COCC[C@H]1COCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000291299572 377165390 /nfs/dbraw/zinc/16/53/90/377165390.db2.gz RZKMVMFAGWPDIF-AWEZNQCLSA-N 1 2 294.351 2.141 20 5 CEBDLO COCC[C@H]1COCC[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000291299572 377165401 /nfs/dbraw/zinc/16/54/01/377165401.db2.gz RZKMVMFAGWPDIF-AWEZNQCLSA-N 1 2 294.351 2.141 20 5 CEBDLO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ncn(C)n1 ZINC000563418401 377217010 /nfs/dbraw/zinc/21/70/10/377217010.db2.gz OZFULJFZMCDWEY-BXKDBHETSA-N 1 2 287.323 2.061 20 5 CEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@](C)(F)C1 ZINC000347343774 218197138 /nfs/dbraw/zinc/19/71/38/218197138.db2.gz HELUIQDIYXZLMA-IINYFYTJSA-N 1 2 295.314 2.356 20 5 CEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@](C)(F)C1 ZINC000347343774 218197141 /nfs/dbraw/zinc/19/71/41/218197141.db2.gz HELUIQDIYXZLMA-IINYFYTJSA-N 1 2 295.314 2.356 20 5 CEBDLO Cc1cnc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000505614120 379084012 /nfs/dbraw/zinc/08/40/12/379084012.db2.gz VUWISUARDIZTSI-UHFFFAOYSA-N 1 2 272.308 2.325 20 5 CEBDLO Cc1cnc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000505614120 379084023 /nfs/dbraw/zinc/08/40/23/379084023.db2.gz VUWISUARDIZTSI-UHFFFAOYSA-N 1 2 272.308 2.325 20 5 CEBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000456401118 379427750 /nfs/dbraw/zinc/42/77/50/379427750.db2.gz VIFAPLKUMNSQLP-SNVBAGLBSA-N 1 2 288.307 2.302 20 5 CEBDLO COC(=O)[C@@]1(F)CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000267717348 190349770 /nfs/dbraw/zinc/34/97/70/190349770.db2.gz XUWVRJLJAZJXCK-IINYFYTJSA-N 1 2 296.298 2.243 20 5 CEBDLO COC(=O)[C@@]1(F)CC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000267717348 190349771 /nfs/dbraw/zinc/34/97/71/190349771.db2.gz XUWVRJLJAZJXCK-IINYFYTJSA-N 1 2 296.298 2.243 20 5 CEBDLO COc1ccc(C[NH2+][C@H](C)c2nnc(C)o2)cc1[N+](=O)[O-] ZINC000543546019 380327142 /nfs/dbraw/zinc/32/71/42/380327142.db2.gz QRGOLDLRSSURSD-MRVPVSSYSA-N 1 2 292.295 2.146 20 5 CEBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000280865087 195006948 /nfs/dbraw/zinc/00/69/48/195006948.db2.gz ISLXSIODSQQLTL-KGLIPLIRSA-N 1 2 262.309 2.348 20 5 CEBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000280865087 195006949 /nfs/dbraw/zinc/00/69/49/195006949.db2.gz ISLXSIODSQQLTL-KGLIPLIRSA-N 1 2 262.309 2.348 20 5 CEBDLO COc1cc(NCCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000111046100 533029380 /nfs/dbraw/zinc/02/93/80/533029380.db2.gz WDFRATNMRRJGRJ-UHFFFAOYSA-N 1 2 276.296 2.302 20 5 CEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCCC3CC(O)C3)c2c1 ZINC000413258161 394514213 /nfs/dbraw/zinc/51/42/13/394514213.db2.gz DTKCZKAKEAZFBZ-UHFFFAOYSA-N 1 2 287.319 2.138 20 5 CEBDLO C[C@@H](CO)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413075962 394479345 /nfs/dbraw/zinc/47/93/45/394479345.db2.gz SOYZVZXONGOPQG-SECBINFHSA-N 1 2 261.281 2.183 20 5 CEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCC[C@@H]3CCOC3)c2c1 ZINC000413227945 394508440 /nfs/dbraw/zinc/50/84/40/394508440.db2.gz IRFOOWWPWAQTLD-LLVKDONJSA-N 1 2 287.319 2.403 20 5 CEBDLO Cc1n[nH]cc1C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000093443835 394665496 /nfs/dbraw/zinc/66/54/96/394665496.db2.gz YAFIKEQQRXPSFI-UHFFFAOYSA-N 1 2 272.308 2.185 20 5 CEBDLO Cc1n[nH]cc1C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000093443835 394665498 /nfs/dbraw/zinc/66/54/98/394665498.db2.gz YAFIKEQQRXPSFI-UHFFFAOYSA-N 1 2 272.308 2.185 20 5 CEBDLO CS[C@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000331301816 394630404 /nfs/dbraw/zinc/63/04/04/394630404.db2.gz CFBCJLYEJISGMB-NSHDSACASA-N 1 2 268.338 2.238 20 5 CEBDLO CS[C@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000331301816 394630407 /nfs/dbraw/zinc/63/04/07/394630407.db2.gz CFBCJLYEJISGMB-NSHDSACASA-N 1 2 268.338 2.238 20 5 CEBDLO Cc1cc[nH+]cc1Cn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000436197330 395096758 /nfs/dbraw/zinc/09/67/58/395096758.db2.gz KQTYZJZCEZKRMI-UHFFFAOYSA-N 1 2 258.281 2.420 20 5 CEBDLO Cc1nc(N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc[nH+]1 ZINC000360518860 155319874 /nfs/dbraw/zinc/31/98/74/155319874.db2.gz ZPNIEXZKOCCUNR-VIFPVBQESA-N 1 2 258.281 2.288 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[NH+]1C[C@H](C)S(=O)[C@@H](C)C1 ZINC000361659478 155638082 /nfs/dbraw/zinc/63/80/82/155638082.db2.gz HVTGKONHDMHWRR-RYUDHWBXSA-N 1 2 296.392 2.245 20 5 CEBDLO Cc1cnn(C2C[NH+](Cc3ccccc3[N+](=O)[O-])C2)c1 ZINC000368688904 156389152 /nfs/dbraw/zinc/38/91/52/156389152.db2.gz LDTAATLBVLJKEJ-UHFFFAOYSA-N 1 2 272.308 2.157 20 5 CEBDLO C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1nncn1C ZINC000037016546 287063326 /nfs/dbraw/zinc/06/33/26/287063326.db2.gz LGFPCJWJXPEXEG-NXEZZACHSA-N 1 2 275.312 2.135 20 5 CEBDLO O=[N+]([O-])c1ccn(CCSc2[nH+]cc3ccccn32)n1 ZINC000178475005 165241160 /nfs/dbraw/zinc/24/11/60/165241160.db2.gz PKYIUCKINWCPAB-UHFFFAOYSA-N 1 2 289.320 2.231 20 5 CEBDLO C[C@H](O)[C@@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285288590 196241623 /nfs/dbraw/zinc/24/16/23/196241623.db2.gz BARHLBRRMQCYPC-DTWKUNHWSA-N 1 2 286.278 2.076 20 5 CEBDLO C[C@H](O)[C@@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285288590 196241625 /nfs/dbraw/zinc/24/16/25/196241625.db2.gz BARHLBRRMQCYPC-DTWKUNHWSA-N 1 2 286.278 2.076 20 5 CEBDLO Cn1cc[nH+]c1CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000071274423 176106211 /nfs/dbraw/zinc/10/62/11/176106211.db2.gz CLCIYJHSPRNPCP-UHFFFAOYSA-N 1 2 283.291 2.489 20 5 CEBDLO CCn1cc([N+](=O)[O-])c(C(=O)Nc2c(C)cc[nH+]c2C)n1 ZINC000425599102 271170604 /nfs/dbraw/zinc/17/06/04/271170604.db2.gz YUAGJVIGQLSLTO-UHFFFAOYSA-N 1 2 289.295 2.075 20 5 CEBDLO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)CCO1 ZINC000430200407 271362265 /nfs/dbraw/zinc/36/22/65/271362265.db2.gz WOKFQROPRGLWNT-CYBMUJFWSA-N 1 2 280.324 2.214 20 5 CEBDLO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)CCO1 ZINC000430200407 271362269 /nfs/dbraw/zinc/36/22/69/271362269.db2.gz WOKFQROPRGLWNT-CYBMUJFWSA-N 1 2 280.324 2.214 20 5 CEBDLO CN(CC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000264065413 276945279 /nfs/dbraw/zinc/94/52/79/276945279.db2.gz JVQPGWJGGFKZBQ-UHFFFAOYSA-N 1 2 299.758 2.017 20 5 CEBDLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000293286777 279080531 /nfs/dbraw/zinc/08/05/31/279080531.db2.gz CXNQHPYWBTWNAM-DTWKUNHWSA-N 1 2 265.269 2.343 20 5 CEBDLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000293286777 279080534 /nfs/dbraw/zinc/08/05/34/279080534.db2.gz CXNQHPYWBTWNAM-DTWKUNHWSA-N 1 2 265.269 2.343 20 5 CEBDLO Cc1nc(N2CCc3c(cccc3[N+](=O)[O-])C2)cc[nH+]1 ZINC000161739282 297448028 /nfs/dbraw/zinc/44/80/28/297448028.db2.gz AUFIXKNVHXFPHU-UHFFFAOYSA-N 1 2 270.292 2.256 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000577001414 314331436 /nfs/dbraw/zinc/33/14/36/314331436.db2.gz UHSFISHVPADLQN-NSHDSACASA-N 1 2 292.335 2.301 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000577001414 314331439 /nfs/dbraw/zinc/33/14/39/314331439.db2.gz UHSFISHVPADLQN-NSHDSACASA-N 1 2 292.335 2.301 20 5 CEBDLO C[C@@H](Cn1cc[nH+]c1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000163766931 524964579 /nfs/dbraw/zinc/96/45/79/524964579.db2.gz VNPORZLRBUSYEG-VIFPVBQESA-N 1 2 264.260 2.431 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCCOCC2)c(Cl)c1 ZINC000364685797 527349190 /nfs/dbraw/zinc/34/91/90/527349190.db2.gz IXNNQAMEEVMDDJ-UHFFFAOYSA-N 1 2 270.716 2.471 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCCOCC2)c(Cl)c1 ZINC000364685797 527349194 /nfs/dbraw/zinc/34/91/94/527349194.db2.gz IXNNQAMEEVMDDJ-UHFFFAOYSA-N 1 2 270.716 2.471 20 5 CEBDLO C[N@@H+]1CCCC[C@H]1C(=O)OCc1c(F)cccc1[N+](=O)[O-] ZINC000745084100 575132633 /nfs/dbraw/zinc/13/26/33/575132633.db2.gz GTOQEBSRXSEGFR-ZDUSSCGKSA-N 1 2 296.298 2.261 20 5 CEBDLO C[N@H+]1CCCC[C@H]1C(=O)OCc1c(F)cccc1[N+](=O)[O-] ZINC000745084100 575132634 /nfs/dbraw/zinc/13/26/34/575132634.db2.gz GTOQEBSRXSEGFR-ZDUSSCGKSA-N 1 2 296.298 2.261 20 5 CEBDLO CC(=O)c1ccc([N+](=O)[O-])cc1NCCn1cc[nH+]c1 ZINC000807917327 623137697 /nfs/dbraw/zinc/13/76/97/623137697.db2.gz WBDGASBHTXTNEO-UHFFFAOYSA-N 1 2 274.280 2.106 20 5 CEBDLO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)(C)C(=O)OC ZINC000933189676 623532752 /nfs/dbraw/zinc/53/27/52/623532752.db2.gz DBPQHIWYUJHCIA-UHFFFAOYSA-N 1 2 280.324 2.368 20 5 CEBDLO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)(C)C(=O)OC ZINC000933189676 623532755 /nfs/dbraw/zinc/53/27/55/623532755.db2.gz DBPQHIWYUJHCIA-UHFFFAOYSA-N 1 2 280.324 2.368 20 5 CEBDLO CSCC1CC[NH+](Cn2cc([N+](=O)[O-])c(C)n2)CC1 ZINC000902392498 634632681 /nfs/dbraw/zinc/63/26/81/634632681.db2.gz HZIGSFJFZGCJJW-UHFFFAOYSA-N 1 2 284.385 2.132 20 5 CEBDLO CC[C@@H](C[NH+]1CCOCC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000895797965 630353355 /nfs/dbraw/zinc/35/33/55/630353355.db2.gz BXPFEIIMRGJEKW-NSHDSACASA-N 1 2 297.330 2.257 20 5 CEBDLO CCn1c[nH+]c2c1CCN(c1ncc(C)cc1[N+](=O)[O-])C2 ZINC000896660272 630624370 /nfs/dbraw/zinc/62/43/70/630624370.db2.gz MNAMMWBCTKANQJ-UHFFFAOYSA-N 1 2 287.323 2.077 20 5 CEBDLO Nc1ccc([N+](=O)[O-])c(NCc2ccn3cc[nH+]c3c2)c1 ZINC000811817225 632449622 /nfs/dbraw/zinc/44/96/22/632449622.db2.gz PRBNYPYEDDCOOD-UHFFFAOYSA-N 1 2 283.291 2.437 20 5 CEBDLO O=[N+]([O-])CCNC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000905029530 635793434 /nfs/dbraw/zinc/79/34/34/635793434.db2.gz XNKLVUJQFWRZPC-CQSZACIVSA-N 1 2 297.786 2.343 20 5 CEBDLO C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1Cc1c[nH+]cn1C ZINC000759766712 645073124 /nfs/dbraw/zinc/07/31/24/645073124.db2.gz AZPMATPQDPAAJK-SNVBAGLBSA-N 1 2 272.308 2.280 20 5 CEBDLO CN(C)c1cc(Cn2cc([N+](=O)[O-])c(C3CC3)n2)cc[nH+]1 ZINC000767061414 645951019 /nfs/dbraw/zinc/95/10/19/645951019.db2.gz LSACIBQGNJIQGL-UHFFFAOYSA-N 1 2 287.323 2.178 20 5 CEBDLO Cc1cc(F)cc(C(=O)OCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000771991749 646581302 /nfs/dbraw/zinc/58/13/02/646581302.db2.gz COZVGCDZLYFOKN-UHFFFAOYSA-N 1 2 293.254 2.096 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(N[C@H]2CCC[N@H+](CCF)C2)n1 ZINC000865927842 647540200 /nfs/dbraw/zinc/54/02/00/647540200.db2.gz IYPPFAJOKDUIAM-NSHDSACASA-N 1 2 282.319 2.144 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(N[C@H]2CCC[N@@H+](CCF)C2)n1 ZINC000865927842 647540203 /nfs/dbraw/zinc/54/02/03/647540203.db2.gz IYPPFAJOKDUIAM-NSHDSACASA-N 1 2 282.319 2.144 20 5 CEBDLO Cc1c(C(=O)OCc2cc[nH+]c(N)c2)cccc1[N+](=O)[O-] ZINC000787591458 648121101 /nfs/dbraw/zinc/12/11/01/648121101.db2.gz LMSDQECRRBWMQF-UHFFFAOYSA-N 1 2 287.275 2.237 20 5 CEBDLO Nc1cc(COC(=O)c2cc(F)ccc2[N+](=O)[O-])cc[nH+]1 ZINC000791793310 648567973 /nfs/dbraw/zinc/56/79/73/648567973.db2.gz FNDHXCYYWXUQNJ-UHFFFAOYSA-N 1 2 291.238 2.068 20 5 CEBDLO CCn1ncnc1C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000793346424 648745247 /nfs/dbraw/zinc/74/52/47/648745247.db2.gz PCLKVXAQQPQBJG-UHFFFAOYSA-N 1 2 295.730 2.149 20 5 CEBDLO C[C@H]1CCC[N@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794615622 648894220 /nfs/dbraw/zinc/89/42/20/648894220.db2.gz ALXSBRMNXPNPGE-JTQLQIEISA-N 1 2 291.307 2.192 20 5 CEBDLO C[C@H]1CCC[N@@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000794615622 648894222 /nfs/dbraw/zinc/89/42/22/648894222.db2.gz ALXSBRMNXPNPGE-JTQLQIEISA-N 1 2 291.307 2.192 20 5 CEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(F)CC1 ZINC000880242229 651407802 /nfs/dbraw/zinc/40/78/02/651407802.db2.gz YSFQJNVIKDAWBB-JTQLQIEISA-N 1 2 295.314 2.356 20 5 CEBDLO C[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1(F)F ZINC001169014396 811336273 /nfs/dbraw/zinc/33/62/73/811336273.db2.gz ZBIOLOLHYWOPHP-OUAUKWLOSA-N 1 2 262.300 2.409 20 5 CEBDLO C[C@@H]1CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1(F)F ZINC001169014396 811336282 /nfs/dbraw/zinc/33/62/82/811336282.db2.gz ZBIOLOLHYWOPHP-OUAUKWLOSA-N 1 2 262.300 2.409 20 5 CEBDLO O=[N+]([O-])c1cccc(N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000035804323 361823788 /nfs/dbraw/zinc/82/37/88/361823788.db2.gz OONUOTCSJWPUKC-UHFFFAOYSA-N 1 2 284.319 2.316 20 5 CEBDLO O=[N+]([O-])c1c(F)cccc1NCCn1cc[nH+]c1 ZINC000041119990 362019476 /nfs/dbraw/zinc/01/94/76/362019476.db2.gz YXVFZDJUSFOKPD-UHFFFAOYSA-N 1 2 250.233 2.043 20 5 CEBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)c1 ZINC000054342892 343588211 /nfs/dbraw/zinc/58/82/11/343588211.db2.gz QRMAEQZZXXDWDS-KBPBESRZSA-N 1 2 262.309 2.348 20 5 CEBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)c1 ZINC000054342892 343588212 /nfs/dbraw/zinc/58/82/12/343588212.db2.gz QRMAEQZZXXDWDS-KBPBESRZSA-N 1 2 262.309 2.348 20 5 CEBDLO CCn1cc[nH+]c1CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000295059042 199323911 /nfs/dbraw/zinc/32/39/11/199323911.db2.gz VEGAITSENOWXOJ-UHFFFAOYSA-N 1 2 291.267 2.332 20 5 CEBDLO CC[C@H]1C[N@H+](CC)CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000449566935 282286508 /nfs/dbraw/zinc/28/65/08/282286508.db2.gz SLYVJHABYHSMFM-ZDUSSCGKSA-N 1 2 293.367 2.217 20 5 CEBDLO CC[C@H]1C[N@@H+](CC)CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000449566935 282286509 /nfs/dbraw/zinc/28/65/09/282286509.db2.gz SLYVJHABYHSMFM-ZDUSSCGKSA-N 1 2 293.367 2.217 20 5 CEBDLO O=C(NCc1ccccc1[N+](=O)[O-])c1ccc2[nH+]ccn2c1 ZINC000057913062 343640594 /nfs/dbraw/zinc/64/05/94/343640594.db2.gz FGVQNYULJJFFOB-UHFFFAOYSA-N 1 2 296.286 2.173 20 5 CEBDLO CCC[N@@H+]1Cc2cccc(NC(=O)[C@H]3C[C@@H]3[N+](=O)[O-])c2C1 ZINC000066514357 343715994 /nfs/dbraw/zinc/71/59/94/343715994.db2.gz NLUNETLBAZPZRD-FZMZJTMJSA-N 1 2 289.335 2.016 20 5 CEBDLO CCC[N@H+]1Cc2cccc(NC(=O)[C@H]3C[C@@H]3[N+](=O)[O-])c2C1 ZINC000066514357 343715995 /nfs/dbraw/zinc/71/59/95/343715995.db2.gz NLUNETLBAZPZRD-FZMZJTMJSA-N 1 2 289.335 2.016 20 5 CEBDLO COCC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC(C)C ZINC000092563132 344195072 /nfs/dbraw/zinc/19/50/72/344195072.db2.gz BQTGTWYGWBPSTM-UHFFFAOYSA-N 1 2 282.340 2.405 20 5 CEBDLO COCC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC(C)C ZINC000092563132 344195075 /nfs/dbraw/zinc/19/50/75/344195075.db2.gz BQTGTWYGWBPSTM-UHFFFAOYSA-N 1 2 282.340 2.405 20 5 CEBDLO C[C@H](c1ccco1)[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602438431 347033049 /nfs/dbraw/zinc/03/30/49/347033049.db2.gz IZUPVCNAPGQNNV-SECBINFHSA-N 1 2 264.285 2.114 20 5 CEBDLO C[C@H](c1ccco1)[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602438431 347033050 /nfs/dbraw/zinc/03/30/50/347033050.db2.gz IZUPVCNAPGQNNV-SECBINFHSA-N 1 2 264.285 2.114 20 5 CEBDLO CCn1nc(C)c([N+](=O)[O-])c1NCCc1cccc(C)[nH+]1 ZINC000280576438 344674821 /nfs/dbraw/zinc/67/48/21/344674821.db2.gz VVFHZOLYTWCVNS-UHFFFAOYSA-N 1 2 289.339 2.478 20 5 CEBDLO Cc1cn2c([nH+]1)CN(c1c(F)cccc1[N+](=O)[O-])CC2 ZINC000588014706 345035206 /nfs/dbraw/zinc/03/52/06/345035206.db2.gz MASNFPCMNPDQLI-UHFFFAOYSA-N 1 2 276.271 2.259 20 5 CEBDLO CN(C[C@@H](O)C1CC1)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000591149322 345225229 /nfs/dbraw/zinc/22/52/29/345225229.db2.gz GPSYJMGZXKRIGQ-CQSZACIVSA-N 1 2 287.319 2.350 20 5 CEBDLO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1ncc[nH]1 ZINC000595401508 345774434 /nfs/dbraw/zinc/77/44/34/345774434.db2.gz IVASDEQZZVTIIT-UHFFFAOYSA-N 1 2 290.323 2.219 20 5 CEBDLO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1ncc[nH]1 ZINC000595401508 345774435 /nfs/dbraw/zinc/77/44/35/345774435.db2.gz IVASDEQZZVTIIT-UHFFFAOYSA-N 1 2 290.323 2.219 20 5 CEBDLO Cc1noc(C[NH+]2CC3(C2)CC(F)(F)C3)c1[N+](=O)[O-] ZINC000595402840 345774806 /nfs/dbraw/zinc/77/48/06/345774806.db2.gz FKUGFKGIJNULAD-UHFFFAOYSA-N 1 2 273.239 2.122 20 5 CEBDLO Cc1noc(C[NH+]2CCC3(CCCC3=O)CC2)c1[N+](=O)[O-] ZINC000595816184 345884568 /nfs/dbraw/zinc/88/45/68/345884568.db2.gz JYINBYKEJKRDSJ-UHFFFAOYSA-N 1 2 293.323 2.226 20 5 CEBDLO C[C@@H]1CN(c2c(Cl)cncc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000596247014 345979539 /nfs/dbraw/zinc/97/95/39/345979539.db2.gz KOKGBJYYDOZBHR-DTORHVGOSA-N 1 2 284.747 2.172 20 5 CEBDLO C[C@@H]1CN(c2c(Cl)cncc2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000596247014 345979541 /nfs/dbraw/zinc/97/95/41/345979541.db2.gz KOKGBJYYDOZBHR-DTORHVGOSA-N 1 2 284.747 2.172 20 5 CEBDLO