smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCN1CCC(Oc2cc(Cl)c([N+](=O)[O-])cn2)CC1 ZINC001226915799 779447090 /nfs/dbraw/zinc/44/70/90/779447090.db2.gz RCYJSDZAKNXPKA-UHFFFAOYSA-N 0 3 315.757 2.133 20 5 DEBDHN COC(=O)c1cccc2c1CCN([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169048432 785021002 /nfs/dbraw/zinc/02/10/02/785021002.db2.gz UZJZQJJUVGCJEC-JSGCOSHPSA-N 0 3 318.373 2.277 20 5 DEBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCOC[C@H]2Cc2ccccc2)C1 ZINC001169050403 785021454 /nfs/dbraw/zinc/02/14/54/785021454.db2.gz ZIJKYKCMARNDHW-BRWVUGGUSA-N 0 3 304.390 2.375 20 5 DEBDHN CCN1C[C@@H]2C[C@H]1CN2[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170355408 786917866 /nfs/dbraw/zinc/91/78/66/786917866.db2.gz DGDDGRSKCCZWTE-QEJZJMRPSA-N 0 3 319.405 2.313 20 5 DEBDHN CCOC(=O)C1=C(Nc2cccc(C)c2[N+](=O)[O-])CCNC1 ZINC001170514852 787476025 /nfs/dbraw/zinc/47/60/25/787476025.db2.gz APKRHOKJORYGOM-UHFFFAOYSA-N 0 3 305.334 2.126 20 5 DEBDHN CCN(C)C(C)(C)C(=O)N(C)CCNc1ccccc1[N+](=O)[O-] ZINC001101829351 793399733 /nfs/dbraw/zinc/39/97/33/793399733.db2.gz JVQDWXAENTXIRF-UHFFFAOYSA-N 0 3 322.409 2.195 20 5 DEBDHN O=C(N[C@@]12CCN(C1)CCC2)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001175053669 794129179 /nfs/dbraw/zinc/12/91/79/794129179.db2.gz HYSJOOLTBUZXFR-INIZCTEOSA-N 0 3 314.345 2.044 20 5 DEBDHN CCCN1CC[C@H](NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])C1 ZINC001118735726 795220886 /nfs/dbraw/zinc/22/08/86/795220886.db2.gz MGTOACHRZBBVHZ-LBPRGKRZSA-N 0 3 309.341 2.256 20 5 DEBDHN O=c1[n-]ccc(N[C@H]2CC[N@H+](CC3CCCC3)C2)c1[N+](=O)[O-] ZINC001185565398 796282866 /nfs/dbraw/zinc/28/28/66/796282866.db2.gz PWHBAHFFJVQDRT-LBPRGKRZSA-N 0 3 306.366 2.372 20 5 DEBDHN O=c1[n-]ccc(N[C@H]2CC[N@@H+](CC3CCCC3)C2)c1[N+](=O)[O-] ZINC001185565398 796282870 /nfs/dbraw/zinc/28/28/70/796282870.db2.gz PWHBAHFFJVQDRT-LBPRGKRZSA-N 0 3 306.366 2.372 20 5 DEBDHN CC(C)N1CCN(c2ncnc3cccc([N+](=O)[O-])c32)C[C@H]1C ZINC001165201882 799672534 /nfs/dbraw/zinc/67/25/34/799672534.db2.gz ROCOYKYZSYETED-GFCCVEGCSA-N 0 3 315.377 2.457 20 5 DEBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])C1(CF)CCC1 ZINC001166973966 799994985 /nfs/dbraw/zinc/99/49/85/799994985.db2.gz ANYFGWPEQQXPGV-UHFFFAOYSA-N 0 3 323.368 2.331 20 5 DEBDHN CC(C)N1CCC[C@H]1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000933623512 800140581 /nfs/dbraw/zinc/14/05/81/800140581.db2.gz NEEKUNFMKYOHAL-HNNXBMFYSA-N 0 3 305.378 2.126 20 5 DEBDHN O=C(CN[C@H]1CCOC12CCCC2)Nc1ccccc1[N+](=O)[O-] ZINC000934391381 800341857 /nfs/dbraw/zinc/34/18/57/800341857.db2.gz LISZUZYFGTUMKO-AWEZNQCLSA-N 0 3 319.361 2.225 20 5 DEBDHN COCCC[NH+]1CCC(Oc2c([O-])cccc2[N+](=O)[O-])CC1 ZINC001226339143 803094034 /nfs/dbraw/zinc/09/40/34/803094034.db2.gz FLHUSTGEPWTJCN-UHFFFAOYSA-N 0 3 310.350 2.180 20 5 DEBDHN COc1cc([C@H](C)N[C@H](CCO)CSC)cc([N+](=O)[O-])c1 ZINC001334754972 1150339702 /nfs/dbraw/zinc/33/97/02/1150339702.db2.gz IOFFBWHLWJBIJD-CMPLNLGQSA-N 0 3 314.407 2.368 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCC1(C)OCCO1 ZINC001461427951 1058656720 /nfs/dbraw/zinc/65/67/20/1058656720.db2.gz MMCPRGNZIXHTLR-UHFFFAOYSA-N 