CCn1cc[nH+]c1[C@@H](C)Nc1c(Cl)cncc1[N+](=O)[O-] ZINC000596256800 345982085 /nfs/dbraw/zinc/98/20/85/345982085.db2.gz GJAOPVJECSQZNQ-MRVPVSSYSA-N 1 2 295.730 2.455 20 5 CEBDLO C[C@@H]1C[C@@H](Nc2c(Cl)cncc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000596256882 345982162 /nfs/dbraw/zinc/98/21/62/345982162.db2.gz HSQWOVFNHVTGRN-VXNVDRBHSA-N 1 2 293.714 2.380 20 5 CEBDLO C[C@@H]1C[N@H+](CCNc2ccc([N+](=O)[O-])cc2F)[C@@H](C)CO1 ZINC000596428828 346021447 /nfs/dbraw/zinc/02/14/47/346021447.db2.gz IKPOHLNATXYGCX-WDEREUQCSA-N 1 2 297.330 2.255 20 5 CEBDLO C[C@@H]1C[N@@H+](CCNc2ccc([N+](=O)[O-])cc2F)[C@@H](C)CO1 ZINC000596428828 346021449 /nfs/dbraw/zinc/02/14/49/346021449.db2.gz IKPOHLNATXYGCX-WDEREUQCSA-N 1 2 297.330 2.255 20 5 CEBDLO Cc1cc(N[C@H](C)c2[nH+]ccn2C)ncc1[N+](=O)[O-] ZINC000596541284 346049829 /nfs/dbraw/zinc/04/98/29/346049829.db2.gz FDGUJMHXKPBKNI-SECBINFHSA-N 1 2 261.285 2.205 20 5 CEBDLO C[C@]1(O)CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599056826 346453792 /nfs/dbraw/zinc/45/37/92/346453792.db2.gz VWYINVBCZRTCST-AWEZNQCLSA-N 1 2 273.292 2.104 20 5 CEBDLO CC[C@@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@@H]1O ZINC000599063769 346454163 /nfs/dbraw/zinc/45/41/63/346454163.db2.gz HBYDKWXHNXCFNN-YGRLFVJLSA-N 1 2 287.319 2.350 20 5 CEBDLO CCOC1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599086316 346458025 /nfs/dbraw/zinc/45/80/25/346458025.db2.gz JKMXVAKLGLZESH-UHFFFAOYSA-N 1 2 273.292 2.368 20 5 CEBDLO C/C=C\CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000599172716 346472620 /nfs/dbraw/zinc/47/26/20/346472620.db2.gz RTZAQKMQQFBISR-IHWYPQMZSA-N 1 2 291.351 2.415 20 5 CEBDLO CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000599703339 346571942 /nfs/dbraw/zinc/57/19/42/346571942.db2.gz PKGIVKACADDQSH-LBPRGKRZSA-N 1 2 297.380 2.147 20 5 CEBDLO CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000599703339 346571945 /nfs/dbraw/zinc/57/19/45/346571945.db2.gz PKGIVKACADDQSH-LBPRGKRZSA-N 1 2 297.380 2.147 20 5 CEBDLO CCOC[C@@H]1C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CCO1 ZINC000600201314 346621404 /nfs/dbraw/zinc/62/14/04/346621404.db2.gz HDVZOZOMDJQXPO-AWEZNQCLSA-N 1 2 294.351 2.141 20 5 CEBDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CCO1 ZINC000600201314 346621407 /nfs/dbraw/zinc/62/14/07/346621407.db2.gz HDVZOZOMDJQXPO-AWEZNQCLSA-N 1 2 294.351 2.141 20 5 CEBDLO O=[N+]([O-])c1c(N[C@H]2C[C@@H](CO)C2)ccc2c[nH+]ccc21 ZINC000601211506 346790110 /nfs/dbraw/zinc/79/01/10/346790110.db2.gz DVVOGGAOYYNNGO-JGZJWPJOSA-N 1 2 273.292 2.326 20 5 CEBDLO CC[C@](C)([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1nccs1 ZINC000602796163 347201586 /nfs/dbraw/zinc/20/15/86/347201586.db2.gz VRVJTWHHBKAAIZ-LBPRGKRZSA-N 1 2 295.368 2.200 20 5 CEBDLO Cc1n[nH]cc1C[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000602937653 347252462 /nfs/dbraw/zinc/25/24/62/347252462.db2.gz KMZANXCGPOVLBV-UHFFFAOYSA-N 1 2 266.326 2.320 20 5 CEBDLO Cc1n[nH]cc1C[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000602937653 347252464 /nfs/dbraw/zinc/25/24/64/347252464.db2.gz KMZANXCGPOVLBV-UHFFFAOYSA-N 1 2 266.326 2.320 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)Cc1c[nH]nc1C ZINC000602943866 347253006 /nfs/dbraw/zinc/25/30/06/347253006.db2.gz TUIWTNVPBHZPRU-UHFFFAOYSA-N 1 2 290.323 2.267 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1c[nH]nc1C ZINC000602943866 347253009 /nfs/dbraw/zinc/25/30/09/347253009.db2.gz TUIWTNVPBHZPRU-UHFFFAOYSA-N 1 2 290.323 2.267 20 5 CEBDLO O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc2[nH+]ccn2c1 ZINC000609618930 347647007 /nfs/dbraw/zinc/64/70/07/347647007.db2.gz JAHABDVELUAUPX-UHFFFAOYSA-N 1 2 296.286 2.424 20 5 CEBDLO COc1ccc(NCc2ccc(OC)c([N+](=O)[O-])c2)[nH+]c1 ZINC000610890387 347720657 /nfs/dbraw/zinc/72/06/57/347720657.db2.gz QYMQWMCPHHVDMG-UHFFFAOYSA-N 1 2 289.291 2.041 20 5 CEBDLO Cc1cn2c([nH+]1)CN(c1ccsc1[N+](=O)[O-])CC2 ZINC000611764337 347815287 /nfs/dbraw/zinc/81/52/87/347815287.db2.gz XJRSQBMYMDRNGK-UHFFFAOYSA-N 1 2 264.310 2.181 20 5 CEBDLO CN(C)c1cc[nH+]c(NC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000612345859 347872273 /nfs/dbraw/zinc/87/22/73/347872273.db2.gz NHHNUPUSFORPNZ-UHFFFAOYSA-N 1 2 286.291 2.308 20 5 CEBDLO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)CC1(O)CCC1 ZINC000351979876 219275665 /nfs/dbraw/zinc/27/56/65/219275665.db2.gz YVTHGMQTOYNPQX-UHFFFAOYSA-N 1 2 286.278 2.220 20 5 CEBDLO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)CC1(O)CCC1 ZINC000351979876 219275666 /nfs/dbraw/zinc/27/56/66/219275666.db2.gz YVTHGMQTOYNPQX-UHFFFAOYSA-N 1 2 286.278 2.220 20 5 CEBDLO Cn1c[nH+]cc1CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000357601985 233106245 /nfs/dbraw/zinc/10/62/45/233106245.db2.gz FDQKNNVVBNFMQE-UHFFFAOYSA-N 1 2 283.291 2.489 20 5 CEBDLO C[C@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H](C2CC2)O1 ZINC000619431547 349179773 /nfs/dbraw/zinc/17/97/73/349179773.db2.gz TYSNLOCFWWAWQV-ZUZCIYMTSA-N 1 2 292.335 2.300 20 5 CEBDLO C[C@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H](C2CC2)O1 ZINC000619431547 349179777 /nfs/dbraw/zinc/17/97/77/349179777.db2.gz TYSNLOCFWWAWQV-ZUZCIYMTSA-N 1 2 292.335 2.300 20 5 CEBDLO CCC[C@@H]([NH2+]Cc1ncn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000090969166 180076848 /nfs/dbraw/zinc/07/68/48/180076848.db2.gz OXJPNQNKCWRTLG-CYBMUJFWSA-N 1 2 289.339 2.354 20 5 CEBDLO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@@H+](C3CC3)CCO2)c(F)c1 ZINC000106369769 186111049 /nfs/dbraw/zinc/11/10/49/186111049.db2.gz MSXXQAGFDAZOHE-GFCCVEGCSA-N 1 2 295.314 2.009 20 5 CEBDLO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@H+](C3CC3)CCO2)c(F)c1 ZINC000106369769 186111050 /nfs/dbraw/zinc/11/10/50/186111050.db2.gz MSXXQAGFDAZOHE-GFCCVEGCSA-N 1 2 295.314 2.009 20 5 CEBDLO Cc1nonc1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292105105 198165209 /nfs/dbraw/zinc/16/52/09/198165209.db2.gz IJKPQHZWJNLCPS-UHFFFAOYSA-N 1 2 276.296 2.311 20 5 CEBDLO CN(CCCn1cc[nH+]c1)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000154179657 188127886 /nfs/dbraw/zinc/12/78/86/188127886.db2.gz RCIMDADHHZTKEY-UHFFFAOYSA-N 1 2 295.730 2.366 20 5 CEBDLO Cc1nn(Cc2cn3c(cccc3C)[nH+]2)c(C)c1[N+](=O)[O-] ZINC000074259431 363316107 /nfs/dbraw/zinc/31/61/07/363316107.db2.gz PWZIEZRTBHBOKI-UHFFFAOYSA-N 1 2 285.307 2.413 20 5 CEBDLO COC(=O)[C@H](C)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000271830694 191353754 /nfs/dbraw/zinc/35/37/54/191353754.db2.gz QUBYXPNHFHDIDV-QWRGUYRKSA-N 1 2 280.324 2.067 20 5 CEBDLO Cc1nc(NCc2ccc[nH+]c2N(C)C)ccc1[N+](=O)[O-] ZINC000301615560 201098123 /nfs/dbraw/zinc/09/81/23/201098123.db2.gz BLXCDWKNULIOHM-UHFFFAOYSA-N 1 2 287.323 2.371 20 5 CEBDLO Cc1cc(NCCn2cc([N+](=O)[O-])cn2)nc(C(C)C)[nH+]1 ZINC000301694674 201144766 /nfs/dbraw/zinc/14/47/66/201144766.db2.gz ANVHFTUADGQDGK-UHFFFAOYSA-N 1 2 290.327 2.125 20 5 CEBDLO Cc1ccc([C@H](C)[NH2+]Cc2c[nH]cn2)cc1[N+](=O)[O-] ZINC000088750554 363918824 /nfs/dbraw/zinc/91/88/24/363918824.db2.gz GVBZFKPHIIHAAG-JTQLQIEISA-N 1 2 260.297 2.477 20 5 CEBDLO Cn1cnnc1[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000156609877 366834830 /nfs/dbraw/zinc/83/48/30/366834830.db2.gz KVUPUFDCBWQARC-ZDUSSCGKSA-N 1 2 287.323 2.060 20 5 CEBDLO Cn1cnnc1[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000156609877 366834836 /nfs/dbraw/zinc/83/48/36/366834836.db2.gz KVUPUFDCBWQARC-ZDUSSCGKSA-N 1 2 287.323 2.060 20 5 CEBDLO COC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000073022614 291326287 /nfs/dbraw/zinc/32/62/87/291326287.db2.gz WQHTWHZGNASDNS-ZDUSSCGKSA-N 1 2 278.308 2.122 20 5 CEBDLO COC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000073022614 291326288 /nfs/dbraw/zinc/32/62/88/291326288.db2.gz WQHTWHZGNASDNS-ZDUSSCGKSA-N 1 2 278.308 2.122 20 5 CEBDLO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ncn(C)n2)cc1[N+](=O)[O-] ZINC000275726822 193114507 /nfs/dbraw/zinc/11/45/07/193114507.db2.gz ONHKJPFRWVQVLY-WDEREUQCSA-N 1 2 289.339 2.444 20 5 CEBDLO Cc1c([C@H](C)[NH2+][C@H](C)c2ncn(C)n2)cccc1[N+](=O)[O-] ZINC000275738796 193118041 /nfs/dbraw/zinc/11/80/41/193118041.db2.gz QDDXHPSPXUEWNY-WDEREUQCSA-N 1 2 289.339 2.444 20 5 CEBDLO Cc1[nH]c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2[nH+]1 ZINC000340577858 366942226 /nfs/dbraw/zinc/94/22/26/366942226.db2.gz SLCRNZCYLWAGEA-UHFFFAOYSA-N 1 2 285.263 2.360 20 5 CEBDLO Cc1cnc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n1C ZINC000341015218 367133485 /nfs/dbraw/zinc/13/34/85/367133485.db2.gz QCUDQMXNMOKCIZ-NSHDSACASA-N 1 2 274.324 2.488 20 5 CEBDLO Cc1c[nH+]c(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)n1C ZINC000341015218 367133492 /nfs/dbraw/zinc/13/34/92/367133492.db2.gz QCUDQMXNMOKCIZ-NSHDSACASA-N 1 2 274.324 2.488 20 5 CEBDLO C[C@H](Nc1ccc([N+](=O)[O-])s1)[C@H](C)[NH+]1CCOCC1 ZINC000609192977 367223434 /nfs/dbraw/zinc/22/34/34/367223434.db2.gz UUBMTNNXGPERAX-UWVGGRQHSA-N 1 2 285.369 2.177 20 5 CEBDLO COC(=O)C(C)(C)[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000346004301 368514850 /nfs/dbraw/zinc/51/48/50/368514850.db2.gz CAFXWRWJZXQGKD-UHFFFAOYSA-N 1 2 280.324 2.287 20 5 CEBDLO COC(=O)C(C)(C)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000346004301 368514854 /nfs/dbraw/zinc/51/48/54/368514854.db2.gz CAFXWRWJZXQGKD-UHFFFAOYSA-N 1 2 280.324 2.287 20 5 CEBDLO CCOc1cc(C[N@@H+]2CCO[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000330617894 203044884 /nfs/dbraw/zinc/04/48/84/203044884.db2.gz XMXFZEZNGAHDFU-LLVKDONJSA-N 1 2 280.324 2.214 20 5 CEBDLO CCOc1cc(C[N@H+]2CCO[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000330617894 203044886 /nfs/dbraw/zinc/04/48/86/203044886.db2.gz XMXFZEZNGAHDFU-LLVKDONJSA-N 1 2 280.324 2.214 20 5 CEBDLO CCCN1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1=O ZINC000189207442 369475054 /nfs/dbraw/zinc/47/50/54/369475054.db2.gz DQNLKCSCZYNPFX-UHFFFAOYSA-N 1 2 291.351 2.039 20 5 CEBDLO CCCN1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1=O ZINC000189207442 369475059 /nfs/dbraw/zinc/47/50/59/369475059.db2.gz DQNLKCSCZYNPFX-UHFFFAOYSA-N 1 2 291.351 2.039 20 5 CEBDLO Cc1ccc(CCNc2ncc([N+](=O)[O-])s2)c[nH+]1 ZINC000190328307 369614187 /nfs/dbraw/zinc/61/41/87/369614187.db2.gz DYJDXMDHHHPUPW-UHFFFAOYSA-N 1 2 264.310 2.409 20 5 CEBDLO C[C@H]1COCC[N@@H+]1CCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000352632557 369812835 /nfs/dbraw/zinc/81/28/35/369812835.db2.gz DZDOUDNIZKCRMZ-JTQLQIEISA-N 1 2 299.758 2.381 20 5 CEBDLO C[C@H]1COCC[N@H+]1CCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000352632557 369812839 /nfs/dbraw/zinc/81/28/39/369812839.db2.gz DZDOUDNIZKCRMZ-JTQLQIEISA-N 1 2 299.758 2.381 20 5 CEBDLO Cc1[nH]c2ccc(Cn3cc([N+](=O)[O-])c(C)cc3=O)cc2[nH+]1 ZINC000358854566 371248876 /nfs/dbraw/zinc/24/88/76/371248876.db2.gz PCPHTTTWGLOCKJ-UHFFFAOYSA-N 1 2 298.302 2.298 20 5 CEBDLO Cc1[nH]c2cc(Cn3cc([N+](=O)[O-])c(C)cc3=O)ccc2[nH+]1 ZINC000358854566 371248880 /nfs/dbraw/zinc/24/88/80/371248880.db2.gz PCPHTTTWGLOCKJ-UHFFFAOYSA-N 1 2 298.302 2.298 20 5 CEBDLO C[C@H]1CCN(c2ncc([N+](=O)[O-])s2)C[C@H]1n1cc[nH+]c1 ZINC000249301615 371312050 /nfs/dbraw/zinc/31/20/50/371312050.db2.gz SDYUVIKYPSVPCD-VHSXEESVSA-N 1 2 293.352 2.335 20 5 CEBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@H](C)C1 ZINC000266538226 372049665 /nfs/dbraw/zinc/04/96/65/372049665.db2.gz PAJAPKPZOVGBCK-WDEREUQCSA-N 1 2 250.298 2.377 20 5 CEBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@H](C)C1 ZINC000266538226 372049668 /nfs/dbraw/zinc/04/96/68/372049668.db2.gz PAJAPKPZOVGBCK-WDEREUQCSA-N 1 2 250.298 2.377 20 5 CEBDLO O=[N+]([O-])c1ccc(N[C@H]2CCCN(c3cccc[nH+]3)C2)nc1 ZINC000362390532 372346252 /nfs/dbraw/zinc/34/62/52/372346252.db2.gz DNWBUABGAIUIOD-LBPRGKRZSA-N 1 2 299.334 2.466 20 5 CEBDLO CC[C@@H]1C[N@H+](CCNc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000362681604 372484790 /nfs/dbraw/zinc/48/47/90/372484790.db2.gz QWEVXUHALSZIKH-GFCCVEGCSA-N 1 2 297.330 2.257 20 5 CEBDLO CC[C@@H]1C[N@@H+](CCNc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000362681604 372484799 /nfs/dbraw/zinc/48/47/99/372484799.db2.gz QWEVXUHALSZIKH-GFCCVEGCSA-N 1 2 297.330 2.257 20 5 CEBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC(F)(F)CO ZINC000344784102 217311350 /nfs/dbraw/zinc/31/13/50/217311350.db2.gz KXRLCPGVIAMAIL-BJMVGYQFSA-N 1 2 286.278 2.215 20 5 CEBDLO COCc1nc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cs1 ZINC000272019712 373264842 /nfs/dbraw/zinc/26/48/42/373264842.db2.gz LDFVBSCWDYDNHZ-UHFFFAOYSA-N 1 2 293.348 2.488 20 5 CEBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000277220297 374443778 /nfs/dbraw/zinc/44/37/78/374443778.db2.gz NXBYHIWPKKXJLC-XXRNEEKGSA-N 1 2 296.392 2.499 20 5 CEBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000277220297 374443781 /nfs/dbraw/zinc/44/37/81/374443781.db2.gz NXBYHIWPKKXJLC-XXRNEEKGSA-N 1 2 296.392 2.499 20 5 CEBDLO Cc1ccc(C[N@@H+]2CC[S@](=O)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000277386658 374499642 /nfs/dbraw/zinc/49/96/42/374499642.db2.gz GPFDVKAHHAWFQX-GIPWTMENSA-N 1 2 296.392 2.104 20 5 CEBDLO Cc1ccc(C[N@H+]2CC[S@](=O)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000277386658 374499648 /nfs/dbraw/zinc/49/96/48/374499648.db2.gz GPFDVKAHHAWFQX-GIPWTMENSA-N 1 2 296.392 2.104 20 5 CEBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000277584816 374572116 /nfs/dbraw/zinc/57/21/16/374572116.db2.gz WEHYQPYNJGRIAI-JGRMJRGVSA-N 1 2 296.392 2.356 20 5 CEBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000277584816 374572120 /nfs/dbraw/zinc/57/21/20/374572120.db2.gz WEHYQPYNJGRIAI-JGRMJRGVSA-N 1 2 296.392 2.356 20 5 CEBDLO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCOCC1CCC1)CC2 ZINC000419243343 376410344 /nfs/dbraw/zinc/41/03/44/376410344.db2.gz IUSXLOASDXAEPT-UHFFFAOYSA-N 1 2 291.351 2.165 20 5 CEBDLO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCOCC1CCC1)CC2 ZINC000419243343 376410350 /nfs/dbraw/zinc/41/03/50/376410350.db2.gz IUSXLOASDXAEPT-UHFFFAOYSA-N 1 2 291.351 2.165 20 5 CEBDLO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](C)Cn1cc[nH+]c1 ZINC000288062911 376369023 /nfs/dbraw/zinc/36/90/23/376369023.db2.gz GEKDUWGXCPWYRB-JTQLQIEISA-N 1 2 292.343 2.064 20 5 CEBDLO C[C@H](Cn1cc[nH+]c1)Nc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000290457133 376788092 /nfs/dbraw/zinc/78/80/92/376788092.db2.gz DYFFFPSRPFMZFT-SNVBAGLBSA-N 1 2 287.323 2.260 20 5 CEBDLO Cc1cc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)cc(C)[nH+]1 ZINC000421564450 376827028 /nfs/dbraw/zinc/82/70/28/376827028.db2.gz ZKQIHAGOIHHCHI-UHFFFAOYSA-N 1 2 299.330 2.466 20 5 CEBDLO C[C@@H]1CC[C@@H]([N@H+](CCO)Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000330449558 377138003 /nfs/dbraw/zinc/13/80/03/377138003.db2.gz JDVOBLDYRHYAFV-DGCLKSJQSA-N 1 2 294.351 2.283 20 5 CEBDLO C[C@@H]1CC[C@@H]([N@@H+](CCO)Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000330449558 377138009 /nfs/dbraw/zinc/13/80/09/377138009.db2.gz JDVOBLDYRHYAFV-DGCLKSJQSA-N 1 2 294.351 2.283 20 5 CEBDLO O=C(N[C@@H]1CC12CC2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000424970413 377315271 /nfs/dbraw/zinc/31/52/71/377315271.db2.gz MOZSQFHYDMGCJY-CYBMUJFWSA-N 1 2 298.302 2.063 20 5 CEBDLO COc1cccc([N+](=O)[O-])c1N[C@@H](C)Cn1cc[nH+]c1 ZINC000565222746 377615368 /nfs/dbraw/zinc/61/53/68/377615368.db2.gz QXYPENAMJNTKAT-JTQLQIEISA-N 1 2 276.296 2.301 20 5 CEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@](C)(F)C1 ZINC000347343775 218197755 /nfs/dbraw/zinc/19/77/55/218197755.db2.gz HELUIQDIYXZLMA-QMTHXVAHSA-N 1 2 295.314 2.356 20 5 CEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@](C)(F)C1 ZINC000347343775 218197756 /nfs/dbraw/zinc/19/77/56/218197756.db2.gz HELUIQDIYXZLMA-QMTHXVAHSA-N 1 2 295.314 2.356 20 5 CEBDLO CC[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1nc(C)cs1 ZINC000347627985 218297525 /nfs/dbraw/zinc/29/75/25/218297525.db2.gz YSWWGQYAYJBPIV-VIFPVBQESA-N 1 2 295.368 2.334 20 5 CEBDLO CCc1ccc(C(=O)NCc2[nH]c[nH+]c2C)cc1[N+](=O)[O-] ZINC000267213867 190312494 /nfs/dbraw/zinc/31/24/94/190312494.db2.gz NCYVTKBNICZWII-UHFFFAOYSA-N 1 2 288.307 2.119 20 5 CEBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@]12CCOC2 ZINC000421021274 394468236 /nfs/dbraw/zinc/46/82/36/394468236.db2.gz