0 3 310.350 2.236 20 5 DEBDHN COC(=O)N1CCC[C@@H](NCc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC001473974510 1060782709 /nfs/dbraw/zinc/78/27/09/1060782709.db2.gz IUHRSWUZOCQBAR-CYBMUJFWSA-N 0 3 307.350 2.224 20 5 DEBDHN COc1cc(C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])cc1[O-] ZINC001474099122 1060814753 /nfs/dbraw/zinc/81/47/53/1060814753.db2.gz CZBPWHPZOKAQFW-PEGIJTEDSA-N 0 3 310.350 2.355 20 5 DEBDHN C[C@H]1OC(C)(C)N[C@H]1CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC001576911379 1066720208 /nfs/dbraw/zinc/72/02/08/1066720208.db2.gz ZIFJPGJAPBAFQI-BDAKNGLRSA-N 0 3 310.310 2.028 20 5 DEBDHN COc1ccc(OC(=O)c2ccc3c(c2)CNC3)cc1[N+](=O)[O-] ZINC001579230464 1067265064 /nfs/dbraw/zinc/26/50/64/1067265064.db2.gz MSZFFKAKCMXHGG-UHFFFAOYSA-N 0 3 314.297 2.426 20 5 DEBDHN Cn1cc([N+](=O)[O-])c(N2CCN(CC3CCCCC3)CC2)n1 ZINC001642161406 1078743143 /nfs/dbraw/zinc/74/31/43/1078743143.db2.gz QKNQLFJCQXBFBW-UHFFFAOYSA-N 0 3 307.398 2.031 20 5 DEBDHN C[C@H]1Cc2n[nH]cc2CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001644507272 1078849290 /nfs/dbraw/zinc/84/92/90/1078849290.db2.gz FZSKGQISHUSADM-ZBEGNZNMSA-N 0 3 316.361 2.046 20 5 DEBDHN C[C@@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccnn1C ZINC001648091898 1074986859 /nfs/dbraw/zinc/98/68/59/1074986859.db2.gz HFCVCQVMKUDEFE-LLVKDONJSA-N 0 3 317.349 2.008 20 5 DEBDHN CC[C@H]1CC[N@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001590515199 1076646815 /nfs/dbraw/zinc/64/68/15/1076646815.db2.gz ZDJOYTYDSYMMKU-JTQLQIEISA-N 0 3 302.338 2.007 20 5 DEBDHN CC[C@H]1CC[N@@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001590515199 1076646817 /nfs/dbraw/zinc/64/68/17/1076646817.db2.gz ZDJOYTYDSYMMKU-JTQLQIEISA-N 0 3 302.338 2.007 20 5 DEBDHN CC[C@H]1CC[N@H+](Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001590515199 1076646819 /nfs/dbraw/zinc/64/68/19/1076646819.db2.gz ZDJOYTYDSYMMKU-JTQLQIEISA-N 0 3 302.338 2.007 20 5 DEBDHN CC[C@H]1CC[N@@H+](Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001590515199 1076646820 /nfs/dbraw/zinc/64/68/20/1076646820.db2.gz ZDJOYTYDSYMMKU-JTQLQIEISA-N 0 3 302.338 2.007 20 5 DEBDHN C[N@@H+](Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C[C@H]1CC1(C)C ZINC001591126442 1076709313 /nfs/dbraw/zinc/70/93/13/1076709313.db2.gz WARYWMRKSWQXMB-SNVBAGLBSA-N 0 3 316.365 2.253 20 5 DEBDHN C[N@H+](Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C[C@H]1CC1(C)C ZINC001591126442 1076709315 /nfs/dbraw/zinc/70/93/15/1076709315.db2.gz WARYWMRKSWQXMB-SNVBAGLBSA-N 0 3 316.365 2.253 20 5 DEBDHN C[N@@H+](Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C[C@H]1CC1(C)C ZINC001591126442 1076709316 /nfs/dbraw/zinc/70/93/16/1076709316.db2.gz WARYWMRKSWQXMB-SNVBAGLBSA-N 0 3 316.365 2.253 20 5 DEBDHN C[N@H+](Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C[C@H]1CC1(C)C ZINC001591126442 1076709317 /nfs/dbraw/zinc/70/93/17/1076709317.db2.gz WARYWMRKSWQXMB-SNVBAGLBSA-N 0 3 316.365 2.253 20 5 DEBDHN CN1C[C@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC001597314996 1077092372 /nfs/dbraw/zinc/09/23/72/1077092372.db2.gz WFDISTIYOXCNQH-AWEZNQCLSA-N 0 3 