OJGGOWFWCUGVKN-OAHLLOKOSA-N 1 2 292.335 2.358 20 5 CEBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@]12CCOC2 ZINC000421021274 394468237 /nfs/dbraw/zinc/46/82/37/394468237.db2.gz OJGGOWFWCUGVKN-OAHLLOKOSA-N 1 2 292.335 2.358 20 5 CEBDLO C[C@H](C[S@](C)=O)Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413230065 394508197 /nfs/dbraw/zinc/50/81/97/394508197.db2.gz KNVPRRGCDDCMBE-YBYGRFCBSA-N 1 2 293.348 2.322 20 5 CEBDLO C[C@H](CCO)CCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413337898 394530080 /nfs/dbraw/zinc/53/00/80/394530080.db2.gz WWQNZICWYPFRMF-NSHDSACASA-N 1 2 289.335 2.385 20 5 CEBDLO CCn1c(C)nc([N+](=O)[O-])c1NCCc1ccc(C)c[nH+]1 ZINC000413346868 394531614 /nfs/dbraw/zinc/53/16/14/394531614.db2.gz JDHVCQJVZCXBJG-UHFFFAOYSA-N 1 2 289.339 2.478 20 5 CEBDLO Cc1cc2[nH+]cn(Cc3c([N+](=O)[O-])ncn3C)c2cc1C ZINC000440406968 395315988 /nfs/dbraw/zinc/31/59/88/395315988.db2.gz SEFSQMKVBRAVJP-UHFFFAOYSA-N 1 2 285.307 2.343 20 5 CEBDLO Nc1cc(CSc2ncccc2[N+](=O)[O-])cc[nH+]1 ZINC000195500829 395467187 /nfs/dbraw/zinc/46/71/87/395467187.db2.gz MCLWLANHWDKJQJ-UHFFFAOYSA-N 1 2 262.294 2.259 20 5 CEBDLO Cc1cc(CNc2ncc([N+](=O)[O-])cc2C)cc(C)[nH+]1 ZINC000420649577 395403242 /nfs/dbraw/zinc/40/32/42/395403242.db2.gz GMKCFTUGQZMIGJ-UHFFFAOYSA-N 1 2 272.308 2.344 20 5 CEBDLO CC[C@@H]1CC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000574823912 395638383 /nfs/dbraw/zinc/63/83/83/395638383.db2.gz QVODUJNPIZCYJA-SECBINFHSA-N 1 2 260.297 2.455 20 5 CEBDLO CC[C@@H]1CC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000574823912 395638384 /nfs/dbraw/zinc/63/83/84/395638384.db2.gz QVODUJNPIZCYJA-SECBINFHSA-N 1 2 260.297 2.455 20 5 CEBDLO CC[C@H]1CC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000574823913 395638526 /nfs/dbraw/zinc/63/85/26/395638526.db2.gz QVODUJNPIZCYJA-VIFPVBQESA-N 1 2 260.297 2.455 20 5 CEBDLO CC[C@H]1CC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000574823913 395638527 /nfs/dbraw/zinc/63/85/27/395638527.db2.gz QVODUJNPIZCYJA-VIFPVBQESA-N 1 2 260.297 2.455 20 5 CEBDLO CO[C@H]1CCCC[C@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339091994 286038522 /nfs/dbraw/zinc/03/85/22/286038522.db2.gz RAVVFUNZUGHZPD-OCCSQVGLSA-N 1 2 280.324 2.348 20 5 CEBDLO C[C@@H]([NH2+]Cc1ncccn1)c1cccc([N+](=O)[O-])c1 ZINC000192152503 153204764 /nfs/dbraw/zinc/20/47/64/153204764.db2.gz CBTYGIDOYTWHDK-SNVBAGLBSA-N 1 2 258.281 2.236 20 5 CEBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000368888453 156410457 /nfs/dbraw/zinc/41/04/57/156410457.db2.gz KXROZBZXUIRRFF-OAHLLOKOSA-N 1 2 292.335 2.084 20 5 CEBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000368888453 156410459 /nfs/dbraw/zinc/41/04/59/156410459.db2.gz KXROZBZXUIRRFF-OAHLLOKOSA-N 1 2 292.335 2.084 20 5 CEBDLO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H](O)C3(CC3)C2)ccc1Cl ZINC000375313186 157075290 /nfs/dbraw/zinc/07/52/90/157075290.db2.gz BYXHDESAXVVYBQ-GFCCVEGCSA-N 1 2 282.727 2.205 20 5 CEBDLO O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)ccc1Cl ZINC000375313186 157075291 /nfs/dbraw/zinc/07/52/91/157075291.db2.gz BYXHDESAXVVYBQ-GFCCVEGCSA-N 1 2 282.727 2.205 20 5 CEBDLO C[C@@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CCCO1 ZINC000171670359 162386376 /nfs/dbraw/zinc/38/63/76/162386376.db2.gz NWKIBTZMLYIJOP-SNVBAGLBSA-N 1 2 268.288 2.345 20 5 CEBDLO C[C@@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CCCO1 ZINC000171670359 162386379 /nfs/dbraw/zinc/38/63/79/162386379.db2.gz NWKIBTZMLYIJOP-SNVBAGLBSA-N 1 2 268.288 2.345 20 5 CEBDLO C[C@@]1(O)CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285603940 196340756 /nfs/dbraw/zinc/34/07/56/196340756.db2.gz LPWMUSLMITWTAB-CYBMUJFWSA-N 1 2 286.278 2.220 20 5 CEBDLO C[C@@]1(O)CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285603940 196340758 /nfs/dbraw/zinc/34/07/58/196340758.db2.gz LPWMUSLMITWTAB-CYBMUJFWSA-N 1 2 286.278 2.220 20 5 CEBDLO O=[N+]([O-])c1c(F)cccc1NCCCn1cc[nH+]c1 ZINC000037420814 173197515 /nfs/dbraw/zinc/19/75/15/173197515.db2.gz ROYUAVDCUHANOM-UHFFFAOYSA-N 1 2 264.260 2.433 20 5 CEBDLO C[C@H]([NH2+]Cc1nccn1C)c1ccccc1[N+](=O)[O-] ZINC000071272969 176105085 /nfs/dbraw/zinc/10/50/85/176105085.db2.gz VBBUURKCIZHSRX-JTQLQIEISA-N 1 2 260.297 2.179 20 5 CEBDLO CC1=C[C@@H](C)C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000430266177 263013425 /nfs/dbraw/zinc/01/34/25/263013425.db2.gz GOORPWGDQUWOJP-LLVKDONJSA-N 1 2 289.335 2.431 20 5 CEBDLO CC1=C[C@@H](C)C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000430266177 263013426 /nfs/dbraw/zinc/01/34/26/263013426.db2.gz GOORPWGDQUWOJP-LLVKDONJSA-N 1 2 289.335 2.431 20 5 CEBDLO COC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000052307139 277388513 /nfs/dbraw/zinc/38/85/13/277388513.db2.gz MAMFOEWBGZAYPM-CQSZACIVSA-N 1 2 292.335 2.431 20 5 CEBDLO COC(=O)[C@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000052307139 277388515 /nfs/dbraw/zinc/38/85/15/277388515.db2.gz MAMFOEWBGZAYPM-CQSZACIVSA-N 1 2 292.335 2.431 20 5 CEBDLO Cc1cc(N2CCn3c[nH+]cc3C2)ccc1[N+](=O)[O-] ZINC000290743253 280582533 /nfs/dbraw/zinc/58/25/33/280582533.db2.gz RSBQRNJDAIYGBD-UHFFFAOYSA-N 1 2 258.281 2.120 20 5 CEBDLO Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)c(C)[nH+]1 ZINC000446593891 281768051 /nfs/dbraw/zinc/76/80/51/281768051.db2.gz PVUIAMMKDCLVMO-UHFFFAOYSA-N 1 2 260.253 2.187 20 5 CEBDLO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(F)F ZINC000156734746 289202017 /nfs/dbraw/zinc/20/20/17/289202017.db2.gz XNUYHJJHHBNZFD-UHFFFAOYSA-N 1 2 287.266 2.120 20 5 CEBDLO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(F)F ZINC000156734746 289202019 /nfs/dbraw/zinc/20/20/19/289202019.db2.gz XNUYHJJHHBNZFD-UHFFFAOYSA-N 1 2 287.266 2.120 20 5 CEBDLO CO[C@H]1C[C@@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C12CCC2 ZINC000459729012 290218980 /nfs/dbraw/zinc/21/89/80/290218980.db2.gz DBEAQWDCNQFYDB-KGLIPLIRSA-N 1 2 292.335 2.348 20 5 CEBDLO CO[C@@H]1C[C@@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C12CCC2 ZINC000459729016 290219309 /nfs/dbraw/zinc/21/93/09/290219309.db2.gz DBEAQWDCNQFYDB-ZIAGYGMSSA-N 1 2 292.335 2.348 20 5 CEBDLO CCc1nn(C)c(NCCc2ccc(C)[nH+]c2)c1[N+](=O)[O-] ZINC000539859932 298258339 /nfs/dbraw/zinc/25/83/39/298258339.db2.gz MPPPSWDFNBKGQA-UHFFFAOYSA-N 1 2 289.339 2.249 20 5 CEBDLO Cc1nc(NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)cc[nH+]1 ZINC000554689957 298518840 /nfs/dbraw/zinc/51/88/40/298518840.db2.gz MUIXBDREUQJEQA-UHFFFAOYSA-N 1 2 297.318 2.251 20 5 CEBDLO C[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ncnn1C ZINC000565216444 298888007 /nfs/dbraw/zinc/88/80/07/298888007.db2.gz JWHXCFDGVKITDC-JOYOIKCWSA-N 1 2 287.323 2.061 20 5 CEBDLO C[C@@H](NC(=O)C[NH+]1CC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000570875839 314062760 /nfs/dbraw/zinc/06/27/60/314062760.db2.gz YACVCVKJZJTJQQ-LLVKDONJSA-N 1 2 291.351 2.114 20 5 CEBDLO C[C@H](Cn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])cc1F ZINC000049236074 524794687 /nfs/dbraw/zinc/79/46/87/524794687.db2.gz ZEHRCFNVXXYWAZ-SECBINFHSA-N 1 2 264.260 2.431 20 5 CEBDLO CC(=O)c1ccc(N(C)Cc2[nH]cc[nH+]2)c([N+](=O)[O-])c1 ZINC000735832739 574768177 /nfs/dbraw/zinc/76/81/77/574768177.db2.gz NHBTWRRQWDVSJD-UHFFFAOYSA-N 1 2 274.280 2.157 20 5 CEBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCCOCC1 ZINC000746663052 575162177 /nfs/dbraw/zinc/16/21/77/575162177.db2.gz MXONNAHBWUSQFR-UHFFFAOYSA-N 1 2 270.716 2.471 20 5 CEBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCCOCC1 ZINC000746663052 575162178 /nfs/dbraw/zinc/16/21/78/575162178.db2.gz MXONNAHBWUSQFR-UHFFFAOYSA-N 1 2 270.716 2.471 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1OC(=O)CCCn1cc[nH+]c1 ZINC000748620805 575191255 /nfs/dbraw/zinc/19/12/55/575191255.db2.gz NHHZGTJRSFJHPG-UHFFFAOYSA-N 1 2 289.291 2.486 20 5 CEBDLO C[C@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])CCO1 ZINC000932349549 622654785 /nfs/dbraw/zinc/65/47/85/622654785.db2.gz GPALPKSCCHFVNS-JTQLQIEISA-N 1 2 268.288 2.345 20 5 CEBDLO C[C@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])CCO1 ZINC000932349549 622654787 /nfs/dbraw/zinc/65/47/87/622654787.db2.gz GPALPKSCCHFVNS-JTQLQIEISA-N 1 2 268.288 2.345 20 5 CEBDLO O=C(OC1CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000783181551 627362707 /nfs/dbraw/zinc/36/27/07/627362707.db2.gz FMXCSRKIHXFETK-UHFFFAOYSA-N 1 2 273.248 2.100 20 5 CEBDLO O=[N+]([O-])c1ncccc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000895346328 630126991 /nfs/dbraw/zinc/12/69/91/630126991.db2.gz HTOGNGLTESHQFO-UHFFFAOYSA-N 1 2 299.334 2.466 20 5 CEBDLO CC[C@H](C[NH+]1CCOCC1)Nc1ccc([N+](=O)[O-])s1 ZINC000895805962 630356062 /nfs/dbraw/zinc/35/60/62/630356062.db2.gz YGGOEJBAXKKOGS-SNVBAGLBSA-N 1 2 285.369 2.179 20 5 CEBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@H](O)C(F)(F)F ZINC000801526251 631283786 /nfs/dbraw/zinc/28/37/86/631283786.db2.gz GLKQEZZRXGXKAG-JTQLQIEISA-N 1 2 296.220 2.089 20 5 CEBDLO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@H](O)C(F)(F)F ZINC000801526251 631283793 /nfs/dbraw/zinc/28/37/93/631283793.db2.gz GLKQEZZRXGXKAG-JTQLQIEISA-N 1 2 296.220 2.089 20 5 CEBDLO Nc1ccc(CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])c[nH+]1 ZINC000804647318 631717753 /nfs/dbraw/zinc/71/77/53/631717753.db2.gz MXGCAYNRYMIRHQ-UHFFFAOYSA-N 1 2 289.251 2.092 20 5 CEBDLO COc1cc([C@H](C)[NH2+]Cc2cc[nH]n2)cc([N+](=O)[O-])c1 ZINC000903092485 634975266 /nfs/dbraw/zinc/97/52/66/634975266.db2.gz KJIXXFABCURHAC-VIFPVBQESA-N 1 2 276.296 2.177 20 5 CEBDLO O=[N+]([O-])c1ccc(CCO)c(-c2c[nH+]c3c(c2)CCCN3)c1 ZINC000906180625 636641021 /nfs/dbraw/zinc/64/10/21/636641021.db2.gz XARJKENCXZUSRD-UHFFFAOYSA-N 1 2 299.330 2.192 20 5 CEBDLO Cn1cnc([N+](=O)[O-])c1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000921189859 641235372 /nfs/dbraw/zinc/23/53/72/641235372.db2.gz CNLZPKLTKZNIOY-UHFFFAOYSA-N 1 2 298.306 2.126 20 5 CEBDLO O=[N+]([O-])c1ccc(C[NH+]2CC(CCO)C2)cc1Cl ZINC000839137108 644170781 /nfs/dbraw/zinc/17/07/81/644170781.db2.gz ZPFBEUAMTQTISO-UHFFFAOYSA-N 1 2 270.716 2.062 20 5 CEBDLO Cc1c(C(=O)OCCCn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000763287273 645528575 /nfs/dbraw/zinc/52/85/75/645528575.db2.gz LIMRSQXRBPYJNQ-UHFFFAOYSA-N 1 2 289.291 2.347 20 5 CEBDLO Cc1cc(C)cc(C[N@H+](C)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000766091034 645846621 /nfs/dbraw/zinc/84/66/21/645846621.db2.gz KWXFOFNBXQIKKH-UHFFFAOYSA-N 1 2 274.324 2.498 20 5 CEBDLO Cc1cc(C)cc(C[N@@H+](C)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000766091034 645846625 /nfs/dbraw/zinc/84/66/25/645846625.db2.gz KWXFOFNBXQIKKH-UHFFFAOYSA-N 1 2 274.324 2.498 20 5 CEBDLO O=[N+]([O-])c1ccnn1C[NH+]1CCC(c2cccnc2)CC1 ZINC000768459735 646126875 /nfs/dbraw/zinc/12/68/75/646126875.db2.gz OVKZTVUJQGEFFD-UHFFFAOYSA-N 1 2 287.323 2.023 20 5 CEBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3ccoc3)nc2c1 ZINC000775177560 646928076 /nfs/dbraw/zinc/92/80/76/646928076.db2.gz AZBMRBRVDIVXPE-UHFFFAOYSA-N 1 2 272.264 2.354 20 5 CEBDLO Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000786959290 648060233 /nfs/dbraw/zinc/06/02/33/648060233.db2.gz QJZYXNCWUXOGPU-UHFFFAOYSA-N 1 2 297.274 2.077 20 5 CEBDLO CCC[N@H+](CC[N+](=O)[O-])[C@@H](C)C(=O)Nc1ccccc1 ZINC000791051364 648476200 /nfs/dbraw/zinc/47/62/00/648476200.db2.gz BONNDIAXBXYHDI-LBPRGKRZSA-N 1 2 279.340 2.002 20 5 CEBDLO CCC[N@@H+](CC[N+](=O)[O-])[C@@H](C)C(=O)Nc1ccccc1 ZINC000791051364 648476203 /nfs/dbraw/zinc/47/62/03/648476203.db2.gz BONNDIAXBXYHDI-LBPRGKRZSA-N 1 2 279.340 2.002 20 5 CEBDLO CC[C@H]1COCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1F ZINC000872772640 649482150 /nfs/dbraw/zinc/48/21/50/649482150.db2.gz XLABJFMDQRIVEZ-NSHDSACASA-N 1 2 297.330 2.257 20 5 CEBDLO CC[C@H]1COCC[N@H+]1CCNc1ccc([N+](=O)[O-])cc1F ZINC000872772640 649482151 /nfs/dbraw/zinc/48/21/51/649482151.db2.gz XLABJFMDQRIVEZ-NSHDSACASA-N 1 2 297.330 2.257 20 5 CEBDLO Cc1c(C[NH2+][C@@H]2C[C@H](C)n3ncnc32)cccc1[N+](=O)[O-] ZINC000873135871 649566978 /nfs/dbraw/zinc/56/69/78/649566978.db2.gz OXQBGUSFEIESNC-JOYOIKCWSA-N 1 2 287.323 2.290 20 5 CEBDLO CCO[C@H]1C[C@H]([N@H+](C)Cn2nccc2[N+](=O)[O-])C12CCC2 ZINC000127253570 651151542 /nfs/dbraw/zinc/15/15/42/651151542.db2.gz FQGIVYYRLAWCSY-RYUDHWBXSA-N 1 2 294.355 2.028 20 5 CEBDLO CCO[C@H]1C[C@H]([N@@H+](C)Cn2nccc2[N+](=O)[O-])C12CCC2 ZINC000127253570 651151545 /nfs/dbraw/zinc/15/15/45/651151545.db2.gz FQGIVYYRLAWCSY-RYUDHWBXSA-N 1 2 294.355 2.028 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@H](CF)C1 ZINC000880298995 651419200 /nfs/dbraw/zinc/41/92/00/651419200.db2.gz MVQXOUSEEJNCMI-VIFPVBQESA-N 1 2 254.261 2.092 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@H](CF)C1 ZINC000880298995 651419201 /nfs/dbraw/zinc/41/92/01/651419201.db2.gz MVQXOUSEEJNCMI-VIFPVBQESA-N 1 2 254.261 2.092 20 5 CEBDLO Cc1ccc([N+](=O)[O-])c(N(C(N)=[NH2+])c2ccc(F)cc2)n1 ZINC001167991465 805591342 /nfs/dbraw/zinc/59/13/42/805591342.db2.gz IFYLYXGOAXBHHX-UHFFFAOYSA-N 1 2 289.270 2.469 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1N[C@@H]1CCC[N@@H+](C2COC2)C1 ZINC001168369429 806915067 /nfs/dbraw/zinc/91/50/67/806915067.db2.gz BPZGKHYYODDKGY-GFCCVEGCSA-N 1 2 291.351 2.178 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1N[C@@H]1CCC[N@H+](C2COC2)C1 ZINC001168369429 806915072 /nfs/dbraw/zinc/91/50/72/806915072.db2.gz BPZGKHYYODDKGY-GFCCVEGCSA-N 1 2 291.351 2.178 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1O[C@H]1CC[NH2+]CC1(F)F ZINC001218004541 803531557 /nfs/dbraw/zinc/53/15/57/803531557.db2.gz ACIIALQRVXRWAZ-NSHDSACASA-N 1 2 272.251 2.279 20 5 CEBDLO Nc1cc(CNc2cc([N+](=O)[O-])c3cc[nH]c3n2)cc[nH+]1 ZINC001156756782 811899846 /nfs/dbraw/zinc/89/98/46/811899846.db2.gz GKNFBZKDIJHEML-UHFFFAOYSA-N 1 2 284.279 2.060 20 5 CEBDLO CCOC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C(C)C ZINC000048567999 362286017 /nfs/dbraw/zinc/28/60/17/362286017.db2.gz LIQCOEKDMBBRDK-UHFFFAOYSA-N 1 2 280.324 2.368 20 5 CEBDLO CCOC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C(C)C ZINC000048567999 362286024 /nfs/dbraw/zinc/28/60/24/362286024.db2.gz LIQCOEKDMBBRDK-UHFFFAOYSA-N 1 2 280.324 2.368 20 5 CEBDLO CCn1cc([C@H](C)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])cn1 ZINC000449668115 282323888 /nfs/dbraw/zinc/32/38/88/282323888.db2.gz KCWQJIKIDKPSFC-JTQLQIEISA-N 1 2 290.323 2.368 20 5 CEBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H](CO)C(C)(C)C ZINC000093821730 344230558 /nfs/dbraw/zinc/23/05/58/344230558.db2.gz VUEQFDYLQFEQRR-ZDUSSCGKSA-N 1 2 282.340 2.139 20 5 CEBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H](CO)C(C)(C)C ZINC000093821730 344230560 /nfs/dbraw/zinc/23/05/60/344230560.db2.gz VUEQFDYLQFEQRR-ZDUSSCGKSA-N 1 2 282.340 2.139 20 5 CEBDLO C[C@H]1c2ccccc2C[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602475926 347050055 /nfs/dbraw/zinc/05/00/55/347050055.db2.gz UPYIMDOVNYWVBC-JTQLQIEISA-N 1 2 272.308 2.405 20 5 CEBDLO C[C@H]1c2ccccc2C[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602475926 347050057 /nfs/dbraw/zinc/05/00/57/347050057.db2.gz UPYIMDOVNYWVBC-JTQLQIEISA-N 1 2 272.308 2.405 20 5 CEBDLO COCc1cc([N+](=O)[O-])ccc1NCc1c[nH+]cn1C ZINC000291051569 344685358 /nfs/dbraw/zinc/68/53/58/344685358.db2.gz DQLWIMXPJKLQLT-UHFFFAOYSA-N 1 2 276.296 2.087 20 5 CEBDLO COc1cc(NCc2c[nH+]cn2C)c(F)cc1[N+](=O)[O-] ZINC000291148333 344685427 /nfs/dbraw/zinc/68/54/27/344685427.db2.gz OUYPTCUQAXDGBL-UHFFFAOYSA-N 1 2 280.259 2.088 20 5 CEBDLO CC1(C)C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H]2COC[C@@H]21 ZINC000449780884 282364949 /nfs/dbraw/zinc/36/49/49/282364949.db2.gz GUTOJVITGRTRPO-GXTWGEPZSA-N 1 2 292.335 2.157 20 5 CEBDLO CC1(C)C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H]2COC[C@@H]21 ZINC000449780884 282364952 /nfs/dbraw/zinc/36/49/52/282364952.db2.gz GUTOJVITGRTRPO-GXTWGEPZSA-N 1 2 292.335 2.157 20 5 CEBDLO O=C(Cn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000010809384 232173421 /nfs/dbraw/zinc/17/34/21/232173421.db2.gz DPPDHDDEZBOBMA-UHFFFAOYSA-N 1 2 280.671 2.083 20 5 CEBDLO Cc1cc(NCC(C)(C)[NH+]2CCOCC2)c([N+](=O)[O-])s1 ZINC000596056174 345929834 /nfs/dbraw/zinc/92/98/34/345929834.db2.gz YRSAEPNMRHDERV-UHFFFAOYSA-N 1 2 299.396 2.487 20 5 CEBDLO Cc1cc(NCCc2cn(C)c[nH+]2)c([N+](=O)[O-])s1 ZINC000596263753 345984755 /nfs/dbraw/zinc/98/47/55/345984755.db2.gz GIFGHRGREVNYGK-UHFFFAOYSA-N 1 2 266.326 2.353 20 5 CEBDLO CC(C)[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000339207243 215014112 /nfs/dbraw/zinc/01/41/12/215014112.db2.gz JTVQKJFQKKVOHO-LBPRGKRZSA-N 1 2 280.324 2.300 20 5 CEBDLO CC(C)[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000339207243 215014114 /nfs/dbraw/zinc/01/41/14/215014114.db2.gz JTVQKJFQKKVOHO-LBPRGKRZSA-N 1 2 280.324 2.300 20 5 CEBDLO Cc1cc[nH+]c([C@H]2CCN(c3ncc([N+](=O)[O-])cn3)C2)c1 ZINC000599099211 346460508 /nfs/dbraw/zinc/46/05/08/346460508.db2.gz FUPTUQGMMKEOBD-NSHDSACASA-N 1 2 285.307 2.082 20 5 CEBDLO Cn1cc(C[N@@H+]2CCC[C@H]2c2ccncc2)c([N+](=O)[O-])n1 ZINC000602660157 347128638 /nfs/dbraw/zinc/12/86/38/347128638.db2.gz ZLOBVIVBRNOKPF-ZDUSSCGKSA-N 1 2 287.323 2.060 20 5 CEBDLO Cn1cc(C[N@H+]2CCC[C@H]2c2ccncc2)c([N+](=O)[O-])n1 ZINC000602660157 347128640 /nfs/dbraw/zinc/12/86/40/347128640.db2.gz ZLOBVIVBRNOKPF-ZDUSSCGKSA-N 1 2 287.323 2.060 20 5 CEBDLO CC1(C)CO[C@@H](C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)C1 ZINC000602802682 347205780 /nfs/dbraw/zinc/20/57/80/347205780.db2.gz SEMUJGFLDXWPIN-CYBMUJFWSA-N 1 2 291.351 2.163 20 5 CEBDLO CC1(C)CO[C@@H](C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)C1 ZINC000602802682 347205784 /nfs/dbraw/zinc/20/57/84/347205784.db2.gz SEMUJGFLDXWPIN-CYBMUJFWSA-N 1 2 291.351 2.163 20 5 CEBDLO Cc1cc2[nH+]cn(Cc3cn(C)nc3[N+](=O)[O-])c2cc1C ZINC000603325295 347337802 /nfs/dbraw/zinc/33/78/02/347337802.db2.gz KCESSLLPCWUTAJ-UHFFFAOYSA-N 1 2 285.307 2.343 20 5 CEBDLO CC(C)(Nc1ncc([N+](=O)[O-])s1)c1[nH]cc[nH+]1 ZINC000603407187 347361492 /nfs/dbraw/zinc/36/14/92/347361492.db2.gz PUADMDSLZPFLRS-UHFFFAOYSA-N 1 2 253.287 2.122 20 5 CEBDLO C[C@@H]1CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000604438380 347415946 /nfs/dbraw/zinc/41/59/46/347415946.db2.gz GZSOPLXXPJIETE-SNVBAGLBSA-N 1 2 286.291 2.015 20 5 CEBDLO Cc1ccnc(N2CCC[C@@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000609670447 347649126 /nfs/dbraw/zinc/64/91/26/347649126.db2.gz YACAVOLELVBMBB-GFCCVEGCSA-N 1 2 287.323 2.336 20 5 CEBDLO Cc1nc2n(n1)CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000611272137 347761954 /nfs/dbraw/zinc/76/19/54/347761954.db2.gz VEDNPEMMRNHLNC-XQRVVYSFSA-N 1 2 299.334 2.024 20 5 CEBDLO Cc1nc2n(n1)CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000611272137 347761955 /nfs/dbraw/zinc/76/19/55/347761955.db2.gz VEDNPEMMRNHLNC-XQRVVYSFSA-N 1 2 299.334 2.024 20 5 CEBDLO C[C@H](Cn1cc[nH+]c1)Nc1sccc1[N+](=O)[O-] ZINC000611411738 347775622 /nfs/dbraw/zinc/77/56/22/347775622.db2.gz XPISXURNFCCTQZ-MRVPVSSYSA-N 1 2 252.299 2.353 20 5 CEBDLO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)C[C@@H]1C ZINC000611088096 347737906 /nfs/dbraw/zinc/73/79/06/347737906.db2.gz CKWZBZUNDXXRCZ-VIFPVBQESA-N 1 2 297.380 2.131 20 5 CEBDLO CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)C[C@@H]1C ZINC000611088096 347737907 /nfs/dbraw/zinc/73/79/07/347737907.db2.gz CKWZBZUNDXXRCZ-VIFPVBQESA-N 1 2 297.380 2.131 20 5 CEBDLO CC(C)(C)C[N@H+](CCO)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000611269560 347760952 /nfs/dbraw/zinc/76/09/52/347760952.db2.gz PMZQROOGOJZTCE-UHFFFAOYSA-N 1 2 282.340 2.141 20 5 CEBDLO CC(C)(C)C[N@@H+](CCO)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000611269560 347760954 /nfs/dbraw/zinc/76/09/54/347760954.db2.gz PMZQROOGOJZTCE-UHFFFAOYSA-N 1 2 282.340 2.141 20 5 CEBDLO CO[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000611984177 347831412 /nfs/dbraw/zinc/83/14/12/347831412.db2.gz PDLCLODNCKEJJI-CYBMUJFWSA-N 1 2 280.324 2.301 20 5 CEBDLO CC[C@H]1COCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351931103 219254025 /nfs/dbraw/zinc/25/40/25/219254025.db2.gz OFILLRULTMGHCN-LBPRGKRZSA-N 1 2 280.324 2.214 20 5 CEBDLO CC[C@H]1COCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351931103 219254026 /nfs/dbraw/zinc/25/40/26/219254026.db2.gz OFILLRULTMGHCN-LBPRGKRZSA-N 1 2 280.324 2.214 20 5 CEBDLO COc1cc(N[C@H](C)Cn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000111048470 186348683 /nfs/dbraw/zinc/34/86/83/186348683.db2.gz IRALVXYUVIGNDW-SNVBAGLBSA-N 1 2 276.296 2.301 20 5 CEBDLO CC(C)([NH2+]Cc1cnc[nH]1)c1ccccc1[N+](=O)[O-] ZINC000292268810 198224863 /nfs/dbraw/zinc/22/48/63/198224863.db2.gz ZIXVKUJQCYRYPS-UHFFFAOYSA-N 1 2 260.297 2.343 20 5 CEBDLO CCCC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000135177192 366404081 /nfs/dbraw/zinc/40/40/81/366404081.db2.gz QJPOPJGKNCMSJU-AWEZNQCLSA-N 1 2 294.351 2.459 20 5 CEBDLO CCCC[N@H+](CCCO)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339074540 366641653 /nfs/dbraw/zinc/64/16/53/366641653.db2.gz BRBBIMQDHXSTNG-UHFFFAOYSA-N 1 2 282.340 2.285 20 5 CEBDLO CCCC[N@@H+](CCCO)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339074540 366641659 /nfs/dbraw/zinc/64/16/59/366641659.db2.gz BRBBIMQDHXSTNG-UHFFFAOYSA-N 1 2 282.340 2.285 20 5 CEBDLO CC[C@@H]([NH2+]Cc1nnc(C)n1C)c1cccc([N+](=O)[O-])c1 ZINC000178308117 189105442 /nfs/dbraw/zinc/10/54/42/189105442.db2.gz SAVYQNAMWNJHRM-CYBMUJFWSA-N 1 2 289.339 2.273 20 5 CEBDLO C[N@H+](Cc1ccc(CO)o1)Cc1ccccc1[N+](=O)[O-] ZINC000179315998 189185529 /nfs/dbraw/zinc/18/55/29/189185529.db2.gz XZGIZXKPUDTPDF-UHFFFAOYSA-N 1 2 276.292 2.312 20 5 CEBDLO C[N@@H+](Cc1ccc(CO)o1)Cc1ccccc1[N+](=O)[O-] ZINC000179315998 189185530 /nfs/dbraw/zinc/18/55/30/189185530.db2.gz XZGIZXKPUDTPDF-UHFFFAOYSA-N 1 2 276.292 2.312 20 5 CEBDLO C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1cccc(F)c1F ZINC000342232270 216271445 /nfs/dbraw/zinc/27/14/45/216271445.db2.gz XOLQTZJGHQSSPR-MRVPVSSYSA-N 1 2 296.277 2.457 20 5 CEBDLO Cn1c[nH+]cc1Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000340873598 367068641 /nfs/dbraw/zinc/06/86/41/367068641.db2.gz PRQYPKNPHGEXSU-UHFFFAOYSA-N 1 2 291.698 2.380 20 5 CEBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+](CCCO)C2CC2)c(F)c1 ZINC000586764770 367187949 /nfs/dbraw/zinc/18/79/49/367187949.db2.gz JSUHUCZBDJIYBD-UHFFFAOYSA-N 1 2 286.278 2.220 20 5 CEBDLO O=[N+]([O-])c1cc(F)c(C[N@H+](CCCO)C2CC2)c(F)c1 ZINC000586764770 367187954 /nfs/dbraw/zinc/18/79/54/367187954.db2.gz JSUHUCZBDJIYBD-UHFFFAOYSA-N 1 2 286.278 2.220 20 5 CEBDLO COc1cc(C[NH2+]Cc2ccoc2)c([N+](=O)[O-])cc1O ZINC000171128426 367484801 /nfs/dbraw/zinc/48/48/01/367484801.db2.gz ANKUHRUEKQURTF-UHFFFAOYSA-N 1 2 278.264 2.192 20 5 CEBDLO CCOC(=O)[C@H](C)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000343609188 367913830 /nfs/dbraw/zinc/91/38/30/367913830.db2.gz LBDLNOVDNYWMLK-NSHDSACASA-N 1 2 280.324 2.021 20 5 CEBDLO CCOC(=O)[C@H](C)[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000343609188 367913833 /nfs/dbraw/zinc/91/38/33/367913833.db2.gz LBDLNOVDNYWMLK-NSHDSACASA-N 1 2 280.324 2.021 20 5 CEBDLO COC(=O)[C@]1(C)CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000186376175 368965514 /nfs/dbraw/zinc/96/55/14/368965514.db2.gz ZRACBRXZXQTDBQ-AWEZNQCLSA-N 1 2 278.308 2.122 20 5 CEBDLO COC(=O)[C@]1(C)CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000186376175 368965518 /nfs/dbraw/zinc/96/55/18/368965518.db2.gz ZRACBRXZXQTDBQ-AWEZNQCLSA-N 1 2 278.308 2.122 20 5 CEBDLO C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccon1 ZINC000349238014 369274830 /nfs/dbraw/zinc/27/48/30/369274830.db2.gz JKYGZWANCJFSCQ-SSDOTTSWSA-N 1 2 253.283 2.495 20 5 CEBDLO C[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1cn[nH]c1 ZINC000358808482 371231144 /nfs/dbraw/zinc/23/11/44/371231144.db2.gz LNQMAMDSJWVJLS-QMMMGPOBSA-N 1 2 264.260 2.308 20 5 CEBDLO CCn1ncnc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000359072355 371327545 /nfs/dbraw/zinc/32/75/45/371327545.db2.gz RQAPGKAAMNJSDH-NSHDSACASA-N 1 2 289.339 2.365 20 5 CEBDLO [NH3+][C@@H]1CCCC[C@H]1CC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000261609023 371676598 /nfs/dbraw/zinc/67/65/98/371676598.db2.gz DNNRQIHPFCOXGQ-GXSJLCMTSA-N 1 2 293.323 2.147 20 5 CEBDLO Cc1nc(N2CCC(n3cc[nH+]c3)CC2)ccc1[N+](=O)[O-] ZINC000268530602 372127131 /nfs/dbraw/zinc/12/71/31/372127131.db2.gz WZNRZXAORXEXRA-UHFFFAOYSA-N 1 2 287.323 2.336 20 5 CEBDLO CN(C)c1ccc(Nc2ccc([N+](=O)[O-])nc2)c[nH+]1 ZINC000344426366 217190120 /nfs/dbraw/zinc/19/01/20/217190120.db2.gz XVQXLAFTXIFRLN-UHFFFAOYSA-N 1 2 259.269 2.194 20 5 CEBDLO CC(C)[NH+]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000269611131 372504172 /nfs/dbraw/zinc/50/41/72/372504172.db2.gz FDWDIPCCQKKGHS-UHFFFAOYSA-N 1 2 285.294 2.403 20 5 CEBDLO Cc1nc(N[C@@H]2CCN(c3cccc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000269880654 372586841 /nfs/dbraw/zinc/58/68/41/372586841.db2.gz RUSPMRATRMQFKJ-GFCCVEGCSA-N 1 2 299.334 2.384 20 5 CEBDLO O=[N+]([O-])c1cc(C[NH2+]Cc2ccc(F)cn2)cs1 ZINC000344892964 217348330 /nfs/dbraw/zinc/34/83/30/217348330.db2.gz WCBMSIUJFJRKRG-UHFFFAOYSA-N 1 2 267.285 2.480 20 5 CEBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC=C(F)C2)c1 ZINC000272562884 373553650 /nfs/dbraw/zinc/55/36/50/373553650.db2.gz UNQNGGMSEOFNJD-CYBMUJFWSA-N 1 2 266.272 2.187 20 5 CEBDLO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC=C(F)C2)c1 ZINC000272562884 373553654 /nfs/dbraw/zinc/55/36/54/373553654.db2.gz UNQNGGMSEOFNJD-CYBMUJFWSA-N 1 2 266.272 2.187 20 5 CEBDLO O=[N+]([O-])c1ccc(NCC2([NH+]3CCOCC3)CC2)c(F)c1 ZINC000277399704 374504659 /nfs/dbraw/zinc/50/46/59/374504659.db2.gz JTTCLMHMBPBMFV-UHFFFAOYSA-N 1 2 295.314 2.011 20 5 CEBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCCC[C@@H]2CO)c(F)c1 ZINC000286133317 375853454 /nfs/dbraw/zinc/85/34/54/375853454.db2.gz WOEVNFIGAYVMPC-SECBINFHSA-N 1 2 286.278 2.220 20 5 CEBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCCC[C@@H]2CO)c(F)c1 ZINC000286133317 375853456 /nfs/dbraw/zinc/85/34/56/375853456.db2.gz WOEVNFIGAYVMPC-SECBINFHSA-N 1 2 286.278 2.220 20 5 CEBDLO Cc1cccc(CCCNc2ncc([N+](=O)[O-])cn2)[nH+]1 ZINC000286533946 375984730 /nfs/dbraw/zinc/98/47/30/375984730.db2.gz IFXKAEJAWOJZFD-UHFFFAOYSA-N 1 2 273.296 2.133 20 5 CEBDLO Nc1ccc(CNc2c(F)cccc2[N+](=O)[O-])c[nH+]1 ZINC000308370443 376579668 /nfs/dbraw/zinc/57/96/68/376579668.db2.gz BUXWLUUFDOWHRP-UHFFFAOYSA-N 1 2 262.244 2.323 20 5 CEBDLO COc1cc(C[N@@H+]2CC[C@]23CCOC3)c([N+](=O)[O-])cc1F ZINC000421008435 376784488 /nfs/dbraw/zinc/78/44/88/376784488.db2.gz ATTVJVRYPMIUCR-CQSZACIVSA-N 1 2 296.298 2.107 20 5 CEBDLO COc1cc(C[N@H+]2CC[C@]23CCOC3)c([N+](=O)[O-])cc1F ZINC000421008435 376784493 /nfs/dbraw/zinc/78/44/93/376784493.db2.gz ATTVJVRYPMIUCR-CQSZACIVSA-N 1 2 296.298 2.107 20 5 CEBDLO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1c(F)cccc1F ZINC000293427340 377562159 /nfs/dbraw/zinc/56/21/59/377562159.db2.gz NNPNVMIGUQCIRH-UHFFFAOYSA-N 1 2 296.277 2.202 20 5 CEBDLO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1c(F)cccc1F ZINC000293427340 377562164 /nfs/dbraw/zinc/56/21/64/377562164.db2.gz NNPNVMIGUQCIRH-UHFFFAOYSA-N 1 2 296.277 2.202 20 5 CEBDLO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccon1 ZINC000265749759 190204154 /nfs/dbraw/zinc/20/41/54/190204154.db2.gz FCGBVLYZOAJGTN-UHFFFAOYSA-N 1 2 277.280 2.094 20 5 CEBDLO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccon1 ZINC000265749759 190204155 /nfs/dbraw/zinc/20/41/55/190204155.db2.gz FCGBVLYZOAJGTN-UHFFFAOYSA-N 1 2 277.280 2.094 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1NCCc1cn(C)c[nH+]1 ZINC000313481824 249396557 /nfs/dbraw/zinc/39/65/57/249396557.db2.gz IFSMAQYTJJMWOX-UHFFFAOYSA-N 1 2 260.297 2.291 20 5 CEBDLO Cn1c[nH+]c(CCNc2ccc([N+](=O)[O-])cc2F)c1 ZINC000313466857 249396860 /nfs/dbraw/zinc/39/68/60/249396860.db2.gz ASYMNZYGZMAPRR-UHFFFAOYSA-N 1 2 264.260 2.122 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000449689094 378219940 /nfs/dbraw/zinc/21/99/40/378219940.db2.gz XTYPPUQGYOKFJA-HNNXBMFYSA-N 1 2 292.335 2.303 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000449689094 378219945 /nfs/dbraw/zinc/21/99/45/378219945.db2.gz XTYPPUQGYOKFJA-HNNXBMFYSA-N 1 2 292.335 2.303 20 5 CEBDLO CC(C)[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1COC1 ZINC000451121521 378715158 /nfs/dbraw/zinc/71/51/58/378715158.db2.gz RUWTUGHFKFJASI-UHFFFAOYSA-N 1 2 290.323 2.080 20 5 CEBDLO CC(C)[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1COC1 ZINC000451121521 378715163 /nfs/dbraw/zinc/71/51/63/378715163.db2.gz RUWTUGHFKFJASI-UHFFFAOYSA-N 1 2 290.323 2.080 20 5 CEBDLO CC[N@@H+](CC(=O)OC)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000347325484 218191580 /nfs/dbraw/zinc/19/15/80/218191580.db2.gz VUNLZWWRMFOWFM-WQLSENKSSA-N 1 2 292.335 2.493 20 5 CEBDLO CC[N@H+](CC(=O)OC)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000347325484 218191583 /nfs/dbraw/zinc/19/15/83/218191583.db2.gz VUNLZWWRMFOWFM-WQLSENKSSA-N 1 2 292.335 2.493 20 5 CEBDLO COC(=O)C[N@H+](C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000347330725 218191703 /nfs/dbraw/zinc/19/17/03/218191703.db2.gz DQHOPOXHKIEPGI-XFFZJAGNSA-N 1 2 278.308 2.103 20 5 CEBDLO COC(=O)C[N@@H+](C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000347330725 218191705 /nfs/dbraw/zinc/19/17/05/218191705.db2.gz DQHOPOXHKIEPGI-XFFZJAGNSA-N 1 2 278.308 2.103 20 5 CEBDLO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000456348044 379398030 /nfs/dbraw/zinc/39/80/30/379398030.db2.gz KEAJTTJUEKYXMT-JTQLQIEISA-N 1 2 297.380 2.213 20 5 CEBDLO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000456348044 379398034 /nfs/dbraw/zinc/39/80/34/379398034.db2.gz KEAJTTJUEKYXMT-JTQLQIEISA-N 1 2 297.380 2.213 20 5 CEBDLO COC(=O)N1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000491950481 380397260 /nfs/dbraw/zinc/39/72/60/380397260.db2.gz ZHDMVDKFXQJRAQ-LLVKDONJSA-N 1 2 293.323 2.040 20 5 CEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1[C@H](C)C[C@@H]1C ZINC000547768713 380468212 /nfs/dbraw/zinc/46/82/12/380468212.db2.gz GMOYVGVMMDCUDS-OUAUKWLOSA-N 1 2 277.324 2.405 20 5 CEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1[C@H](C)C[C@@H]1C ZINC000547768713 380468219 /nfs/dbraw/zinc/46/82/19/380468219.db2.gz GMOYVGVMMDCUDS-OUAUKWLOSA-N 1 2 277.324 2.405 20 5 CEBDLO CCOc1cc(C[N@H+](C)Cc2cc[nH]n2)ccc1[N+](=O)[O-] ZINC000492605170 380622321 /nfs/dbraw/zinc/62/23/21/380622321.db2.gz GSTUJHUPFJSQHG-UHFFFAOYSA-N 1 2 290.323 2.349 20 5 CEBDLO CCOc1cc(C[N@@H+](C)Cc2cc[nH]n2)ccc1[N+](=O)[O-] ZINC000492605170 380622326 /nfs/dbraw/zinc/62/23/26/380622326.db2.gz GSTUJHUPFJSQHG-UHFFFAOYSA-N 1 2 290.323 2.349 20 5 CEBDLO CCn1c(C)nc([N+](=O)[O-])c1Nc1ccc(NC)[nH+]c1 ZINC000288230110 197032546 /nfs/dbraw/zinc/03/25/46/197032546.db2.gz WFPRMCISRMGSMB-UHFFFAOYSA-N 1 2 276.300 2.300 20 5 CEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NC[C@@H](O)C3CC3)c2c1 ZINC000413121025 394486440 /nfs/dbraw/zinc/48/64/40/394486440.db2.gz TWXKSUPMMIHIFE-CYBMUJFWSA-N 1 2 273.292 2.326 20 5 CEBDLO CC[C@]1(O)CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413228511 394508134 /nfs/dbraw/zinc/50/81/34/394508134.db2.gz BJTSRTBPVPVHKD-HNNXBMFYSA-N 1 2 287.319 2.494 20 5 CEBDLO Cc1cc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc[nH+]1 ZINC000078250735 394625197 /nfs/dbraw/zinc/62/51/97/394625197.db2.gz YXUAYUOIQIRXNH-UHFFFAOYSA-N 1 2 297.274 2.427 20 5 CEBDLO Cn1nccc1C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000130361752 394886646 /nfs/dbraw/zinc/88/66/46/394886646.db2.gz IMBSELQLKBJGMD-UHFFFAOYSA-N 1 2 286.335 2.493 20 5 CEBDLO Cn1nccc1C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000130361752 394886650 /nfs/dbraw/zinc/88/66/50/394886650.db2.gz IMBSELQLKBJGMD-UHFFFAOYSA-N 1 2 286.335 2.493 20 5 CEBDLO C[C@@H](CO)[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CCCC1 ZINC000339108621 394944275 /nfs/dbraw/zinc/94/42/75/394944275.db2.gz QXNBNNSIVFBCFQ-NSHDSACASA-N 1 2 294.351 2.426 20 5 CEBDLO C[C@]1(F)CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000347369797 395122026 /nfs/dbraw/zinc/12/20/26/395122026.db2.gz FIQWWAMPJVFXCQ-AWEZNQCLSA-N 1 2 296.298 2.395 20 5 CEBDLO C[C@]1(F)CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000347369797 395122028 /nfs/dbraw/zinc/12/20/28/395122028.db2.gz FIQWWAMPJVFXCQ-AWEZNQCLSA-N 1 2 296.298 2.395 20 5 CEBDLO CCn1nccc1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000179315814 395190492 /nfs/dbraw/zinc/19/04/92/395190492.db2.gz NMSLCBREHACRST-UHFFFAOYSA-N 1 2 274.324 2.443 20 5 CEBDLO CCn1nccc1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000179315814 