319.405 2.329 20 5 DEBDHN COc1ccc(CN2C[C@@H]3C[C@H](O)CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC001659411767 1080239169 /nfs/dbraw/zinc/23/91/69/1080239169.db2.gz CNEVUCYHUAAWHC-HZSPNIEDSA-N 0 3 306.362 2.196 20 5 DEBDHN Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H]2N(C)CCCC2(C)C)n1 ZINC001128652767 1086315334 /nfs/dbraw/zinc/31/53/34/1086315334.db2.gz QFRUSVQUDYGAJT-AWEZNQCLSA-N 0 3 320.393 2.148 20 5 DEBDHN C[C@H]1COC[C@@H]1NCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000710869105 1086689560 /nfs/dbraw/zinc/68/95/60/1086689560.db2.gz KHFPWGWTIRJYMQ-KWQFWETISA-N 0 3 315.167 2.482 20 5 DEBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCNC[C@@H]1C(F)(F)F ZINC001246985762 1141218617 /nfs/dbraw/zinc/21/86/17/1141218617.db2.gz BVNBEGCMZWRTTG-ZWNOBZJWSA-N 0 3 317.311 2.362 20 5 DEBDHN O=[N+]([O-])c1ccc(N2CCC(N(C3CC3)C3COC3)CC2)cc1 ZINC001254480227 1143135617 /nfs/dbraw/zinc/13/56/17/1143135617.db2.gz YSRAZOHMVRJUIM-UHFFFAOYSA-N 0 3 317.389 2.427 20 5 DEBDHN COCCCN1CCN([C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254559999 1143247529 /nfs/dbraw/zinc/24/75/29/1143247529.db2.gz OMANHDUKAVSLCK-HNNXBMFYSA-N 0 3 321.421 2.180 20 5 DEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC2(CNC(=O)O2)CC1 ZINC001254560279 1143247983 /nfs/dbraw/zinc/24/79/83/1143247983.db2.gz RHJZNSHNDRDCDN-LBPRGKRZSA-N 0 3 319.361 2.100 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC(N3CCCCC3)C1)C2 ZINC001254602682 1143277358 /nfs/dbraw/zinc/27/73/58/1143277358.db2.gz IJNXSZHCJZNPMQ-MRXNPFEDSA-N 0 3 301.390 2.232 20 5 DEBDHN C[C@@H]1[C@H](C)NC[C@H](C)N1C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001341031424 1143526587 /nfs/dbraw/zinc/52/65/87/1143526587.db2.gz WUQLOVJBKYGUKI-SDDRHHMPSA-N 0 3 323.368 2.264 20 5 DEBDHN O=C(CCCF)NC[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001264400219 1144529418 /nfs/dbraw/zinc/52/94/18/1144529418.db2.gz VRNRQVBCLLSWLV-XBXGTLAGSA-N 0 3 323.368 2.329 20 5 DEBDHN N[C@@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC001327090962 1148322593 /nfs/dbraw/zinc/32/25/93/1148322593.db2.gz XSYAVLBWLYNKAM-OAHLLOKOSA-N 0 3 320.393 2.031 20 5 DEBDHN N[C@H](C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)C1CCCCC1 ZINC001327121017 1148330706 /nfs/dbraw/zinc/33/07/06/1148330706.db2.gz MSMQEDCRLSBZIL-HNNXBMFYSA-N 0 3 303.362 2.345 20 5 DEBDHN CCOC1CC(O)(CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000278422319 214142972 /nfs/dbraw/zinc/14/29/72/214142972.db2.gz IRBJVUQYYARXOD-FUJMWEONSA-N 0 3 308.378 2.484 20 5 DEBDHN O=C(CCCNCc1ccc([N+](=O)[O-])cc1Cl)NC1CC1 ZINC000092988353 185351016 /nfs/dbraw/zinc/35/10/16/185351016.db2.gz NABQNNIQFYSXEQ-UHFFFAOYSA-N 0 3 311.769 2.397 20 5 DEBDHN C[C@@H]1C[C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000330906723 232152660 /nfs/dbraw/zinc/15/26/60/232152660.db2.gz NFXUMJFEMXNCBJ-VXGBXAGGSA-N 0 3 323.418 2.286 20 5 DEBDHN C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000287081339 219301133 /nfs/dbraw/zinc/30/11/33/219301133.db2.gz KNYLQUWNWUZWAE-ABAIWWIYSA-N 0 3 321.352 2.433 20 5 DEBDHN CN1CCC[C@H](CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000149237093 