395190497 /nfs/dbraw/zinc/19/04/97/395190497.db2.gz NMSLCBREHACRST-UHFFFAOYSA-N 1 2 274.324 2.443 20 5 CEBDLO O=[N+]([O-])c1ccccc1CN(Cc1c[nH+]c[nH]1)C1CC1 ZINC000179318540 395190947 /nfs/dbraw/zinc/19/09/47/395190947.db2.gz PQEVEEPZNCZOLG-UHFFFAOYSA-N 1 2 272.308 2.483 20 5 CEBDLO CCC[C@@]1(C)C(=O)NCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000187294405 395298782 /nfs/dbraw/zinc/29/87/82/395298782.db2.gz DXVOMFZLUHTJKD-HNNXBMFYSA-N 1 2 291.351 2.085 20 5 CEBDLO CCC[C@@]1(C)C(=O)NCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000187294405 395298789 /nfs/dbraw/zinc/29/87/89/395298789.db2.gz DXVOMFZLUHTJKD-HNNXBMFYSA-N 1 2 291.351 2.085 20 5 CEBDLO O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccn2cc[nH+]c2c1 ZINC000355291974 395400136 /nfs/dbraw/zinc/40/01/36/395400136.db2.gz QCJVICUJFUAECI-UHFFFAOYSA-N 1 2 296.286 2.424 20 5 CEBDLO Cn1ccnc1C[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000355314768 395407320 /nfs/dbraw/zinc/40/73/20/395407320.db2.gz LKXNNLGMKBYXKZ-ALCCZGGFSA-N 1 2 286.335 2.474 20 5 CEBDLO Cn1ccnc1C[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000355314768 395407323 /nfs/dbraw/zinc/40/73/23/395407323.db2.gz LKXNNLGMKBYXKZ-ALCCZGGFSA-N 1 2 286.335 2.474 20 5 CEBDLO CN(C/C=C\c1ccccc1[N+](=O)[O-])Cc1[nH+]ccn1C ZINC000355314768 395407325 /nfs/dbraw/zinc/40/73/25/395407325.db2.gz LKXNNLGMKBYXKZ-ALCCZGGFSA-N 1 2 286.335 2.474 20 5 CEBDLO CC1(C)C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CC[C@@H]1O ZINC000446075106 395483073 /nfs/dbraw/zinc/48/30/73/395483073.db2.gz VXKOOVCJHRWOPA-ZDUSSCGKSA-N 1 2 282.315 2.327 20 5 CEBDLO CC1(C)C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC[C@@H]1O ZINC000446075106 395483074 /nfs/dbraw/zinc/48/30/74/395483074.db2.gz VXKOOVCJHRWOPA-ZDUSSCGKSA-N 1 2 282.315 2.327 20 5 CEBDLO CC[N@H+](Cc1cccc([N+](=O)[O-])c1C)C1COC1 ZINC000451283722 395602852 /nfs/dbraw/zinc/60/28/52/395602852.db2.gz ILHVLXOWICVCGR-UHFFFAOYSA-N 1 2 250.298 2.124 20 5 CEBDLO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)C1COC1 ZINC000451283722 395602854 /nfs/dbraw/zinc/60/28/54/395602854.db2.gz ILHVLXOWICVCGR-UHFFFAOYSA-N 1 2 250.298 2.124 20 5 CEBDLO O=[N+]([O-])c1ccc(NCc2cccc(-n3cc[nH+]c3)c2)nc1 ZINC000360354517 155280757 /nfs/dbraw/zinc/28/07/57/155280757.db2.gz PAICCZTUTJCNSG-UHFFFAOYSA-N 1 2 295.302 2.210 20 5 CEBDLO COc1cc(C[N@@H+]2CCOCC23CCC3)ccc1[N+](=O)[O-] ZINC000352779051 154336178 /nfs/dbraw/zinc/33/61/78/154336178.db2.gz NEEWYWSWPLVLFN-UHFFFAOYSA-N 1 2 292.335 2.358 20 5 CEBDLO COc1cc(C[N@H+]2CCOCC23CCC3)ccc1[N+](=O)[O-] ZINC000352779051 154336183 /nfs/dbraw/zinc/33/61/83/154336183.db2.gz NEEWYWSWPLVLFN-UHFFFAOYSA-N 1 2 292.335 2.358 20 5 CEBDLO O=[N+]([O-])c1ccc(N[C@@H]2CCCN(c3cccc[nH+]3)C2)nc1 ZINC000362390531 155828172 /nfs/dbraw/zinc/82/81/72/155828172.db2.gz DNWBUABGAIUIOD-GFCCVEGCSA-N 1 2 299.334 2.466 20 5 CEBDLO COc1ccc(C[N@@H+]2CCO[C@@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000375343742 157084573 /nfs/dbraw/zinc/08/45/73/157084573.db2.gz ZGPROVADLMYPQD-OAHLLOKOSA-N 1 2 292.335 2.214 20 5 CEBDLO COc1ccc(C[N@H+]2CCO[C@@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000375343742 157084580 /nfs/dbraw/zinc/08/45/80/157084580.db2.gz ZGPROVADLMYPQD-OAHLLOKOSA-N 1 2 292.335 2.214 20 5 CEBDLO Cc1nn(Cc2ccc(-n3cc[nH+]c3)nc2)c(C)c1[N+](=O)[O-] ZINC000175211851 165130721 /nfs/dbraw/zinc/13/07/21/165130721.db2.gz VOAZNCIOTCHFRZ-UHFFFAOYSA-N 1 2 298.306 2.037 20 5 CEBDLO CCOC(=O)[C@@H](CC)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285239149 196229916 /nfs/dbraw/zinc/22/99/16/196229916.db2.gz GMVLZDQIZOSJNY-CYBMUJFWSA-N 1 2 294.351 2.411 20 5 CEBDLO CCOC(=O)[C@@H](CC)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285239149 196229918 /nfs/dbraw/zinc/22/99/18/196229918.db2.gz GMVLZDQIZOSJNY-CYBMUJFWSA-N 1 2 294.351 2.411 20 5 CEBDLO Cc1noc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000038034313 174032841 /nfs/dbraw/zinc/03/28/41/174032841.db2.gz ZZXCUNBVLSPGEB-QMMMGPOBSA-N 1 2 262.269 2.137 20 5 CEBDLO COC(=O)C1(C)C[NH+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000425371560 264202298 /nfs/dbraw/zinc/20/22/98/264202298.db2.gz HDPQKQSRUTUTLW-FNORWQNLSA-N 1 2 290.319 2.103 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCc2nn[nH]c2C1 ZINC000429303510 271322599 /nfs/dbraw/zinc/32/25/99/271322599.db2.gz WMDNMPDNNLJYQQ-SNVBAGLBSA-N 1 2 287.323 2.141 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCc2nn[nH]c2C1 ZINC000429303510 271322602 /nfs/dbraw/zinc/32/26/02/271322602.db2.gz WMDNMPDNNLJYQQ-SNVBAGLBSA-N 1 2 287.323 2.141 20 5 CEBDLO CC(C)NC(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135224875 280039679 /nfs/dbraw/zinc/03/96/79/280039679.db2.gz LLYFBYNHDYXRIE-UHFFFAOYSA-N 1 2 291.351 2.084 20 5 CEBDLO CC(C)NC(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135224875 280039682 /nfs/dbraw/zinc/03/96/82/280039682.db2.gz LLYFBYNHDYXRIE-UHFFFAOYSA-N 1 2 291.351 2.084 20 5 CEBDLO CC[C@H](C)[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000183669958 280792807 /nfs/dbraw/zinc/79/28/07/280792807.db2.gz DKNWQXIRMNDDGD-FZMZJTMJSA-N 1 2 294.351 2.315 20 5 CEBDLO COCC1(C)C[NH+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000459626130 290199121 /nfs/dbraw/zinc/19/91/21/290199121.db2.gz YWABGGSVZPBLDR-UHFFFAOYSA-N 1 2 268.288 2.202 20 5 CEBDLO Cc1ccc(C[N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000355540562 500661822 /nfs/dbraw/zinc/66/18/22/500661822.db2.gz GMMWFFVAAVJJFU-UHFFFAOYSA-N 1 2 274.324 2.269 20 5 CEBDLO Cc1ccc(C[N@H+](C)Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000355540562 500661824 /nfs/dbraw/zinc/66/18/24/500661824.db2.gz GMMWFFVAAVJJFU-UHFFFAOYSA-N 1 2 274.324 2.269 20 5 CEBDLO COC(=O)C[N@H+](C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182615375 523151166 /nfs/dbraw/zinc/15/11/66/523151166.db2.gz IIUKQKGUXYWYGK-SNVBAGLBSA-N 1 2 266.297 2.069 20 5 CEBDLO COC(=O)C[N@@H+](C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182615375 523151174 /nfs/dbraw/zinc/15/11/74/523151174.db2.gz IIUKQKGUXYWYGK-SNVBAGLBSA-N 1 2 266.297 2.069 20 5 CEBDLO COc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000051114792 524042085 /nfs/dbraw/zinc/04/20/85/524042085.db2.gz KKTLDQZEMVYCBN-QWRGUYRKSA-N 1 2 280.324 2.213 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000934566065 624591101 /nfs/dbraw/zinc/59/11/01/624591101.db2.gz DPCCXNXIJJDSNV-ZLKJLUDKSA-N 1 2 282.315 2.369 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000934566065 624591109 /nfs/dbraw/zinc/59/11/09/624591109.db2.gz DPCCXNXIJJDSNV-ZLKJLUDKSA-N 1 2 282.315 2.369 20 5 CEBDLO CC(=O)c1cc([N+](=O)[O-])ccc1NCCc1cn(C)c[nH+]1 ZINC000840326264 632895750 /nfs/dbraw/zinc/89/57/50/632895750.db2.gz BWTQCVSZVLZELN-UHFFFAOYSA-N 1 2 288.307 2.186 20 5 CEBDLO Cc1nn(C[NH+]2CCC(OC3CCC3)CC2)cc1[N+](=O)[O-] ZINC000841687160 639836861 /nfs/dbraw/zinc/83/68/61/639836861.db2.gz YQCIQKWSINXFDB-UHFFFAOYSA-N 1 2 294.355 2.091 20 5 CEBDLO Cc1nn(C[N@@H+]2CCSC(C)(C)C2)c(C)c1[N+](=O)[O-] ZINC000175258900 641317829 /nfs/dbraw/zinc/31/78/29/641317829.db2.gz SKSZTQXYQCSORN-UHFFFAOYSA-N 1 2 284.385 2.193 20 5 CEBDLO Cc1nn(C[N@H+]2CCSC(C)(C)C2)c(C)c1[N+](=O)[O-] ZINC000175258900 641317833 /nfs/dbraw/zinc/31/78/33/641317833.db2.gz SKSZTQXYQCSORN-UHFFFAOYSA-N 1 2 284.385 2.193 20 5 CEBDLO Cc1c(C(=O)O[C@@H]2CC[N@H+](CCF)C2)cccc1[N+](=O)[O-] ZINC000788079437 642499197 /nfs/dbraw/zinc/49/91/97/642499197.db2.gz CFONMFURXBOHOR-LLVKDONJSA-N 1 2 296.298 2.104 20 5 CEBDLO Cc1c(C(=O)O[C@@H]2CC[N@@H+](CCF)C2)cccc1[N+](=O)[O-] ZINC000788079437 642499201 /nfs/dbraw/zinc/49/92/01/642499201.db2.gz CFONMFURXBOHOR-LLVKDONJSA-N 1 2 296.298 2.104 20 5 CEBDLO Cc1nonc1C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000809744310 645107566 /nfs/dbraw/zinc/10/75/66/645107566.db2.gz FNAWJBXOJMCECC-XQRVVYSFSA-N 1 2 274.280 2.089 20 5 CEBDLO Cc1cc(C(=O)OCCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000763287430 645528547 /nfs/dbraw/zinc/52/85/47/645528547.db2.gz NEUYWVMVRWUUQA-UHFFFAOYSA-N 1 2 289.291 2.347 20 5 CEBDLO C[C@@H](C(=O)OCc1c[nH+]cn1C)c1cccc([N+](=O)[O-])c1 ZINC000764017279 645602193 /nfs/dbraw/zinc/60/21/93/645602193.db2.gz ZCMOVGGMJYVPNC-SNVBAGLBSA-N 1 2 289.291 2.175 20 5 CEBDLO Cc1nn(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000766122401 645850952 /nfs/dbraw/zinc/85/09/52/645850952.db2.gz XCHCPRWSGJTDJI-SECBINFHSA-N 1 2 292.261 2.332 20 5 CEBDLO Cc1nn(C[N@H+]2CC[C@H](CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000766122401 645850960 /nfs/dbraw/zinc/85/09/60/645850960.db2.gz XCHCPRWSGJTDJI-SECBINFHSA-N 1 2 292.261 2.332 20 5 CEBDLO CCC1CC[NH+](Cn2cc([N+](=O)[O-])c(C)n2)CC1 ZINC000779860289 647366609 /nfs/dbraw/zinc/36/66/09/647366609.db2.gz WEPSHHPFKJQWKK-UHFFFAOYSA-N 1 2 252.318 2.179 20 5 CEBDLO Cc1ccnc(N[C@@H]2CCC[N@H+](CCF)C2)c1[N+](=O)[O-] ZINC000865928171 647540119 /nfs/dbraw/zinc/54/01/19/647540119.db2.gz SFBWJWIWSGWBDT-LLVKDONJSA-N 1 2 282.319 2.144 20 5 CEBDLO Cc1ccnc(N[C@@H]2CCC[N@@H+](CCF)C2)c1[N+](=O)[O-] ZINC000865928171 647540121 /nfs/dbraw/zinc/54/01/21/647540121.db2.gz SFBWJWIWSGWBDT-LLVKDONJSA-N 1 2 282.319 2.144 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)OCCCn1cc[nH+]c1 ZINC000783355204 647709763 /nfs/dbraw/zinc/70/97/63/647709763.db2.gz HWUPONOCYHIVQA-UHFFFAOYSA-N 1 2 289.291 2.347 20 5 CEBDLO Cc1cc(C(=O)OCCc2c[nH+]cn2C)ccc1[N+](=O)[O-] ZINC000789775217 648340397 /nfs/dbraw/zinc/34/03/97/648340397.db2.gz AWWUQWUABULPDK-UHFFFAOYSA-N 1 2 289.291 2.036 20 5 CEBDLO O=[N+]([O-])CC[N@@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000791051567 648476345 /nfs/dbraw/zinc/47/63/45/648476345.db2.gz FFBHYYIYRFTSNR-AWEZNQCLSA-N 1 2 282.315 2.083 20 5 CEBDLO O=[N+]([O-])CC[N@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000791051567 648476346 /nfs/dbraw/zinc/47/63/46/648476346.db2.gz FFBHYYIYRFTSNR-AWEZNQCLSA-N 1 2 282.315 2.083 20 5 CEBDLO Nc1cc(COC(=O)c2ccc([N+](=O)[O-])c(F)c2)cc[nH+]1 ZINC000791835364 648573310 /nfs/dbraw/zinc/57/33/10/648573310.db2.gz CDJOMJHCTKADOI-UHFFFAOYSA-N 1 2 291.238 2.068 20 5 CEBDLO CCn1nncc1C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872088438 649269761 /nfs/dbraw/zinc/26/97/61/649269761.db2.gz RCSUVYJWUMDOPU-SECBINFHSA-N 1 2 293.302 2.196 20 5 CEBDLO CC[C@H]1COCC[N@@H+]1CCNc1cccc(F)c1[N+](=O)[O-] ZINC000872771384 649481440 /nfs/dbraw/zinc/48/14/40/649481440.db2.gz HUZQGWHRHMELHI-NSHDSACASA-N 1 2 297.330 2.257 20 5 CEBDLO CC[C@H]1COCC[N@H+]1CCNc1cccc(F)c1[N+](=O)[O-] ZINC000872771384 649481442 /nfs/dbraw/zinc/48/14/42/649481442.db2.gz HUZQGWHRHMELHI-NSHDSACASA-N 1 2 297.330 2.257 20 5 CEBDLO O=[N+]([O-])c1c(F)nccc1NCCCCn1cc[nH+]c1 ZINC000882160465 651985301 /nfs/dbraw/zinc/98/53/01/651985301.db2.gz PVMONGJRJVKFAO-UHFFFAOYSA-N 1 2 279.275 2.218 20 5 CEBDLO C[NH+](C)Cc1csc(CNc2ncccc2[N+](=O)[O-])n1 ZINC000722390020 804413544 /nfs/dbraw/zinc/41/35/44/804413544.db2.gz GGGCWBSZDFXXOQ-UHFFFAOYSA-N 1 2 293.352 2.120 20 5 CEBDLO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2nncn2C)cc1[N+](=O)[O-] ZINC000037016399 361882654 /nfs/dbraw/zinc/88/26/54/361882654.db2.gz DWZRQPNBXJRQPY-GHMZBOCLSA-N 1 2 289.339 2.444 20 5 CEBDLO O=[N+]([O-])c1c(NCCn2cc[nH+]c2)ccc2ncccc21 ZINC000041119992 362019734 /nfs/dbraw/zinc/01/97/34/362019734.db2.gz SVXYNTUUEXUOHU-UHFFFAOYSA-N 1 2 283.291 2.452 20 5 CEBDLO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000045752005 343487524 /nfs/dbraw/zinc/48/75/24/343487524.db2.gz ATTUJLIDPLSHMI-ZDUSSCGKSA-N 1 2 250.298 2.206 20 5 CEBDLO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000045752005 343487527 /nfs/dbraw/zinc/48/75/27/343487527.db2.gz ATTUJLIDPLSHMI-ZDUSSCGKSA-N 1 2 250.298 2.206 20 5 CEBDLO CCC(=O)N1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000077390548 343919060 /nfs/dbraw/zinc/91/90/60/343919060.db2.gz XWTGGPDFRIPIGV-UHFFFAOYSA-N 1 2 297.380 2.101 20 5 CEBDLO CCC(=O)N1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000077390548 343919062 /nfs/dbraw/zinc/91/90/62/343919062.db2.gz XWTGGPDFRIPIGV-UHFFFAOYSA-N 1 2 297.380 2.101 20 5 CEBDLO Cn1cc(C[N@@H+]2CCC[C@H]2c2ccccn2)c([N+](=O)[O-])n1 ZINC000602442321 347034625 /nfs/dbraw/zinc/03/46/25/347034625.db2.gz LTWLJGDPNZYKBJ-ZDUSSCGKSA-N 1 2 287.323 2.060 20 5 CEBDLO Cn1cc(C[N@H+]2CCC[C@H]2c2ccccn2)c([N+](=O)[O-])n1 ZINC000602442321 347034628 /nfs/dbraw/zinc/03/46/28/347034628.db2.gz LTWLJGDPNZYKBJ-ZDUSSCGKSA-N 1 2 287.323 2.060 20 5 CEBDLO O=[N+]([O-])c1cccc2c1CC[N@@H+](Cc1ccc(CO)o1)C2 ZINC000093443745 344223736 /nfs/dbraw/zinc/22/37/36/344223736.db2.gz IZWPYXJZQZUCGK-UHFFFAOYSA-N 1 2 288.303 2.238 20 5 CEBDLO O=[N+]([O-])c1cccc2c1CC[N@H+](Cc1ccc(CO)o1)C2 ZINC000093443745 344223739 /nfs/dbraw/zinc/22/37/39/344223739.db2.gz IZWPYXJZQZUCGK-UHFFFAOYSA-N 1 2 288.303 2.238 20 5 CEBDLO C[N@@H+](Cc1csc([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000056494976 362561272 /nfs/dbraw/zinc/56/12/72/362561272.db2.gz UKLBDMWPMSHNPO-JTQLQIEISA-N 1 2 256.327 2.267 20 5 CEBDLO C[N@H+](Cc1csc([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000056494976 362561274 /nfs/dbraw/zinc/56/12/74/362561274.db2.gz UKLBDMWPMSHNPO-JTQLQIEISA-N 1 2 256.327 2.267 20 5 CEBDLO C[C@@H]1C[C@@H](Nc2cccnc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000590723734 345168498 /nfs/dbraw/zinc/16/84/98/345168498.db2.gz TUOYYZZAYMGSDE-PSASIEDQSA-N 1 2 259.269 2.304 20 5 CEBDLO O=C(C[NH+]1CCCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000007786200 232173466 /nfs/dbraw/zinc/17/34/66/232173466.db2.gz VWQOFCOSASCRRH-UHFFFAOYSA-N 1 2 283.715 2.283 20 5 CEBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc[nH+]cc1 ZINC000105565113 232193986 /nfs/dbraw/zinc/19/39/86/232193986.db2.gz FWXRWBYQTHWYBM-UHFFFAOYSA-N 1 2 293.304 2.099 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1C[C@@H](C)n2ncnc21 ZINC000594957491 345716645 /nfs/dbraw/zinc/71/66/45/345716645.db2.gz PZNFTQMTPONNAP-MFKMUULPSA-N 1 2 287.323 2.290 20 5 CEBDLO CN(Cc1[nH]cc[nH+]1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595399055 345774767 /nfs/dbraw/zinc/77/47/67/345774767.db2.gz YXCFOWMFWQYOOQ-UHFFFAOYSA-N 1 2 264.260 2.089 20 5 CEBDLO Cc1noc(C[N@@H+]2CCOCC23CCCCC3)c1[N+](=O)[O-] ZINC000595521760 345803377 /nfs/dbraw/zinc/80/33/77/345803377.db2.gz VUXLUOCAQKSZOB-UHFFFAOYSA-N 1 2 295.339 2.426 20 5 CEBDLO Cc1noc(C[N@H+]2CCOCC23CCCCC3)c1[N+](=O)[O-] ZINC000595521760 345803380 /nfs/dbraw/zinc/80/33/80/345803380.db2.gz VUXLUOCAQKSZOB-UHFFFAOYSA-N 1 2 295.339 2.426 20 5 CEBDLO COC(=O)[C@](C)(CCF)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000595769148 345872007 /nfs/dbraw/zinc/87/20/07/345872007.db2.gz KJVMWHKQSHYXQO-AWEZNQCLSA-N 1 2 298.314 2.018 20 5 CEBDLO Cc1cc(N[C@H](C)[C@H](C)[NH+]2CCOCC2)c([N+](=O)[O-])s1 ZINC000596113943 345942583 /nfs/dbraw/zinc/94/25/83/345942583.db2.gz FPLGLFBITAEEBA-MNOVXSKESA-N 1 2 299.396 2.486 20 5 CEBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1ccc([N+](=O)[O-])s1 ZINC000596434928 346023380 /nfs/dbraw/zinc/02/33/80/346023380.db2.gz ZDVKZXGDKHILGB-ZJUUUORDSA-N 1 2 285.369 2.177 20 5 CEBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1ccc([N+](=O)[O-])s1 ZINC000596434928 346023381 /nfs/dbraw/zinc/02/33/81/346023381.db2.gz ZDVKZXGDKHILGB-ZJUUUORDSA-N 1 2 285.369 2.177 20 5 CEBDLO CC1(C)OCC[C@@H]1C[NH+]=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000596542373 346050522 /nfs/dbraw/zinc/05/05/22/346050522.db2.gz HGURVWOCYPQDMZ-SECBINFHSA-N 1 2 290.323 2.120 20 5 CEBDLO C[C@H](CCO)Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599045339 346451642 /nfs/dbraw/zinc/45/16/42/346451642.db2.gz ACIVOBDVBRLWBS-SECBINFHSA-N 1 2 261.281 2.326 20 5 CEBDLO CC[C@H](CO)Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599066492 346454692 /nfs/dbraw/zinc/45/46/92/346454692.db2.gz QDSPOVUACAISJD-SNVBAGLBSA-N 1 2 261.281 2.326 20 5 CEBDLO C[C@H](C[S@](C)=O)Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599066654 346455132 /nfs/dbraw/zinc/45/51/32/346455132.db2.gz URVLHJMBTWXLHT-YBYGRFCBSA-N 1 2 293.348 2.322 20 5 CEBDLO CCOC[C@@H]1C[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000599618840 346547071 /nfs/dbraw/zinc/54/70/71/346547071.db2.gz NPRRLASBRPOJNG-WFASDCNBSA-N 1 2 294.351 2.393 20 5 CEBDLO CCOC[C@@H]1C[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000599618840 346547074 /nfs/dbraw/zinc/54/70/74/346547074.db2.gz