186048639 /nfs/dbraw/zinc/04/86/39/186048639.db2.gz ZYLMVTLXZUWSCZ-SNVBAGLBSA-N 0 3 311.769 2.320 20 5 DEBDHN C[C@H]1C[C@@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])CCN1C ZINC000149462082 186050476 /nfs/dbraw/zinc/05/04/76/186050476.db2.gz RQRLFMAWYWNANW-UWVGGRQHSA-N 0 3 311.769 2.461 20 5 DEBDHN COc1ccc(CN[C@@H](CO)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000152686537 186097061 /nfs/dbraw/zinc/09/70/61/186097061.db2.gz QQLSQPSFYLLVGC-OAHLLOKOSA-N 0 3 316.357 2.297 20 5 DEBDHN Cc1cc(C(=O)N2CC[C@@H](N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000171451523 186161766 /nfs/dbraw/zinc/16/17/66/186161766.db2.gz WIYHPINKKCPTJO-CQSZACIVSA-N 0 3 303.362 2.214 20 5 DEBDHN Cn1cnc(CCN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)n1 ZINC000433288854 282770526 /nfs/dbraw/zinc/77/05/26/282770526.db2.gz OMQMJACTLOJBTR-CQSZACIVSA-N 0 3 315.377 2.278 20 5 DEBDHN Cc1c(NC(=O)N2CC[C@@H](N3CC=CC3)C2)cccc1[N+](=O)[O-] ZINC000174474701 198339465 /nfs/dbraw/zinc/33/94/65/198339465.db2.gz ZPNXWHQTRRETTG-CYBMUJFWSA-N 0 3 316.361 2.381 20 5 DEBDHN COC1([C@@H](C)NCc2ccc(F)cc2[N+](=O)[O-])CCOCC1 ZINC000595544505 358479097 /nfs/dbraw/zinc/47/90/97/358479097.db2.gz AFEASYQUCOFXJE-LLVKDONJSA-N 0 3 312.341 2.408 20 5 DEBDHN C[C@H](CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)N(C)C ZINC000033093469 354156679 /nfs/dbraw/zinc/15/66/79/354156679.db2.gz DRYXYXCBNHOPOH-MNOVXSKESA-N 0 3 311.407 2.142 20 5 DEBDHN O=C(NCC1CC1)[C@@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000047981104 354336983 /nfs/dbraw/zinc/33/69/83/354336983.db2.gz JTLYPCBKFIJMJF-OAHLLOKOSA-N 0 3 317.389 2.333 20 5 DEBDHN C[C@H]1CCCN(C(C)(C)CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000053392397 354433243 /nfs/dbraw/zinc/43/32/43/354433243.db2.gz ABAFYQVRFCVYSF-NSHDSACASA-N 0 3 308.382 2.163 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2CCCN(C(C)C)CC2)c1 ZINC000068775586 354831341 /nfs/dbraw/zinc/83/13/41/354831341.db2.gz XFUOTPAVMBVZLH-UHFFFAOYSA-N 0 3 321.377 2.160 20 5 DEBDHN C[C@H](NCC1CCS(=O)(=O)CC1)c1ccccc1[N+](=O)[O-] ZINC000090882141 355569103 /nfs/dbraw/zinc/56/91/03/355569103.db2.gz VNCGVSLZYZPIQW-NSHDSACASA-N 0 3 312.391 2.070 20 5 DEBDHN CC[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1c(C)noc1C ZINC000182518126 356130699 /nfs/dbraw/zinc/13/06/99/356130699.db2.gz DERKVTNMJCKHPU-ZDUSSCGKSA-N 0 3 320.349 2.102 20 5 DEBDHN C[C@H](C(=O)N(C)[C@H]1CCCN(C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000184232082 356188642 /nfs/dbraw/zinc/18/86/42/356188642.db2.gz HBTVIMWUYOBBSK-AAEUAGOBSA-N 0 3 323.368 2.390 20 5 DEBDHN CN1CC[C@H]2OCCN(c3ccc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000284565068 283158878 /nfs/dbraw/zinc/15/88/78/283158878.db2.gz NUCDFAOURREROT-UONOGXRCSA-N 0 3 311.769 2.158 20 5 DEBDHN CC[C@@H](C)[C@H](N)C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000236923814 202074354 /nfs/dbraw/zinc/07/43/54/202074354.db2.gz PGXBGPAWLBLNHY-DOMZBBRYSA-N 0 3 322.409 2.195 20 5 DEBDHN C[C@H](C(=O)N[C@@H]1CCN(C)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000581114257 357132614 /nfs/dbraw/zinc/13/26/14/357132614.db2.gz KHEKSVXZVQYMBM-MBNYWOFBSA-N 0 3 305.378 2.297 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2[C@@H]3CC[C@H]2CCN(C)C3)c1 ZINC000581020269 357119077 /nfs/dbraw/zinc/11/90/77/357119077.db2.gz FXTXGLPPSFFZCK-QWHCGFSZSA-N 0 3 303.362 2.212 20 5 DEBDHN CN(C)C[C@@H](CO)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000589101394 357443131 /nfs/dbraw/zinc/44/31/31/357443131.db2.gz BSIMGPNCSXGKFY-ZETCQYMHSA-N 0 3 308.165 2.236 20 5 DEBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H](N2CCCC2)[C@@H]1C ZINC000588839480 357428356 /nfs/dbraw/zinc/42/83/56/357428356.db2.gz YNQPSQDOVKJCGB-WCQYABFASA-N 0 3 307.398 2.183 20 5 DEBDHN O=[N+]([O-])c1cccc(CN[C@@H]([C@H]2CCCO2)C2(CO)CCC2)c1 ZINC000589521374 357477948 /nfs/dbraw/zinc/47/79/48/357477948.db2.gz WZPVPZKYRAPRLR-CVEARBPZSA-N 0 3 320.389 2.395 20 5 DEBDHN COC(=O)[C@@H]1CCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1OC ZINC000590754031 357601408 /nfs/dbraw/zinc/60/14/08/357601408.db2.gz LYSAYVUQCRPGMY-OLZOCXBDSA-N 0 3 308.334 2.035 20 5 DEBDHN Cc1occc1CNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591727896 357754337 /nfs/dbraw/zinc/75/43/37/357754337.db2.gz FWNZOHDJWBKFDK-AWEZNQCLSA-N 0 3 306.318 2.026 20 5 DEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC2(C3CCC3)CC2)cc1 ZINC000593083769 358004976 /nfs/dbraw/zinc/00/49/76/358004976.db2.gz XNAHXKMRYCWKBR-UHFFFAOYSA-N 0 3 324.402 2.291 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCN1CCCCC1 ZINC000593882404 358163889 /nfs/dbraw/zinc/16/38/89/358163889.db2.gz FXMVWRVOZFMABR-UHFFFAOYSA-N 0 3 321.377 2.161 20 5 DEBDHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)c1ccc(F)cc1[N+](=O)[O-] ZINC000594195176 358220939 /nfs/dbraw/zinc/22/09/39/358220939.db2.gz CUAQIGDJEGZKNU-KGLIPLIRSA-N 0 3 321.352 2.481 20 5 DEBDHN O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594197142 358221804 /nfs/dbraw/zinc/22/18/04/358221804.db2.gz AHFSODDXVGKGLH-HOCLYGCPSA-N 0 3 317.389 2.270 20 5 DEBDHN CC[C@@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 ZINC000595765634 358543743 /nfs/dbraw/zinc/54/37/43/358543743.db2.gz NBCGTVOLILGNHW-SNVBAGLBSA-N 0 3 321.333 2.040 20 5 DEBDHN CC(C)[N@H+](C)CC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596086661 358607832 /nfs/dbraw/zinc/60/78/32/358607832.db2.gz VULQDAPEPTXSLZ-UHFFFAOYSA-N 0 3 308.382 2.252 20 5 DEBDHN CC(C)[N@@H+](C)CC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596086661 358607833 /nfs/dbraw/zinc/60/78/33/358607833.db2.gz VULQDAPEPTXSLZ-UHFFFAOYSA-N 0 3 308.382 2.252 20 5 DEBDHN C[NH+](C)CCc1ccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000596203258 358638878 /nfs/dbraw/zinc/63/88/78/358638878.db2.gz DBPSPZOJHQHWTJ-UHFFFAOYSA-N 0 3 316.361 2.412 20 5 DEBDHN CN(C)[C@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])c1cccs1 ZINC000596055555 358599646 /nfs/dbraw/zinc/59/96/46/358599646.db2.gz QQWDWWUDDSYYNO-SNVBAGLBSA-N 0 3 308.363 2.472 20 5 DEBDHN CCCN1CC[C@@H](Nc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000596517654 358705188 /nfs/dbraw/zinc/70/51/88/358705188.db2.gz QKVNIQUGOPAHSO-LLVKDONJSA-N 0 3 301.350 2.434 20 5 DEBDHN