NPRRLASBRPOJNG-WFASDCNBSA-N 1 2 294.351 2.393 20 5 CEBDLO CC(C)OC(=O)[C@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000129542381 365870757 /nfs/dbraw/zinc/87/07/57/365870757.db2.gz PHBZFJHOVIPXAG-NSHDSACASA-N 1 2 280.324 2.367 20 5 CEBDLO CC(C)OC(=O)[C@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000129542381 365870762 /nfs/dbraw/zinc/87/07/62/365870762.db2.gz PHBZFJHOVIPXAG-NSHDSACASA-N 1 2 280.324 2.367 20 5 CEBDLO CC[C@@H](c1ccncc1)[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602796141 347202066 /nfs/dbraw/zinc/20/20/66/347202066.db2.gz DDZUQYYUUAEMNN-ZDUSSCGKSA-N 1 2 289.339 2.306 20 5 CEBDLO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602796141 347202071 /nfs/dbraw/zinc/20/20/71/347202071.db2.gz DDZUQYYUUAEMNN-ZDUSSCGKSA-N 1 2 289.339 2.306 20 5 CEBDLO COC[C@@H]1CC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000339285364 215066508 /nfs/dbraw/zinc/06/65/08/215066508.db2.gz SWRLLRYIGZUMCJ-VIFPVBQESA-N 1 2 270.716 2.469 20 5 CEBDLO COC[C@@H]1CC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000339285364 215066510 /nfs/dbraw/zinc/06/65/10/215066510.db2.gz SWRLLRYIGZUMCJ-VIFPVBQESA-N 1 2 270.716 2.469 20 5 CEBDLO O=C(C[N@@H+]1CCC12CCC2)Nc1ccccc1[N+](=O)[O-] ZINC000610433309 347681428 /nfs/dbraw/zinc/68/14/28/347681428.db2.gz ZJIBCHPTXFPZSM-UHFFFAOYSA-N 1 2 275.308 2.162 20 5 CEBDLO O=C(C[N@H+]1CCC12CCC2)Nc1ccccc1[N+](=O)[O-] ZINC000610433309 347681430 /nfs/dbraw/zinc/68/14/30/347681430.db2.gz ZJIBCHPTXFPZSM-UHFFFAOYSA-N 1 2 275.308 2.162 20 5 CEBDLO Cc1cnc(N2CCC[C@@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000610284046 347669614 /nfs/dbraw/zinc/66/96/14/347669614.db2.gz HYSHIWNONJXBGO-GFCCVEGCSA-N 1 2 287.323 2.336 20 5 CEBDLO O=[N+]([O-])c1ccc(C[NH+]2CC3(C2)CCCOC3)c(F)c1 ZINC000459609755 290193885 /nfs/dbraw/zinc/19/38/85/290193885.db2.gz ROPWGJNWADLZPH-UHFFFAOYSA-N 1 2 280.299 2.346 20 5 CEBDLO Cc1cccc(CCNc2cccnc2[N+](=O)[O-])[nH+]1 ZINC000619499611 349188713 /nfs/dbraw/zinc/18/87/13/349188713.db2.gz ZEIHFEPWEJQGDE-UHFFFAOYSA-N 1 2 258.281 2.348 20 5 CEBDLO Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N)cc[nH+]1 ZINC000092366213 180369119 /nfs/dbraw/zinc/36/91/19/180369119.db2.gz CDNDMIJLNZWHNJ-UHFFFAOYSA-N 1 2 272.264 2.133 20 5 CEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N[C@H]3C[C@@H](O)C3)c2c1 ZINC000413314920 233559647 /nfs/dbraw/zinc/55/96/47/233559647.db2.gz JJCSCOUVWYWMPG-JGZJWPJOSA-N 1 2 259.265 2.078 20 5 CEBDLO Cc1nnc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1C ZINC000132749257 366168369 /nfs/dbraw/zinc/16/83/69/366168369.db2.gz IPLWSGGNHOHZMS-JTQLQIEISA-N 1 2 289.339 2.191 20 5 CEBDLO COC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451549085 283030636 /nfs/dbraw/zinc/03/06/36/283030636.db2.gz OWSJRLQKVPRHSO-DGCLKSJQSA-N 1 2 292.335 2.336 20 5 CEBDLO COC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451549085 283030638 /nfs/dbraw/zinc/03/06/38/283030638.db2.gz OWSJRLQKVPRHSO-DGCLKSJQSA-N 1 2 292.335 2.336 20 5 CEBDLO Cc1cc(N2CCN(c3cccc[nH+]3)CC2)ncc1[N+](=O)[O-] ZINC000074725073 363377087 /nfs/dbraw/zinc/37/70/87/363377087.db2.gz MAPSLPOQOJKBDT-UHFFFAOYSA-N 1 2 299.334 2.020 20 5 CEBDLO Cc1nnc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)s1 ZINC000338381954 366331355 /nfs/dbraw/zinc/33/13/55/366331355.db2.gz TVDUEBTXZYRJDW-UHFFFAOYSA-N 1 2 292.364 2.429 20 5 CEBDLO Cc1nnc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)s1 ZINC000338381954 366331359 /nfs/dbraw/zinc/33/13/59/366331359.db2.gz TVDUEBTXZYRJDW-UHFFFAOYSA-N 1 2 292.364 2.429 20 5 CEBDLO Cn1cc(C[NH2+]CC(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000298216905 200363079 /nfs/dbraw/zinc/36/30/79/200363079.db2.gz ZSYNBHHAHJQGPW-UHFFFAOYSA-N 1 2 296.277 2.350 20 5 CEBDLO O=[N+]([O-])c1ccsc1NCCCn1cc[nH+]c1 ZINC000301975837 201285299 /nfs/dbraw/zinc/28/52/99/201285299.db2.gz CABRVDHMJULLDL-UHFFFAOYSA-N 1 2 252.299 2.355 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCOC(C)(C)C1 ZINC000030195730 361695644 /nfs/dbraw/zinc/69/56/44/361695644.db2.gz OBVYRPIPTBNJNL-UHFFFAOYSA-N 1 2 280.324 2.214 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCOC(C)(C)C1 ZINC000030195730 361695651 /nfs/dbraw/zinc/69/56/51/361695651.db2.gz OBVYRPIPTBNJNL-UHFFFAOYSA-N 1 2 280.324 2.214 20 5 CEBDLO Cn1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000340287990 366836270 /nfs/dbraw/zinc/83/62/70/366836270.db2.gz AJCBSDLNDJLVIU-UHFFFAOYSA-N 1 2 286.335 2.493 20 5 CEBDLO Cn1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000340287990 366836275 /nfs/dbraw/zinc/83/62/75/366836275.db2.gz AJCBSDLNDJLVIU-UHFFFAOYSA-N 1 2 286.335 2.493 20 5 CEBDLO CC[C@H]1COCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000115573684 365014856 /nfs/dbraw/zinc/01/48/56/365014856.db2.gz SLYPWHZUQQOTNT-LBPRGKRZSA-N 1 2 250.298 2.206 20 5 CEBDLO CC[C@H]1COCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000115573684 365014859 /nfs/dbraw/zinc/01/48/59/365014859.db2.gz SLYPWHZUQQOTNT-LBPRGKRZSA-N 1 2 250.298 2.206 20 5 CEBDLO Cc1c([C@H](C)[NH2+][C@@H](C)c2ncn(C)n2)cccc1[N+](=O)[O-] ZINC000275738794 193117077 /nfs/dbraw/zinc/11/70/77/193117077.db2.gz QDDXHPSPXUEWNY-QWRGUYRKSA-N 1 2 289.339 2.444 20 5 CEBDLO C[C@@H](Nc1ccc([N+](=O)[O-])s1)[C@@H](C)[NH+]1CCOCC1 ZINC000609192975 367223389 /nfs/dbraw/zinc/22/33/89/367223389.db2.gz UUBMTNNXGPERAX-NXEZZACHSA-N 1 2 285.369 2.177 20 5 CEBDLO CC1(C)C[N@H+](CCNc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000170640425 367389586 /nfs/dbraw/zinc/38/95/86/367389586.db2.gz LYXJVUIEHKFUSI-UHFFFAOYSA-N 1 2 297.330 2.257 20 5 CEBDLO CC1(C)C[N@@H+](CCNc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000170640425 367389592 /nfs/dbraw/zinc/38/95/92/367389592.db2.gz LYXJVUIEHKFUSI-UHFFFAOYSA-N 1 2 297.330 2.257 20 5 CEBDLO Cn1cc[nH+]c1[C@H](Nc1ncccc1[N+](=O)[O-])C1CC1 ZINC000343275285 367739095 /nfs/dbraw/zinc/73/90/95/367739095.db2.gz SUWOKZDICYZOAE-LLVKDONJSA-N 1 2 273.296 2.287 20 5 CEBDLO COc1cc(C[NH2+][C@H](C)c2nc(C)no2)ccc1[N+](=O)[O-] ZINC000348119433 368906945 /nfs/dbraw/zinc/90/69/45/368906945.db2.gz ZJHKPUKMSGRMHJ-MRVPVSSYSA-N 1 2 292.295 2.146 20 5 CEBDLO CCc1nc([C@H](C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)cs1 ZINC000348323723 369003526 /nfs/dbraw/zinc/00/35/26/369003526.db2.gz YEBCPTMTIVOFJX-QMMMGPOBSA-N 1 2 295.368 2.198 20 5 CEBDLO O=[N+]([O-])c1cnc(N[C@@H]2CCN(c3cccc[nH+]3)C2)s1 ZINC000192508180 369821408 /nfs/dbraw/zinc/82/14/08/369821408.db2.gz SBJXFBPWIGYPNZ-SECBINFHSA-N 1 2 291.336 2.137 20 5 CEBDLO O=[N+]([O-])c1cccnc1N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000207075587 370157262 /nfs/dbraw/zinc/15/72/62/370157262.db2.gz UNHQBVFYQPODOY-UHFFFAOYSA-N 1 2 273.296 2.097 20 5 CEBDLO O=[N+]([O-])c1cccnc1N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000207075587 370157269 /nfs/dbraw/zinc/15/72/69/370157269.db2.gz UNHQBVFYQPODOY-UHFFFAOYSA-N 1 2 273.296 2.097 20 5 CEBDLO COC(=O)[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H]1C ZINC000249138810 371301069 /nfs/dbraw/zinc/30/10/69/371301069.db2.gz VUVLDGYYZNBISE-GXSJLCMTSA-N 1 2 298.364 2.287 20 5 CEBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H]1C ZINC000249138810 371301073 /nfs/dbraw/zinc/30/10/73/371301073.db2.gz VUVLDGYYZNBISE-GXSJLCMTSA-N 1 2 298.364 2.287 20 5 CEBDLO Nc1ncc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)s1 ZINC000261975175 371788534 /nfs/dbraw/zinc/78/85/34/371788534.db2.gz IQIYBOUCYWMHLM-UHFFFAOYSA-N 1 2 290.348 2.192 20 5 CEBDLO Nc1ncc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)s1 ZINC000261975175 371788536 /nfs/dbraw/zinc/78/85/36/371788536.db2.gz IQIYBOUCYWMHLM-UHFFFAOYSA-N 1 2 290.348 2.192 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)c1nncn1C ZINC000268944647 372297661 /nfs/dbraw/zinc/29/76/61/372297661.db2.gz WEQDQKOAWXQOQE-WDEREUQCSA-N 1 2 289.339 2.444 20 5 CEBDLO C[N@@H+](Cc1nccs1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269663495 372525177 /nfs/dbraw/zinc/52/51/77/372525177.db2.gz RCKBSSXVHFJOKK-GFCCVEGCSA-N 1 2 293.348 2.217 20 5 CEBDLO C[N@H+](Cc1nccs1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269663495 372525182 /nfs/dbraw/zinc/52/51/82/372525182.db2.gz RCKBSSXVHFJOKK-GFCCVEGCSA-N 1 2 293.348 2.217 20 5 CEBDLO O=[N+]([O-])c1ccc(N[C@H]2CCN(c3cccc[nH+]3)C2)nc1 ZINC000269897910 372592049 /nfs/dbraw/zinc/59/20/49/372592049.db2.gz YDVFOSZJCYUNOX-NSHDSACASA-N 1 2 285.307 2.076 20 5 CEBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000372299663 374090353 /nfs/dbraw/zinc/09/03/53/374090353.db2.gz BSKALXJBJASEAB-LBPRGKRZSA-N 1 2 282.727 2.205 20 5 CEBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000372299663 374090359 /nfs/dbraw/zinc/09/03/59/374090359.db2.gz BSKALXJBJASEAB-LBPRGKRZSA-N 1 2 282.727 2.205 20 5 CEBDLO Cc1c(C[N@H+]2CC[C@@H](C)[S@@](=O)CC2)cccc1[N+](=O)[O-] ZINC000277254733 374454712 /nfs/dbraw/zinc/45/47/12/374454712.db2.gz QLWYBMOAFVREON-GIPWTMENSA-N 1 2 296.392 2.246 20 5 CEBDLO Cc1c(C[N@@H+]2CC[C@@H](C)[S@@](=O)CC2)cccc1[N+](=O)[O-] ZINC000277254733 374454718 /nfs/dbraw/zinc/45/47/18/374454718.db2.gz QLWYBMOAFVREON-GIPWTMENSA-N 1 2 296.392 2.246 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000277353162 374489953 /nfs/dbraw/zinc/48/99/53/374489953.db2.gz DNBITNQWEVGUEA-YUNKPMOVSA-N 1 2 296.392 2.246 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000277353162 374489963 /nfs/dbraw/zinc/48/99/63/374489963.db2.gz DNBITNQWEVGUEA-YUNKPMOVSA-N 1 2 296.392 2.246 20 5 CEBDLO Cc1cc(NCC2([NH+]3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000277555722 374563934 /nfs/dbraw/zinc/56/39/34/374563934.db2.gz YBYVADJIKNHGOV-UHFFFAOYSA-N 1 2 291.351 2.180 20 5 CEBDLO CCn1nc(C)c([N+](=O)[O-])c1NCCc1cc[nH+]cc1C ZINC000280837194 375338018 /nfs/dbraw/zinc/33/80/18/375338018.db2.gz ZRCRVNDUICJCAH-UHFFFAOYSA-N 1 2 289.339 2.478 20 5 CEBDLO CC(C)COC(=O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282474449 375494322 /nfs/dbraw/zinc/49/43/22/375494322.db2.gz OEBSSGOBBDTCSO-UHFFFAOYSA-N 1 2 294.351 2.268 20 5 CEBDLO CC(C)COC(=O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282474449 375494331 /nfs/dbraw/zinc/49/43/31/375494331.db2.gz OEBSSGOBBDTCSO-UHFFFAOYSA-N 1 2 294.351 2.268 20 5 CEBDLO Nc1ccc(N[C@@H]2CCN(c3cccc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000286110342 375848001 /nfs/dbraw/zinc/84/80/01/375848001.db2.gz FXPNBXYHZWZUEE-GFCCVEGCSA-N 1 2 299.334 2.263 20 5 CEBDLO C=Cn1cc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cn1 ZINC000562500366 376911689 /nfs/dbraw/zinc/91/16/89/376911689.db2.gz LDTDVORYZZTZDZ-UHFFFAOYSA-N 1 2 284.319 2.450 20 5 CEBDLO C=Cn1cc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cn1 ZINC000562500366 376911690 /nfs/dbraw/zinc/91/16/90/376911690.db2.gz LDTDVORYZZTZDZ-UHFFFAOYSA-N 1 2 284.319 2.450 20 5 CEBDLO CC[N@@H+]1C[C@H](C)N(Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1C ZINC000330452324 377140024 /nfs/dbraw/zinc/14/00/24/377140024.db2.gz KSYZWENKGJKWGL-NEPJUHHUSA-N 1 2 293.367 2.215 20 5 CEBDLO CC[N@H+]1C[C@H](C)N(Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1C ZINC000330452324 377140031 /nfs/dbraw/zinc/14/00/31/377140031.db2.gz KSYZWENKGJKWGL-NEPJUHHUSA-N 1 2 293.367 2.215 20 5 CEBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000293005517 377389994 /nfs/dbraw/zinc/38/99/94/377389994.db2.gz HBOLGBVCSXYALO-SNVBAGLBSA-N 1 2 290.241 2.180 20 5 CEBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000293005517 377390000 /nfs/dbraw/zinc/39/00/00/377390000.db2.gz HBOLGBVCSXYALO-SNVBAGLBSA-N 1 2 290.241 2.180 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](C)[C@@H]1C ZINC000293172059 377456966 /nfs/dbraw/zinc/45/69/66/377456966.db2.gz WEPKVQXTWMYUHW-QWRGUYRKSA-N 1 2 277.324 2.182 20 5 CEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C)[C@@H]1C ZINC000293172059 377456973 /nfs/dbraw/zinc/45/69/73/377456973.db2.gz WEPKVQXTWMYUHW-QWRGUYRKSA-N 1 2 277.324 2.182 20 5 CEBDLO C[C@H]1CSCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332302785 377563026 /nfs/dbraw/zinc/56/30/26/377563026.db2.gz ZSSBMAYLDVADJL-VIFPVBQESA-N 1 2 292.364 2.408 20 5 CEBDLO C[C@H]1CSCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332302785 377563034 /nfs/dbraw/zinc/56/30/34/377563034.db2.gz ZSSBMAYLDVADJL-VIFPVBQESA-N 1 2 292.364 2.408 20 5 CEBDLO CCc1nnc(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])[nH]1 ZINC000296055374 378404692 /nfs/dbraw/zinc/40/46/92/378404692.db2.gz OZNKLJIWCAWVJT-UHFFFAOYSA-N 1 2 295.730 2.219 20 5 CEBDLO C[C@H](Cn1cc[nH+]c1)Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347430231 218231823 /nfs/dbraw/zinc/23/18/23/218231823.db2.gz NGUDTBUKPAHKLD-SNVBAGLBSA-N 1 2 298.306 2.235 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492857013 380710621 /nfs/dbraw/zinc/71/06/21/380710621.db2.gz JNRSJJJRYUTCFV-HYXAFXHYSA-N 1 2 272.264 2.278 20 5 CEBDLO CC[C@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@H]1O ZINC000413214710 394505348 /nfs/dbraw/zinc/50/53/48/394505348.db2.gz WNUQYOHIQFPLTI-IINYFYTJSA-N 1 2 287.319 2.350 20 5 CEBDLO C[C@H](O)[C@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413226154 394508332 /nfs/dbraw/zinc/50/83/32/394508332.db2.gz DIMGJQUVMFMITA-JQWIXIFHSA-N 1 2 287.319 2.350 20 5 CEBDLO Cc1[nH+]c(C(C)C)ccc1Cn1ncc([N+](=O)[O-])c1N ZINC000418906467 395242219 /nfs/dbraw/zinc/24/22/19/395242219.db2.gz WOORXLHXWZAKFJ-UHFFFAOYSA-N 1 2 275.312 2.249 20 5 CEBDLO O=[N+]([O-])c1cccc2c1CC[N@H+](CC1(F)CC1)C2 ZINC000569300403 395576440 /nfs/dbraw/zinc/57/64/40/395576440.db2.gz HISGBKLNMSIZCG-UHFFFAOYSA-N 1 2 250.273 2.455 20 5 CEBDLO O=[N+]([O-])c1cccc2c1CC[N@@H+](CC1(F)CC1)C2 ZINC000569300403 395576441 /nfs/dbraw/zinc/57/64/41/395576441.db2.gz HISGBKLNMSIZCG-UHFFFAOYSA-N 1 2 250.273 2.455 20 5 CEBDLO COc1cc(C[N@@H+]2CCOCC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000373326714 286219351 /nfs/dbraw/zinc/21/93/51/286219351.db2.gz VAZQPDNRVBNFCO-SNVBAGLBSA-N 1 2 298.314 2.353 20 5 CEBDLO COc1cc(C[N@H+]2CCOCC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000373326714 286219352 /nfs/dbraw/zinc/21/93/52/286219352.db2.gz VAZQPDNRVBNFCO-SNVBAGLBSA-N 1 2 298.314 2.353 20 5 CEBDLO Nc1ccc(CNc2ccc(F)cc2[N+](=O)[O-])c[nH+]1 ZINC000302757608 154193066 /nfs/dbraw/zinc/19/30/66/154193066.db2.gz JBTOQFAEWQMXIQ-UHFFFAOYSA-N 1 2 262.244 2.323 20 5 CEBDLO CC[C@H](F)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000440702128 263631775 /nfs/dbraw/zinc/63/17/75/263631775.db2.gz NKKWGKZPKLDVEL-LBPRGKRZSA-N 1 2 281.331 2.465 20 5 CEBDLO COC(=O)C1(C)C[NH+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000425371559 264202065 /nfs/dbraw/zinc/20/20/65/264202065.db2.gz HDPQKQSRUTUTLW-ALCCZGGFSA-N 1 2 290.319 2.103 20 5 CEBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2cncnc2)c(Cl)c1 ZINC000183802941 270240272 /nfs/dbraw/zinc/24/02/72/270240272.db2.gz NEIUWAJUXDZSQU-UHFFFAOYSA-N 1 2 278.699 2.328 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000430213329 271362905 /nfs/dbraw/zinc/36/29/05/271362905.db2.gz BIAMLMCKBMOOEP-OAHLLOKOSA-N 1 2 294.351 2.460 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000430213329 271362907 /nfs/dbraw/zinc/36/29/07/271362907.db2.gz BIAMLMCKBMOOEP-OAHLLOKOSA-N 1 2 294.351 2.460 20 5 CEBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@H](O)C1 ZINC000289409520 280353153 /nfs/dbraw/zinc/35/31/53/280353153.db2.gz URAJDGAVCLDJGR-VIFPVBQESA-N 1 2 291.134 2.468 20 5 CEBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@H](O)C1 ZINC000289409520 280353156 /nfs/dbraw/zinc/35/31/56/280353156.db2.gz URAJDGAVCLDJGR-VIFPVBQESA-N 1 2 291.134 2.468 20 5 CEBDLO CC[C@@H](O)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000420626390 280815766 /nfs/dbraw/zinc/81/57/66/280815766.db2.gz MDIBUEIHMDFQQC-LLVKDONJSA-N 1 2 261.281 2.326 20 5 CEBDLO Cn1cncc1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153253076 289108875 /nfs/dbraw/zinc/10/88/75/289108875.db2.gz XILGSDLJLQCVOC-UHFFFAOYSA-N 1 2 286.335 2.493 20 5 CEBDLO Cn1cncc1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153253076 289108877 /nfs/dbraw/zinc/10/88/77/289108877.db2.gz XILGSDLJLQCVOC-UHFFFAOYSA-N 1 2 286.335 2.493 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+]C1(CCO)CCCCC1 ZINC000339048237 304804303 /nfs/dbraw/zinc/80/43/03/304804303.db2.gz RYNHFMHIPHTJNZ-UHFFFAOYSA-N 1 2 294.351 2.475 20 5 CEBDLO