CN1CC[C@]2(C1)CCCN(C(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000597716130 358986332 /nfs/dbraw/zinc/98/63/32/358986332.db2.gz OAZWNYVFZFKFHV-INIZCTEOSA-N 0 3 303.362 2.153 20 5 DEBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000598265904 359142374 /nfs/dbraw/zinc/14/23/74/359142374.db2.gz VTKWNOGRKCBFLW-AWEZNQCLSA-N 0 3 319.405 2.374 20 5 DEBDHN CCCN1CC[C@@H](NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000598342816 359170903 /nfs/dbraw/zinc/17/09/03/359170903.db2.gz QJAVBMOQKYAGAR-GXTWGEPZSA-N 0 3 305.378 2.299 20 5 DEBDHN COC(=O)c1ccnc(N[C@@H](C)CN2CCCCC2)c1[N+](=O)[O-] ZINC000598590573 359253896 /nfs/dbraw/zinc/25/38/96/359253896.db2.gz OUJGEMKNOSTAOQ-NSHDSACASA-N 0 3 322.365 2.063 20 5 DEBDHN CC1(C)CC[C@@H](CO)N(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000598646185 359274824 /nfs/dbraw/zinc/27/48/24/359274824.db2.gz CPZCIKWABMREPS-AWEZNQCLSA-N 0 3 308.378 2.457 20 5 DEBDHN CCC[C@@H](NCCN1CC[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000599084622 359398724 /nfs/dbraw/zinc/39/87/24/359398724.db2.gz CRZWRKJCTNWFTI-HZPDHXFCSA-N 0 3 307.394 2.092 20 5 DEBDHN O=[N+]([O-])c1ccc(-c2ccc(CN(CCO)CCO)s2)cc1 ZINC000600179088 359677982 /nfs/dbraw/zinc/67/79/82/359677982.db2.gz HJORRBMAHVYQBT-UHFFFAOYSA-N 0 3 322.386 2.110 20 5 DEBDHN O=[N+]([O-])c1ccc2oc(CN[C@@H]3CCN(CC4CC4)C3)nc2c1 ZINC000602568069 360437290 /nfs/dbraw/zinc/43/72/90/360437290.db2.gz VUDKGAFQLJJLLP-GFCCVEGCSA-N 0 3 316.361 2.310 20 5 DEBDHN O=[N+]([O-])c1ccc(N2CCC(NCc3ccoc3)CC2)cn1 ZINC000602527866 360418877 /nfs/dbraw/zinc/41/88/77/360418877.db2.gz MURNDBSDYLTXPB-UHFFFAOYSA-N 0 3 302.334 2.341 20 5 DEBDHN CN(C)C1(CNCc2nc3cc([N+](=O)[O-])ccc3o2)CCC1 ZINC000602630012 360466423 /nfs/dbraw/zinc/46/64/23/360466423.db2.gz RVUOFXCUVSOKKG-UHFFFAOYSA-N 0 3 304.350 2.310 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)[C@@H](CCO)c1ccccc1 ZINC000602787476 360554406 /nfs/dbraw/zinc/55/44/06/360554406.db2.gz YTUHZCMWILNJPQ-HNNXBMFYSA-N 0 3 318.377 2.155 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@H](C)c1cnn(C(C)C)c1 ZINC000602808209 360565433 /nfs/dbraw/zinc/56/54/33/360565433.db2.gz DIBDCXJJMGAJLA-NSHDSACASA-N 0 3 306.370 2.228 20 5 DEBDHN CCCO[C@@H]1CCCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602774824 360546425 /nfs/dbraw/zinc/54/64/25/360546425.db2.gz BVZOSJKDEDJNSV-CQSZACIVSA-N 0 3 310.398 2.381 20 5 DEBDHN CCN1CCCC[C@H]1CNC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000609530597 361318200 /nfs/dbraw/zinc/31/82/00/361318200.db2.gz YUINYZXMIVBDLS-ZDUSSCGKSA-N 0 3 320.393 2.241 20 5 DEBDHN CC[C@H](CN1CCCC1)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000610240479 361371702 /nfs/dbraw/zinc/37/17/02/361371702.db2.gz DZKBQCSRGHVUFR-CQSZACIVSA-N 0 3 305.378 2.128 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NC1(CN(C)C)CCC1 ZINC000281469135 216323528 /nfs/dbraw/zinc/32/35/28/216323528.db2.gz UMUDAFGPMXXHMI-UHFFFAOYSA-N 0 3 322.365 2.209 20 5 DEBDHN COC[C@@H]1CCCN1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000610605245 361430579 /nfs/dbraw/zinc/43/05/79/361430579.db2.gz SKKZCNGJGZDMPE-LBPRGKRZSA-N 0 3 310.350 2.093 20 5 DEBDHN CN(C)C[C@H]1CCCN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611709759 361664313 /nfs/dbraw/zinc/66/43/13/361664313.db2.gz TYSWHYMHRTWMBI-GFCCVEGCSA-N 0 3 301.350 2.068 20 5 DEBDHN CCCN1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611700723 361660350 /nfs/dbraw/zinc/66/03/50/361660350.db2.gz DHHDNEJFRMVEAI-UHFFFAOYSA-N 0 3 301.350 2.070 20 5 DEBDHN CC[C@H]1CN(C)CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000619578956 363833057 /nfs/dbraw/zinc/83/30/57/363833057.db2.gz WNVHYSNSRYDFNG-AWEZNQCLSA-N 0 3 305.378 2.080 20 5 DEBDHN C[C@H]1[C@H](N2CCCC2)CCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000287299545 291306256 /nfs/dbraw/zinc/30/62/56/291306256.db2.gz UFFURRDCBOWWGE-SMDDNHRTSA-N 0 3 321.352 2.433 20 5 DEBDHN O=C(N[C@@H]1CCN(C2CCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000376615593 284055767 /nfs/dbraw/zinc/05/57/67/284055767.db2.gz CZSFVHHXAVMPDC-GFCCVEGCSA-N 0 3 303.362 2.342 20 5 DEBDHN CO[C@@H]1CCC[C@H]1N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000451632754 243236551 /nfs/dbraw/zinc/23/65/51/243236551.db2.gz PGOQLLPLCISDHP-UXIGCNINSA-N 0 3 321.377 2.387 20 5 DEBDHN C[C@@H](CCO)N(CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000093303003 193226534 /nfs/dbraw/zinc/22/65/34/193226534.db2.gz OACMZZYVSIOBJB-AWEZNQCLSA-N 0 3 318.377 2.064 20 5 DEBDHN C[C@H](NC[C@H]1CCCN1CCCO)c1cccc([N+](=O)[O-])c1 ZINC000453264073 245026931 /nfs/dbraw/zinc/02/69/31/245026931.db2.gz UPDDEVNGBXEHAH-XJKSGUPXSA-N 0 3 307.394 2.092 20 5 DEBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](N2CCCCC2)C1 ZINC000264611940 204027295 /nfs/dbraw/zinc/02/72/95/204027295.db2.gz PSZVOOYEEWWUPG-MRXNPFEDSA-N 0 3 317.389 2.224 20 5 DEBDHN CN(C)C1(CN(C)C(=O)NCc2cccc([N+](=O)[O-])c2)CCC1 ZINC000189747337 335022936 /nfs/dbraw/zinc/02/29/36/335022936.db2.gz UBKQCPLTQKLPFS-UHFFFAOYSA-N 0 3 320.393 2.221 20 5 DEBDHN C[C@@H](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C1=CCN(C)CC1 ZINC000492534509 249083858 /nfs/dbraw/zinc/08/38/58/249083858.db2.gz MYULFGRDJHLNES-DMTLFAOVSA-N 0 3 315.373 2.375 20 5 DEBDHN O=[N+]([O-])c1cn(CCCN2CCN(c3ccccc3)CC2)cn1 ZINC000285325540 218381498 /nfs/dbraw/zinc/38/14/98/218381498.db2.gz XUODIFNYWMEEQP-UHFFFAOYSA-N 0 3 315.377 2.004 20 5 DEBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)N(C)C ZINC000294236157 223921376 /nfs/dbraw/zinc/92/13/76/223921376.db2.gz VUQIDPDRGIUJQY-MRVPVSSYSA-N 0 3 319.283 2.294 20 5 DEBDHN O=[N+]([O-])c1cc(F)ccc1N1CCN(CC2CCOCC2)CC1 ZINC000265549823 285095905 /nfs/dbraw/zinc/09/59/05/285095905.db2.gz YRGZNMSDQXRJQF-UHFFFAOYSA-N 0 3 323.368 2.283 20 5 DEBDHN CCC1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000272897629 210288227 /nfs/dbraw/zinc/28/82/27/210288227.db2.gz CFMACJDUAHBYSM-CQSZACIVSA-N 0 3 308.378 2.457 20 5 DEBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC[C@@H]1CNCCO1 ZINC000157396183 197184818 /nfs/dbraw/zinc/18/48/18/197184818.db2.gz AYANTFWONSLVTH-VIFPVBQESA-N 0 3 305.256 2.014 20 5 DEBDHN C[C@H](O)CN(C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000156269067 197100184 /nfs/dbraw/zinc/10/01/84/197100184.db2.gz ZIDABSPVSQADPU-NSHDSACASA-N 0 3 305.334 2.105 20 5 DEBDHN