Cc1c[nH+]ccc1NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000578708169 314507580 /nfs/dbraw/zinc/50/75/80/314507580.db2.gz JORGHKKXEHIZJB-NSHDSACASA-N 1 2 285.303 2.462 20 5 CEBDLO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC(F)(F)CO ZINC000184702567 524252022 /nfs/dbraw/zinc/25/20/22/524252022.db2.gz ISDQLVBNHIXJRU-SNVBAGLBSA-N 1 2 288.294 2.133 20 5 CEBDLO C[C@H](Cn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000049236000 524794468 /nfs/dbraw/zinc/79/44/68/524794468.db2.gz MVHXZIXJKCOGGS-SECBINFHSA-N 1 2 291.267 2.200 20 5 CEBDLO CC[N@H+](Cc1occc1C)Cc1c([N+](=O)[O-])ncn1C ZINC000412028262 528918207 /nfs/dbraw/zinc/91/82/07/528918207.db2.gz RORSSEIHPRBARE-UHFFFAOYSA-N 1 2 278.312 2.252 20 5 CEBDLO CC[N@@H+](Cc1occc1C)Cc1c([N+](=O)[O-])ncn1C ZINC000412028262 528918210 /nfs/dbraw/zinc/91/82/10/528918210.db2.gz RORSSEIHPRBARE-UHFFFAOYSA-N 1 2 278.312 2.252 20 5 CEBDLO CCC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(=O)OCC ZINC000097988261 529009699 /nfs/dbraw/zinc/00/96/99/529009699.db2.gz JWDKGDYREVEMLV-CQSZACIVSA-N 1 2 294.351 2.459 20 5 CEBDLO O=[N+]([O-])c1ncccc1NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000744164690 575115524 /nfs/dbraw/zinc/11/55/24/575115524.db2.gz FJELDYRGPWGJKB-UHFFFAOYSA-N 1 2 296.290 2.183 20 5 CEBDLO C[N@@H+](Cc1nccs1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591998 628500088 /nfs/dbraw/zinc/50/00/88/628500088.db2.gz NXKBRONRKXUCCJ-LBPRGKRZSA-N 1 2 293.348 2.217 20 5 CEBDLO C[N@H+](Cc1nccs1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591998 628500090 /nfs/dbraw/zinc/50/00/90/628500090.db2.gz NXKBRONRKXUCCJ-LBPRGKRZSA-N 1 2 293.348 2.217 20 5 CEBDLO Cc1nn(C[N@@H+]2CCCO[C@@H](C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000840093627 631839221 /nfs/dbraw/zinc/83/92/21/631839221.db2.gz BIALIAVYIYICTJ-CYBMUJFWSA-N 1 2 296.371 2.113 20 5 CEBDLO Cc1nn(C[N@H+]2CCCO[C@@H](C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000840093627 631839225 /nfs/dbraw/zinc/83/92/25/631839225.db2.gz BIALIAVYIYICTJ-CYBMUJFWSA-N 1 2 296.371 2.113 20 5 CEBDLO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cnn(C)n1 ZINC000924800570 635708119 /nfs/dbraw/zinc/70/81/19/635708119.db2.gz YXMWPIKEYWAGRT-UWVGGRQHSA-N 1 2 275.312 2.135 20 5 CEBDLO CC[C@@H](C)[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)C(=O)OC ZINC000905762239 636448381 /nfs/dbraw/zinc/44/83/81/636448381.db2.gz LZPAVMJYAOQWMW-BXUZGUMPSA-N 1 2 294.351 2.315 20 5 CEBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCCC1 ZINC000908282725 637284691 /nfs/dbraw/zinc/28/46/91/637284691.db2.gz VJKOIKJHBAWFJD-UHFFFAOYSA-N 1 2 293.323 2.028 20 5 CEBDLO O=C1OCC[C@@H]1[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831539191 637365877 /nfs/dbraw/zinc/36/58/77/637365877.db2.gz OJSMMFDOTMWRIE-JSGCOSHPSA-N 1 2 290.319 2.090 20 5 CEBDLO O=C1OCC[C@@H]1[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831539191 637365882 /nfs/dbraw/zinc/36/58/82/637365882.db2.gz OJSMMFDOTMWRIE-JSGCOSHPSA-N 1 2 290.319 2.090 20 5 CEBDLO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)c1 ZINC000844752832 640826923 /nfs/dbraw/zinc/82/69/23/640826923.db2.gz QEIGCYWRSHFQAL-PHIMTYICSA-N 1 2 294.261 2.099 20 5 CEBDLO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)c1 ZINC000844752832 640826926 /nfs/dbraw/zinc/82/69/26/640826926.db2.gz QEIGCYWRSHFQAL-PHIMTYICSA-N 1 2 294.261 2.099 20 5 CEBDLO CC1=CC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)CC1 ZINC000853504665 643793598 /nfs/dbraw/zinc/79/35/98/643793598.db2.gz NHXJKQPADZPIGC-UHFFFAOYSA-N 1 2 299.334 2.463 20 5 CEBDLO CC1=CC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)CC1 ZINC000853504665 643793602 /nfs/dbraw/zinc/79/36/02/643793602.db2.gz NHXJKQPADZPIGC-UHFFFAOYSA-N 1 2 299.334 2.463 20 5 CEBDLO Cc1sc(C(=O)N[C@@H]2CCn3c[nH+]cc32)cc1[N+](=O)[O-] ZINC000857988203 645039484 /nfs/dbraw/zinc/03/94/84/645039484.db2.gz COYPZPJZMWYZGA-MRVPVSSYSA-N 1 2 292.320 2.036 20 5 CEBDLO Cc1sc(C(=O)OCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000771899545 646567047 /nfs/dbraw/zinc/56/70/47/646567047.db2.gz WQPNEFWJQBVYDH-UHFFFAOYSA-N 1 2 281.293 2.018 20 5 CEBDLO CCc1ccc(C(=O)OCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000771983753 646580321 /nfs/dbraw/zinc/58/03/21/646580321.db2.gz LPJARUAFKBBSDT-UHFFFAOYSA-N 1 2 289.291 2.211 20 5 CEBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782612139 647643649 /nfs/dbraw/zinc/64/36/49/647643649.db2.gz ALNCBBVWLRIRSW-GXFFZTMASA-N 1 2 282.727 2.062 20 5 CEBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782612139 647643652 /nfs/dbraw/zinc/64/36/52/647643652.db2.gz ALNCBBVWLRIRSW-GXFFZTMASA-N 1 2 282.727 2.062 20 5 CEBDLO CCC[N@H+](CC[N+](=O)[O-])[C@H](C)C(=O)Nc1ccccc1 ZINC000791051362 648476491 /nfs/dbraw/zinc/47/64/91/648476491.db2.gz BONNDIAXBXYHDI-GFCCVEGCSA-N 1 2 279.340 2.002 20 5 CEBDLO CCC[N@@H+](CC[N+](=O)[O-])[C@H](C)C(=O)Nc1ccccc1 ZINC000791051362 648476494 /nfs/dbraw/zinc/47/64/94/648476494.db2.gz BONNDIAXBXYHDI-GFCCVEGCSA-N 1 2 279.340 2.002 20 5 CEBDLO Cc1c(F)cnc(NCc2cc[nH+]c(N)c2)c1[N+](=O)[O-] ZINC001167612635 803200576 /nfs/dbraw/zinc/20/05/76/803200576.db2.gz DRSODYODPXPUPG-UHFFFAOYSA-N 1 2 277.259 2.027 20 5 CEBDLO Nc1cc(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)cc[nH+]1 ZINC001167617430 803206189 /nfs/dbraw/zinc/20/61/89/803206189.db2.gz QGAGUHDQXNQQCQ-UHFFFAOYSA-N 1 2 299.334 2.458 20 5 CEBDLO C[NH+](C)Cc1csc(CNc2ccc([N+](=O)[O-])nc2)n1 ZINC000722390012 804414000 /nfs/dbraw/zinc/41/40/00/804414000.db2.gz GACHVGUVLGYBOV-UHFFFAOYSA-N 1 2 293.352 2.120 20 5 CEBDLO COC(=O)[C@@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001173215339 815623857 /nfs/dbraw/zinc/62/38/57/815623857.db2.gz VCASTESUKOUWJW-HZMBPMFUSA-N 1 2 292.335 2.067 20 5 CEBDLO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1Cc2cncnc2C1 ZINC001173224871 815629298 /nfs/dbraw/zinc/62/92/98/815629298.db2.gz HMJYYKABEYEICS-NSHDSACASA-N 1 2 284.319 2.332 20 5 CEBDLO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1Cc2cncnc2C1 ZINC001173224871 815629301 /nfs/dbraw/zinc/62/93/01/815629301.db2.gz HMJYYKABEYEICS-NSHDSACASA-N 1 2 284.319 2.332 20 5 CEBDLO CC[C@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC001173209256 815635006 /nfs/dbraw/zinc/63/50/06/815635006.db2.gz AWMKGMGGGVRDKH-GWCFXTLKSA-N 1 2 280.324 2.067 20 5 CEBDLO CCn1cc[nH+]c1CNc1cc(N)ccc1[N+](=O)[O-] ZINC000294951779 199267017 /nfs/dbraw/zinc/26/70/17/199267017.db2.gz JCBYFBJZNWESOD-UHFFFAOYSA-N 1 2 261.285 2.006 20 5 CEBDLO O=[N+]([O-])c1ccc2oc(C[NH+]3CCSCC3)nc2c1 ZINC000083168712 178348309 /nfs/dbraw/zinc/34/83/09/178348309.db2.gz QSZKTRUBKUCGPC-UHFFFAOYSA-N 1 2 279.321 2.285 20 5 CEBDLO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000126117411 187217886 /nfs/dbraw/zinc/21/78/86/187217886.db2.gz UFPWBZGLLXVHSW-IAQYHMDHSA-N 1 2 299.330 2.472 20 5 CEBDLO CC(C)c1nnc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)[nH]1 ZINC000449405398 282223194 /nfs/dbraw/zinc/22/31/94/282223194.db2.gz KQTFHFSFGBKMKO-UHFFFAOYSA-N 1 2 293.302 2.265 20 5 CEBDLO O=[N+]([O-])c1ccc(NCCc2cn3ccccc3[nH+]2)nc1 ZINC000022875060 343380196 /nfs/dbraw/zinc/38/01/96/343380196.db2.gz XXOXJPJAJSUOMC-UHFFFAOYSA-N 1 2 283.291 2.292 20 5 CEBDLO CCOC(=O)C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000047264522 343512890 /nfs/dbraw/zinc/51/28/90/343512890.db2.gz SZSJQGFTOCOCRP-UHFFFAOYSA-N 1 2 298.364 2.431 20 5 CEBDLO O=[N+]([O-])c1cccnc1NC1CCN(c2cccc[nH+]2)CC1 ZINC000052184914 343557194 /nfs/dbraw/zinc/55/71/94/343557194.db2.gz CZCXJDJPJCIWCN-UHFFFAOYSA-N 1 2 299.334 2.466 20 5 CEBDLO CC1(C)CC[N@H+](Cc2ccccc2[N+](=O)[O-])CC[S@@]1=O ZINC000449574178 282288812 /nfs/dbraw/zinc/28/88/12/282288812.db2.gz VTOQWVMBRSXEOF-FQEVSTJZSA-N 1 2 296.392 2.328 20 5 CEBDLO CC1(C)CC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC[S@@]1=O ZINC000449574178 282288813 /nfs/dbraw/zinc/28/88/13/282288813.db2.gz VTOQWVMBRSXEOF-FQEVSTJZSA-N 1 2 296.392 2.328 20 5 CEBDLO Cn1cc(C[N@@H+]2CC[C@H]2c2cccc(F)c2)c([N+](=O)[O-])n1 ZINC000602483048 347054200 /nfs/dbraw/zinc/05/42/00/347054200.db2.gz IHFORMRYIWPXRW-ZDUSSCGKSA-N 1 2 290.298 2.414 20 5 CEBDLO Cn1cc(C[N@H+]2CC[C@H]2c2cccc(F)c2)c([N+](=O)[O-])n1 ZINC000602483048 347054201 /nfs/dbraw/zinc/05/42/01/347054201.db2.gz IHFORMRYIWPXRW-ZDUSSCGKSA-N 1 2 290.298 2.414 20 5 CEBDLO O=C(CC[C@@H]1CCC[NH2+]C1)Nc1cc([N+](=O)[O-])ccc1O ZINC000236581091 344596251 /nfs/dbraw/zinc/59/62/51/344596251.db2.gz NEEJXMSUJFKYPL-JTQLQIEISA-N 1 2 293.323 2.019 20 5 CEBDLO COC[C@@H]1CCCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000449760936 282358252 /nfs/dbraw/zinc/35/82/52/282358252.db2.gz SMVIMHZXAVHPDR-LBPRGKRZSA-N 1 2 280.324 2.301 20 5 CEBDLO COC[C@@H]1CCCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000449760936 282358254 /nfs/dbraw/zinc/35/82/54/282358254.db2.gz SMVIMHZXAVHPDR-LBPRGKRZSA-N 1 2 280.324 2.301 20 5 CEBDLO C[N@@H+]1CCO[C@H](CSc2sccc2[N+](=O)[O-])C1 ZINC000591953631 345305086 /nfs/dbraw/zinc/30/50/86/345305086.db2.gz LUEGQHALWBGUOI-QMMMGPOBSA-N 1 2 274.367 2.079 20 5 CEBDLO C[N@H+]1CCO[C@H](CSc2sccc2[N+](=O)[O-])C1 ZINC000591953631 345305088 /nfs/dbraw/zinc/30/50/88/345305088.db2.gz LUEGQHALWBGUOI-QMMMGPOBSA-N 1 2 274.367 2.079 20 5 CEBDLO CC(C)Oc1cc[nH+]c(Cn2cc([N+](=O)[O-])cn2)c1 ZINC000593420787 345481776 /nfs/dbraw/zinc/48/17/76/345481776.db2.gz NWKWINLXVRCMQM-UHFFFAOYSA-N 1 2 262.269 2.022 20 5 CEBDLO Cc1nn(Cc2cc(OC(C)C)cc[nH+]2)cc1[N+](=O)[O-] ZINC000593423191 345482172 /nfs/dbraw/zinc/48/21/72/345482172.db2.gz LXTJJGKBPPYYLN-UHFFFAOYSA-N 1 2 276.296 2.330 20 5 CEBDLO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@@H](F)C1)OCCO2 ZINC000593697260 345524263 /nfs/dbraw/zinc/52/42/63/345524263.db2.gz SAFWVRCSINGNJT-LLVKDONJSA-N 1 2 296.298 2.300 20 5 CEBDLO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC[C@@H](F)C1)OCCO2 ZINC000593697260 345524265 /nfs/dbraw/zinc/52/42/65/345524265.db2.gz SAFWVRCSINGNJT-LLVKDONJSA-N 1 2 296.298 2.300 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1nccn1C ZINC000595012839 345727018 /nfs/dbraw/zinc/72/70/18/345727018.db2.gz PEJOULPDGRWDGH-JTQLQIEISA-N 1 2 290.323 2.188 20 5 CEBDLO COC[C@@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])c1ccccc1 ZINC000595416380 345776991 /nfs/dbraw/zinc/77/69/91/345776991.db2.gz WBTUNCPBBIAOFI-GFCCVEGCSA-N 1 2 291.307 2.369 20 5 CEBDLO Cc1noc(C[NH2+][C@H](C)c2cnccc2C)c1[N+](=O)[O-] ZINC000595424619 345779107 /nfs/dbraw/zinc/77/91/07/345779107.db2.gz HMOOQEIWENNYRO-SECBINFHSA-N 1 2 276.296 2.445 20 5 CEBDLO C[C@H]1C[C@@H](Nc2c(Cl)cncc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000596256881 345982212 /nfs/dbraw/zinc/98/22/12/345982212.db2.gz HSQWOVFNHVTGRN-IONNQARKSA-N 1 2 293.714 2.380 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000596432710 346022629 /nfs/dbraw/zinc/02/26/29/346022629.db2.gz SCINMWZLDOMRQF-CHWSQXEVSA-N 1 2 293.367 2.424 20 5 CEBDLO Cc1cccc([N+](=O)[O-])c1NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000596432710 346022633 /nfs/dbraw/zinc/02/26/33/346022633.db2.gz SCINMWZLDOMRQF-CHWSQXEVSA-N 1 2 293.367 2.424 20 5 CEBDLO O=[N+]([O-])c1ccc(CC[N@H+]2CCCc3[nH]ncc3C2)cc1 ZINC000596597413 346062624 /nfs/dbraw/zinc/06/26/24/346062624.db2.gz RJWDKJAFZDCZMU-UHFFFAOYSA-N 1 2 286.335 2.309 20 5 CEBDLO C[C@@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1O ZINC000351751972 219195652 /nfs/dbraw/zinc/19/56/52/219195652.db2.gz BFFUMMXUTOTOIM-AMIZOPFISA-N 1 2 286.278 2.076 20 5 CEBDLO C[C@@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1O ZINC000351751972 219195654 /nfs/dbraw/zinc/19/56/54/219195654.db2.gz BFFUMMXUTOTOIM-AMIZOPFISA-N 1 2 286.278 2.076 20 5 CEBDLO COC[C@@]1(C)C[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000599692556 346569072 /nfs/dbraw/zinc/56/90/72/346569072.db2.gz JYNWNJVJPZVWQU-SWLSCSKDSA-N 1 2 294.351 2.393 20 5 CEBDLO COC[C@@]1(C)C[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000599692556 346569076 /nfs/dbraw/zinc/56/90/76/346569076.db2.gz JYNWNJVJPZVWQU-SWLSCSKDSA-N 1 2 294.351 2.393 20 5 CEBDLO COCC1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000601186707 346780600 /nfs/dbraw/zinc/78/06/00/346780600.db2.gz WSKFMJGPMPPKSU-UHFFFAOYSA-N 1 2 273.292 2.226 20 5 CEBDLO CC[C@@](C)([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1nccs1 ZINC000602796160 347202211 /nfs/dbraw/zinc/20/22/11/347202211.db2.gz VRVJTWHHBKAAIZ-GFCCVEGCSA-N 1 2 295.368 2.200 20 5 CEBDLO CC1(C)COCC[N@@H+]1CCNc1ccsc1[N+](=O)[O-] ZINC000609120406 347626257 /nfs/dbraw/zinc/62/62/57/347626257.db2.gz IPCZGXBEQJJYER-UHFFFAOYSA-N 1 2 285.369 2.179 20 5 CEBDLO CC1(C)COCC[N@H+]1CCNc1ccsc1[N+](=O)[O-] ZINC000609120406 347626260 /nfs/dbraw/zinc/62/62/60/347626260.db2.gz IPCZGXBEQJJYER-UHFFFAOYSA-N 1 2 285.369 2.179 20 5 CEBDLO Cc1cccc(NCC[N@H+]2CCOC[C@@H]2C)c1[N+](=O)[O-] ZINC000614976866 348262171 /nfs/dbraw/zinc/26/21/71/348262171.db2.gz RAEXFJVXYVLUBF-LBPRGKRZSA-N 1 2 279.340 2.036 20 5 CEBDLO Cc1cccc(NCC[N@@H+]2CCOC[C@@H]2C)c1[N+](=O)[O-] ZINC000614976866 348262174 /nfs/dbraw/zinc/26/21/74/348262174.db2.gz RAEXFJVXYVLUBF-LBPRGKRZSA-N 1 2 279.340 2.036 20 5 CEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCCC1 ZINC000615990694 348425262 /nfs/dbraw/zinc/42/52/62/348425262.db2.gz XFRNOMRNEROWEV-UHFFFAOYSA-N 1 2 291.351 2.027 20 5 CEBDLO COCc1cc([N+](=O)[O-])ccc1NCCn1cc[nH+]c1 ZINC000273435906 192148621 /nfs/dbraw/zinc/14/86/21/192148621.db2.gz BVOSWLDGFJSQFP-UHFFFAOYSA-N 1 2 276.296 2.050 20 5 CEBDLO C[C@H]1COCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000618288426 348920065 /nfs/dbraw/zinc/92/00/65/348920065.db2.gz KYIWIIMKUYMUIP-JTQLQIEISA-N 1 2 290.323 2.082 20 5 CEBDLO C[C@H]1COCCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000618288426 348920068 /nfs/dbraw/zinc/92/00/68/348920068.db2.gz KYIWIIMKUYMUIP-JTQLQIEISA-N 1 2 290.323 2.082 20 5 CEBDLO O=[N+]([O-])c1cnc(N2CCC[C@H](n3cc[nH+]c3)C2)s1 ZINC000619695389 349219332 /nfs/dbraw/zinc/21/93/32/349219332.db2.gz GLSGESATZAXICN-VIFPVBQESA-N 1 2 279.325 2.089 20 5 CEBDLO Cc1cc[nH+]cc1N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000619589491 349203003 /nfs/dbraw/zinc/20/30/03/349203003.db2.gz GKOYQLIHOGRUDW-UHFFFAOYSA-N 1 2 299.334 2.020 20 5 CEBDLO CC(C)c1nnc(C[NH2+]Cc2csc([N+](=O)[O-])c2)[nH]1 ZINC000294769787 199174702 /nfs/dbraw/zinc/17/47/02/199174702.db2.gz KDCQKZSQDXGWNR-UHFFFAOYSA-N 1 2 281.341 2.188 20 5 CEBDLO Cc1c([C@@H](C)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])cnn1C ZINC000339086517 366646312 /nfs/dbraw/zinc/64/63/12/366646312.db2.gz NEZQNXOWIOWLSA-SECBINFHSA-N 1 2 290.323 2.193 20 5 CEBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)c1ncn(C)n1 ZINC000275664437 193098653 /nfs/dbraw/zinc/09/86/53/193098653.db2.gz YLOBAGDMAUCRPA-WDEREUQCSA-N 1 2 289.339 2.444 20 5 CEBDLO Cc1cc(S(=O)(=O)Nc2cc[nH+]cc2)ccc1[N+](=O)[O-] ZINC000172192825 367695688 /nfs/dbraw/zinc/69/56/88/367695688.db2.gz FERSYGFHDSTQMP-UHFFFAOYSA-N 1 2 293.304 2.099 20 5 CEBDLO Cc1ccc2[nH+]c(CNc3cc(C)c([N+](=O)[O-])cn3)cn2c1 ZINC000346124631 368550328 /nfs/dbraw/zinc/55/03/28/368550328.db2.gz XUDBKZJZNAWFID-UHFFFAOYSA-N 1 2 297.318 2.288 20 5 CEBDLO Cc1ccc(Cn2cc([N+](=O)[O-])cc(C)c2=O)c(C)[nH+]1 ZINC000185386371 368801032 /nfs/dbraw/zinc/80/10/32/368801032.db2.gz ADWCHYQICXVRNI-UHFFFAOYSA-N 1 2 273.292 2.125 20 5 CEBDLO O=[N+]([O-])c1cccc(-c2cnn(CCn3cc[nH+]c3)c2)c1 ZINC000349160537 369255082 /nfs/dbraw/zinc/25/50/82/369255082.db2.gz QADPSYIMBODZKP-UHFFFAOYSA-N 1 2 283.291 2.355 20 5 CEBDLO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352407625 369715972 /nfs/dbraw/zinc/71/59/72/369715972.db2.gz QZDPUHGJTSHQEY-BDAKNGLRSA-N 1 2 286.278 2.076 20 5 CEBDLO C[C@@H]1[C@H](CO)CC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352407625 369715977 /nfs/dbraw/zinc/71/59/77/369715977.db2.gz QZDPUHGJTSHQEY-BDAKNGLRSA-N 1 2 286.278 2.076 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)cc1F ZINC000227400929 370371193 /nfs/dbraw/zinc/37/11/93/370371193.db2.gz IGKWWGMSDSYQTM-ZIAGYGMSSA-N 1 2 280.299 2.487 20 5 CEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@@H]3CCC[C@H]32)cc1F ZINC000227400929 370371197 /nfs/dbraw/zinc/37/11/97/370371197.db2.gz IGKWWGMSDSYQTM-ZIAGYGMSSA-N 1 2 280.299 2.487 20 5 CEBDLO CCC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(=O)OC ZINC000255126407 371560502 /nfs/dbraw/zinc/56/05/02/371560502.db2.gz SJOUFLILHVDJQR-VURMDHGXSA-N 1 2 292.335 2.493 20 5 CEBDLO CCC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(=O)OC ZINC000255126407 371560507 /nfs/dbraw/zinc/56/05/07/371560507.db2.gz SJOUFLILHVDJQR-VURMDHGXSA-N 1 2 292.335 2.493 20 5 CEBDLO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ncnn2C)cc1[N+](=O)[O-] ZINC000353307172 220018392 /nfs/dbraw/zinc/01/83/92/220018392.db2.gz RBIUQKMAFWFCHD-WDEREUQCSA-N 1 2 289.339 2.444 20 5 CEBDLO Cc1cc(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])cc[nH+]1 ZINC000269504571 372472420 /nfs/dbraw/zinc/47/24/20/372472420.db2.gz ZPSUORMMLYISIF-UHFFFAOYSA-N 1 2 289.295 2.397 20 5 CEBDLO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ncnn1C ZINC000276725785 374280618 /nfs/dbraw/zinc/28/06/18/374280618.db2.gz XWYQYUQKJTZQPO-NXEZZACHSA-N 1 2 275.312 2.135 20 5 CEBDLO O=c1[nH]ccc2c1C[N@H+](Cc1csc([N+](=O)[O-])c1)CC2 ZINC000276951200 374357762 /nfs/dbraw/zinc/35/77/62/374357762.db2.gz OSHPMTCKZSRDJL-UHFFFAOYSA-N 1 2 291.332 2.315 20 5 CEBDLO O=c1[nH]ccc2c1C[N@@H+](Cc1csc([N+](=O)[O-])c1)CC2 ZINC000276951200 374357768 /nfs/dbraw/zinc/35/77/68/374357768.db2.gz OSHPMTCKZSRDJL-UHFFFAOYSA-N 1 2 291.332 2.315 20 5 CEBDLO Cc1ccc(C[N@H+]2CC[C@@H](C)[S@@](=O)CC2)cc1[N+](=O)[O-] ZINC000277443473 374521981 /nfs/dbraw/zinc/52/19/81/374521981.db2.gz JKZSVHRFANMFQZ-ODXCJYRJSA-N 1 2 296.392 2.246 20 5 CEBDLO Cc1ccc(C[N@@H+]2CC[C@@H](C)[S@@](=O)CC2)cc1[N+](=O)[O-] ZINC000277443473 374521985 /nfs/dbraw/zinc/52/19/85/374521985.db2.gz JKZSVHRFANMFQZ-ODXCJYRJSA-N 1 2 296.392 2.246 20 5 CEBDLO C[C@H]([NH+]=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1)[C@H]1CCCOC1 ZINC000388891636 375296542 /nfs/dbraw/zinc/29/65/42/375296542.db2.gz LFPVNQDWXZHLII-UWVGGRQHSA-N 1 2 290.323 2.120 20 5 CEBDLO C[C@H]1OCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@H]1C ZINC000282653598 375541287 /nfs/dbraw/zinc/54/12/87/375541287.db2.gz CNUKSZMWNWQPRN-VHSXEESVSA-N 1 2 268.288 2.343 20 5 CEBDLO C[C@H]1OCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@H]1C ZINC000282653598 375541293 /nfs/dbraw/zinc/54/12/93/375541293.db2.gz CNUKSZMWNWQPRN-VHSXEESVSA-N 1 2 268.288 2.343 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCCC[C@@H]1CCO ZINC000330579270 377192706 /nfs/dbraw/zinc/19/27/06/377192706.db2.gz OSIZNVAZNRKQEO-GFCCVEGCSA-N 1 2 280.324 2.037 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCCC[C@@H]1CCO ZINC000330579270 377192712 /nfs/dbraw/zinc/19/27/12/377192712.db2.gz OSIZNVAZNRKQEO-GFCCVEGCSA-N 1 2 280.324 2.037 20 5 CEBDLO CC[C@@H](C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000273043793 249352144 /nfs/dbraw/zinc/35/21/44/249352144.db2.gz GRKWGJRIMQBEBZ-SNVBAGLBSA-N 1 2 297.380 2.213 20 5 CEBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1conc1C ZINC000293689189 377700769 /nfs/dbraw/zinc/70/07/69/377700769.db2.gz WFWGJCNPMHYPSM-UHFFFAOYSA-N 1 2 277.280 2.190 20 5 CEBDLO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)CC(C)(C)CO ZINC000295300305 378092620 /nfs/dbraw/zinc/09/26/20/378092620.db2.gz UYCAYJIFGQXEQB-UHFFFAOYSA-N 1 2 288.294 2.323 20 5 CEBDLO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)CC(C)(C)CO ZINC000295300305 378092627 /nfs/dbraw/zinc/09/26/27/378092627.db2.gz UYCAYJIFGQXEQB-UHFFFAOYSA-N 1 2 288.294 2.323 20 5 CEBDLO CCc1nnc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)[nH]1 ZINC000296207486 378453603 /nfs/dbraw/zinc/45/36/03/378453603.db2.gz ZNYPDWUMVGWSIV-UHFFFAOYSA-N 1 2 295.730 2.219 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](C(C)C)C1COC1 ZINC000451119774 378714273 /nfs/dbraw/zinc/71/42/73/378714273.db2.gz HNMWIHGLZIOZSQ-UHFFFAOYSA-N 1 2 280.324 2.213 20 5 CEBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C(C)C)C1COC1 ZINC000451119774 378714276 /nfs/dbraw/zinc/71/42/76/378714276.db2.gz HNMWIHGLZIOZSQ-UHFFFAOYSA-N 1 2 280.324 2.213 20 5 CEBDLO C[N@H+](Cc1cnc2cnccn12)Cc1ccccc1[N+](=O)[O-] ZINC000507135955 379096845 /nfs/dbraw/zinc/09/68/45/379096845.db2.gz VXXZBLFFFIZWIL-UHFFFAOYSA-N 1 2 297.318 2.270 20 5 CEBDLO C[N@@H+](Cc1cnc2cnccn12)Cc1ccccc1[N+](=O)[O-] ZINC000507135955 379096850 /nfs/dbraw/zinc/09/68/50/379096850.db2.gz VXXZBLFFFIZWIL-UHFFFAOYSA-N 1 2 297.318 2.270 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000549451463 380602578 /nfs/dbraw/zinc/60/25/78/380602578.db2.gz BDEZLXIRPPEQED-JTQLQIEISA-N 1 2 288.250 2.114 20 5 CEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@H](OC(F)F)C1 ZINC000549451463 380602582 /nfs/dbraw/zinc/60/25/82/380602582.db2.gz BDEZLXIRPPEQED-JTQLQIEISA-N 1 2 288.250 2.114 20 5 CEBDLO O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1CCC(O)CC1 ZINC000093097662 285117018 /nfs/dbraw/zinc/11/70/18/285117018.db2.gz BCOQIRIMSBGSNK-UHFFFAOYSA-N 1 2 270.716 2.205 20 5 CEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCO[C@H](CF)C3)c2c1 ZINC000413481803 285147852 /nfs/dbraw/zinc/14/78/52/285147852.db2.gz XLBMCOBMMNWWPD-GFCCVEGCSA-N 1 2 291.282 2.318 20 5 CEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC[C@H](O)C3)c2c1 ZINC000413027412 285147890 /nfs/dbraw/zinc/14/78/90/285147890.db2.gz YTPVZPNFXBHJHE-LBPRGKRZSA-N 1 2 273.292 2.104 20 5 CEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC[C@@H](O)C3)c2c1 ZINC000413027411 285147933 /nfs/dbraw/zinc/14/79/33/285147933.db2.gz YTPVZPNFXBHJHE-GFCCVEGCSA-N 1 2 273.292 2.104 20 5 CEBDLO CC[C@@H](C)[N@H+](CC(=O)OC)Cc1cccc([N+](=O)[O-])c1 ZINC000281433732 195239288 /nfs/dbraw/zinc/23/92/88/195239288.db2.gz ZSUSFOPKAFKYDF-LLVKDONJSA-N 1 2 280.324 2.368 20 5 CEBDLO CC[C@@H](C)[N@@H+](CC(=O)OC)Cc1cccc([N+](=O)[O-])c1 ZINC000281433732 195239289 /nfs/dbraw/zinc/23/92/89/195239289.db2.gz ZSUSFOPKAFKYDF-LLVKDONJSA-N 1 2 280.324 2.368 20 5 CEBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420943591 394449831 /nfs/dbraw/zinc/44/98/31/394449831.db2.gz RLGCWBIWBLIDJR-NEPJUHHUSA-N 1 2 294.351 2.128 20 5 CEBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420943591 394449834 /nfs/dbraw/zinc/44/98/34/394449834.db2.gz RLGCWBIWBLIDJR-NEPJUHHUSA-N 1 2 294.351 2.128 20 5 CEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC[C@@](O)(C4CC4)C3)c2c1 ZINC000413276843 296510252 /nfs/dbraw/zinc/51/02/52/296510252.db2.gz ZENUXLHABDDKGK-INIZCTEOSA-N 1 2 299.330 2.494 20 5 CEBDLO CC[C@H](F)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000440711742 395347466 /nfs/dbraw/zinc/34/74/66/395347466.db2.gz ONQCFOLDCYLSBI-LBPRGKRZSA-N 1 2 281.331 2.465 20 5 CEBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420933668 395438525 /nfs/dbraw/zinc/43/85/25/395438525.db2.gz HXHCHVMRCUHFAX-FZMZJTMJSA-N 1 2 294.351 2.128 20 5 CEBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420933668 395438529 /nfs/dbraw/zinc/43/85/29/395438529.db2.gz HXHCHVMRCUHFAX-FZMZJTMJSA-N 1 2 294.351 2.128 20 5 CEBDLO C[C@H]([NH2+][C@@H](C)c1nccc(N)n1)c1ccc([N+](=O)[O-])cc1 ZINC000566425262 395521791 /nfs/dbraw/zinc/52/17/91/395521791.db2.gz BZIUIVHLYILSHT-UWVGGRQHSA-N 1 2 287.323 2.209 20 5 CEBDLO COc1cc(C[N@@H+]2CC[C@H](F)C2)ccc1[N+](=O)[O-] ZINC000451202307 395593318 /nfs/dbraw/zinc/59/33/18/395593318.db2.gz WYNASSOSPKOPCC-JTQLQIEISA-N 1 2 254.261 2.147 20 5 CEBDLO COc1cc(C[N@H+]2CC[C@H](F)C2)ccc1[N+](=O)[O-] ZINC000451202307 395593320 /nfs/dbraw/zinc/59/33/20/395593320.db2.gz WYNASSOSPKOPCC-JTQLQIEISA-N 1 2 254.261 2.147 20 5 CEBDLO COc1cc(C[N@@H+]2CC[C@H](O)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000292558122 286219960 /nfs/dbraw/zinc/21/99/60/286219960.db2.gz ZDGVFJFZINTMJO-ONGXEEELSA-N 1 2 298.314 2.088 20 5 CEBDLO COc1cc(C[N@H+]2CC[C@H](O)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000292558122 286219961 /nfs/dbraw/zinc/21/99/61/286219961.db2.gz ZDGVFJFZINTMJO-ONGXEEELSA-N 1 2 298.314 2.088 20 5 CEBDLO CCc1c[nH+]ccc1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000358277325 154553621 /nfs/dbraw/zinc/55/36/21/154553621.db2.gz ZNMYLYCLMRKKON-UHFFFAOYSA-N 1 2 277.305 2.288 20 5 CEBDLO O=C(C[N@@H+]1C[C@H]2CCCC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000368267641 156312210 /nfs/dbraw/zinc/31/22/10/156312210.db2.gz ZZAJDZIXAHVLLR-DGCLKSJQSA-N 1 2 289.335 2.408 20 5 CEBDLO O=C(C[N@H+]1C[C@H]2CCCC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000368267641 156312213 /nfs/dbraw/zinc/31/22/13/156312213.db2.gz ZZAJDZIXAHVLLR-DGCLKSJQSA-N 1 2 289.335 2.408 20 5 CEBDLO Cc1cnn(C2C[NH+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)c1 ZINC000375854524 157153164 /nfs/dbraw/zinc/15/31/64/157153164.db2.gz ZOKOPPUFIBYDMA-UHFFFAOYSA-N 1 2 286.335 2.465 20 5 CEBDLO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccco1 ZINC000008198972 170323701 /nfs/dbraw/zinc/32/37/01/170323701.db2.gz VYEBPQYVRKQGQP-UHFFFAOYSA-N 1 2 289.291 2.258 20 5 CEBDLO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccco1 ZINC000008198972 170323703 /nfs/dbraw/zinc/32/37/03/170323703.db2.gz VYEBPQYVRKQGQP-UHFFFAOYSA-N 1 2 289.291 2.258 20 5 CEBDLO Cc1nn(Cc2cn3c(cccc3C)[nH+]2)cc1[N+](=O)[O-] ZINC000354932042 227246276 /nfs/dbraw/zinc/24/62/76/227246276.db2.gz TVTMUQPCFOEDLF-UHFFFAOYSA-N 1 2 271.280 2.104 20 5 CEBDLO C[C@@]1(O)CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413163372 278129273 /nfs/dbraw/zinc/12/92/73/278129273.db2.gz BIALABWGEJFNQH-CQSZACIVSA-N 1 2 273.292 2.104 20 5 CEBDLO C[C@]1([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000339082846 278567286 /nfs/dbraw/zinc/56/72/86/278567286.db2.gz KPUYFJLCZNRCLV-GJZGRUSLSA-N 1 2 292.335 2.348 20 5 CEBDLO Cc1ncc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC000351880697 279152785 /nfs/dbraw/zinc/15/27/85/279152785.db2.gz XVSKGASFPZDQDO-UHFFFAOYSA-N 1 2 284.319 2.252 20 5 CEBDLO Cc1ncc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC000351880697 279152788 /nfs/dbraw/zinc/15/27/88/279152788.db2.gz XVSKGASFPZDQDO-UHFFFAOYSA-N 1 2 284.319 2.252 20 5 CEBDLO C[C@@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000413041705 288280491 /nfs/dbraw/zinc/28/04/91/288280491.db2.gz XNYXZOOBSUUMTB-SNVBAGLBSA-N 1 2 273.292 2.368 20 5 CEBDLO C[C@]1([NH3+])CCCC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000423717675 281081822 /nfs/dbraw/zinc/08/18/22/281081822.db2.gz ANTPBZFQGQJDMJ-HZMBPMFUSA-N 1 2 293.323 2.147 20 5 CEBDLO CCn1cnnc1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000158416505 289233550 /nfs/dbraw/zinc/23/35/50/289233550.db2.gz OSVXPDFQRXROTR-LLVKDONJSA-N 1 2 289.339 2.365 20 5 CEBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@](F)(CO)C1 ZINC000347331138 290267353 /nfs/dbraw/zinc/26/73/53/290267353.db2.gz GBWDLRQMIBOKAX-RISCZKNCSA-N 1 2 282.315 2.452 20 5 CEBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@](F)(CO)C1 ZINC000347331138 290267355 /nfs/dbraw/zinc/26/73/55/290267355.db2.gz GBWDLRQMIBOKAX-RISCZKNCSA-N 1 2 282.315 2.452 20 5 CEBDLO Cc1cn2c([nH+]1)CN(c1cccc(C)c1[N+](=O)[O-])CC2 ZINC000368736209 302324364 /nfs/dbraw/zinc/32/43/64/302324364.db2.gz NZTCTDKKBHQPSW-UHFFFAOYSA-N 1 2 272.308 2.428 20 5 CEBDLO Cc1ccc(N[C@@H](C)C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000049509327 525310499 /nfs/dbraw/zinc/31/04/99/525310499.db2.gz NFOWQTJKPNWPBS-LBPRGKRZSA-N 1 2 279.340 2.036 20 5 CEBDLO Cc1ccc(CCNc2ccc([N+](=O)[O-])c3nonc32)c[nH+]1 ZINC000732050031 574610675 /nfs/dbraw/zinc/61/06/75/574610675.db2.gz JBTOUTLHKHCYIU-UHFFFAOYSA-N 1 2 299.290 2.489 20 5 CEBDLO C[N@@H+]1CCCC[C@@H]1C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000741146146 574977434 /nfs/dbraw/zinc/97/74/34/574977434.db2.gz CDAFVGLFEARZEB-CYBMUJFWSA-N 1 2 278.308 2.122 20 5 CEBDLO C[N@H+]1CCCC[C@@H]1C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000741146146 574977435 /nfs/dbraw/zinc/97/74/35/574977435.db2.gz CDAFVGLFEARZEB-CYBMUJFWSA-N 1 2 278.308 2.122 20 5 CEBDLO C[N@@H+]1CCCC[C@H]1C(=O)OCc1cc(F)ccc1[N+](=O)[O-] ZINC000745081009 575132290 /nfs/dbraw/zinc/13/22/90/575132290.db2.gz DTRZHWFCFOOJOH-ZDUSSCGKSA-N 1 2 296.298 2.261 20 5 CEBDLO C[N@H+]1CCCC[C@H]1C(=O)OCc1cc(F)ccc1[N+](=O)[O-] ZINC000745081009 575132291 /nfs/dbraw/zinc/13/22/91/575132291.db2.gz DTRZHWFCFOOJOH-ZDUSSCGKSA-N 1 2 296.298 2.261 20 5 CEBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC2(C1)OCCO2 ZINC000160676001 623444378 /nfs/dbraw/zinc/44/43/78/623444378.db2.gz ZLSPRPNCKYKQEK-LLVKDONJSA-N 1 2 278.308 2.105 20 5 CEBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC2(C1)OCCO2 ZINC000160676001 623444381 /nfs/dbraw/zinc/44/43/81/623444381.db2.gz ZLSPRPNCKYKQEK-LLVKDONJSA-N 1 2 278.308 2.105 20 5 CEBDLO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@@H]1C1OCCO1 ZINC000933909143 624081132 /nfs/dbraw/zinc/08/11/32/624081132.db2.gz LPKHFYRUXOCUPK-CYBMUJFWSA-N 1 2 296.298 2.071 20 5 CEBDLO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@@H]1C1OCCO1 ZINC000933909143 624081139 /nfs/dbraw/zinc/08/11/39/624081139.db2.gz LPKHFYRUXOCUPK-CYBMUJFWSA-N 1 2 296.298 2.071 20 5 CEBDLO CCn1c(C)nc([N+](=O)[O-])c1NCc1cc[nH+]c(NC)c1 ZINC000895254628 630064958 /nfs/dbraw/zinc/06/49/58/630064958.db2.gz CMUDCVCLYNYNFG-UHFFFAOYSA-N 1 2 290.327 2.168 20 5 CEBDLO COCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000895971817 630424068 /nfs/dbraw/zinc/42/40/68/630424068.db2.gz UHKDGRANYJRNLI-UHFFFAOYSA-N 1 2 270.716 2.326 20 5 CEBDLO CCn1c[nH+]c2c1CCN(c1ccc([N+](=O)[O-])c(C)n1)C2 ZINC000896660085 630624259 /nfs/dbraw/zinc/62/42/59/630624259.db2.gz JYOIFKVPTJJNHT-UHFFFAOYSA-N 1 2 287.323 2.077 20 5 CEBDLO CC[N@H+](Cc1nc(CCC(C)(C)[N+](=O)[O-])no1)C1CC1 ZINC000812812750 632589507 /nfs/dbraw/zinc/58/95/07/632589507.db2.gz QTNYGMNRYLEPFG-UHFFFAOYSA-N 1 2 282.344 2.042 20 5 CEBDLO CC[N@@H+](Cc1nc(CCC(C)(C)[N+](=O)[O-])no1)C1CC1 ZINC000812812750 632589510 /nfs/dbraw/zinc/58/95/10/632589510.db2.gz QTNYGMNRYLEPFG-UHFFFAOYSA-N 1 2 282.344 2.042 20 5 CEBDLO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cn(C)nn2)cc1[N+](=O)[O-] ZINC000902874382 634866955 /nfs/dbraw/zinc/86/69/55/634866955.db2.gz FLFCREFPYQFLNZ-QWRGUYRKSA-N 1 2 289.339 2.444 20 5 CEBDLO O=[N+]([O-])c1cccc2c1CC[N@H+](Cc1cnn3c1CCC3)C2 ZINC000824819815 635505267 /nfs/dbraw/zinc/50/52/67/635505267.db2.gz UKCYABORFSIYCC-UHFFFAOYSA-N 1 2 298.346 2.296 20 5 CEBDLO O=[N+]([O-])c1cccc2c1CC[N@@H+](Cc1cnn3c1CCC3)C2 ZINC000824819815 635505273 /nfs/dbraw/zinc/50/52/73/635505273.db2.gz UKCYABORFSIYCC-UHFFFAOYSA-N 1 2 298.346 2.296 20 5 CEBDLO CC[C@H](C)[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000905760818 636446915 /nfs/dbraw/zinc/44/69/15/636446915.db2.gz LPNXKEOSJDAQAP-FZMZJTMJSA-N 1 2 294.351 2.315 20 5 CEBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000908281336 637283679 /nfs/dbraw/zinc/28/36/79/637283679.db2.gz RPDBXNVYRAQBHC-LBPRGKRZSA-N 1 2 293.323 2.026 20 5 CEBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCC[N@H+]1C ZINC000908281336 637283680 /nfs/dbraw/zinc/28/36/80/637283680.db2.gz RPDBXNVYRAQBHC-LBPRGKRZSA-N 1 2 293.323 2.026 20 5 CEBDLO CC1(C)CC[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000173438218 639857800 /nfs/dbraw/zinc/85/78/00/639857800.db2.gz UZODNDAPXFPNTD-UHFFFAOYSA-N 1 2 291.307 2.192 20 5 CEBDLO CC1(C)CC[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000173438218 639857808 /nfs/dbraw/zinc/85/78/08/639857808.db2.gz UZODNDAPXFPNTD-UHFFFAOYSA-N 1 2 291.307 2.192 20 5 CEBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844448798 640729814 /nfs/dbraw/zinc/72/98/14/640729814.db2.gz CJQUFCVQZPSYQI-DTORHVGOSA-N 1 2 272.226 2.431 20 5 CEBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844448798 640729816 /nfs/dbraw/zinc/72/98/16/640729816.db2.gz CJQUFCVQZPSYQI-DTORHVGOSA-N 1 2 272.226 2.431 20 5 CEBDLO O=C(OCCCn1cc[nH+]c1)c1ccccc1[N+](=O)[O-] ZINC000763288635 645529694 /nfs/dbraw/zinc/52/96/94/645529694.db2.gz QBTJVYSGDDOXJJ-UHFFFAOYSA-N 1 2 275.264 2.038 20 5 CEBDLO COc1cc(F)c([N+](=O)[O-])c(N[C@H](C)Cn2cc[nH+]c2)c1 ZINC000774516549 646857224 /nfs/dbraw/zinc/85/72/24/646857224.db2.gz UAWPKEWGDSKEKY-SECBINFHSA-N 1 2 294.286 2.440 20 5 CEBDLO Cc1nn(C[N@@H+](C)Cc2cccc(C)c2)cc1[N+](=O)[O-] ZINC000779859937 647366920 /nfs/dbraw/zinc/36/69/20/647366920.db2.gz OJYRKNJUUHHPNQ-UHFFFAOYSA-N 1 2 274.324 2.498 20 5 CEBDLO Cc1nn(C[N@H+](C)Cc2cccc(C)c2)cc1[N+](=O)[O-] ZINC000779859937 647366922 /nfs/dbraw/zinc/36/69/22/647366922.db2.gz OJYRKNJUUHHPNQ-UHFFFAOYSA-N 1 2 274.324 2.498 20 5 CEBDLO O=C(OCCCn1cc[nH+]c1)c1cc(F)ccc1[N+](=O)[O-] ZINC000783249760 647701173 /nfs/dbraw/zinc/70/11/73/647701173.db2.gz NRBGRHBKZHOEFT-UHFFFAOYSA-N 1 2 293.254 2.178 20 5 CEBDLO