O=[N+]([O-])c1ccc(Cl)c(CNCCN2CCCOCC2)c1 ZINC000289567500 221073138 /nfs/dbraw/zinc/07/31/38/221073138.db2.gz ZGWNMXQHEVCDPC-UHFFFAOYSA-N 0 3 313.785 2.060 20 5 DEBDHN CN(CCC(N)=O)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000289809314 221240782 /nfs/dbraw/zinc/24/07/82/221240782.db2.gz STOWIEMHHWJSCN-UHFFFAOYSA-N 0 3 303.318 2.162 20 5 DEBDHN CC[C@@H](C)N(C)Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000355600338 133036685 /nfs/dbraw/zinc/03/66/85/133036685.db2.gz FLAZLPVCVMIPFJ-LLVKDONJSA-N 0 3 310.350 2.377 20 5 DEBDHN COC(=O)COc1ccc(CN2CC[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000355733511 133044432 /nfs/dbraw/zinc/04/44/32/133044432.db2.gz LKKSXTHXIYQGFO-NEPJUHHUSA-N 0 3 322.361 2.377 20 5 DEBDHN CNC(=O)[C@@H]1CCC[C@H]1N[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000358267456 133132167 /nfs/dbraw/zinc/13/21/67/133132167.db2.gz PXWPCBGYEHISNZ-NJZAAPMLSA-N 0 3 305.378 2.469 20 5 DEBDHN Cc1cc(N2CC[C@@H](OCCN(C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000360070112 133160041 /nfs/dbraw/zinc/16/00/41/133160041.db2.gz GYHVMLARCNUIBP-GFCCVEGCSA-N 0 3 311.357 2.199 20 5 DEBDHN O=[N+]([O-])c1ccc(OCCN2CCC(CCCO)CC2)cc1 ZINC000360088620 133161052 /nfs/dbraw/zinc/16/10/52/133161052.db2.gz MUBPBLQDPZRLEV-UHFFFAOYSA-N 0 3 308.378 2.458 20 5 DEBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000362408289 133228830 /nfs/dbraw/zinc/22/88/30/133228830.db2.gz AIOIYTUCPWASJZ-LRDDRELGSA-N 0 3 303.362 2.258 20 5 DEBDHN C[C@H](N[C@H]1CCO[C@@H]1C1CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000377274302 133324928 /nfs/dbraw/zinc/32/49/28/133324928.db2.gz XUZVDNWMUJCARO-VZJVUDMVSA-N 0 3 319.361 2.079 20 5 DEBDHN COCc1cc([N+](=O)[O-])ccc1NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000373675406 133399830 /nfs/dbraw/zinc/39/98/30/133399830.db2.gz SCBWHUZSTZXPNC-HUUCEWRRSA-N 0 3 321.377 2.016 20 5 DEBDHN CC(C)(C)NC(=O)CCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563419885 292056255 /nfs/dbraw/zinc/05/62/55/292056255.db2.gz ZXALEZGGHAEKJM-CYBMUJFWSA-N 0 3 305.378 2.477 20 5 DEBDHN C[C@H]1C[C@H](C)CN(CCn2cc(Cl)cc([N+](=O)[O-])c2=O)C1 ZINC000563438240 292057160 /nfs/dbraw/zinc/05/71/60/292057160.db2.gz DRRVKDMZYKUAFR-QWRGUYRKSA-N 0 3 313.785 2.388 20 5 DEBDHN Cc1ccc(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000548826063 285802786 /nfs/dbraw/zinc/80/27/86/285802786.db2.gz IRUGAWDMYPUTJC-UHFFFAOYSA-N 0 3 314.345 2.417 20 5 DEBDHN Cc1ccc([C@@H](C)NCCN2CCOC[C@H]2C)cc1[N+](=O)[O-] ZINC000246825920 145115693 /nfs/dbraw/zinc/11/56/93/145115693.db2.gz AFQHGKTWZJDCJS-ZIAGYGMSSA-N 0 3 307.394 2.275 20 5 DEBDHN CN(C)CCOCCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000318372022 145367456 /nfs/dbraw/zinc/36/74/56/145367456.db2.gz FLEWBDCPTBZPPC-UHFFFAOYSA-N 0 3 304.350 2.133 20 5 DEBDHN CCCN(CCN(C)C)C(=O)c1ccc(NCC)c([N+](=O)[O-])c1 ZINC000321455096 145377244 /nfs/dbraw/zinc/37/72/44/145377244.db2.gz OIZWOJBFHBFNQR-UHFFFAOYSA-N 0 3 322.409 2.440 20 5 DEBDHN C[C@@H]1C[C@H]1N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000346280315 146053474 /nfs/dbraw/zinc/05/34/74/146053474.db2.gz VQDDYQJKMRRSRJ-WOSRLPQWSA-N 0 3 317.389 2.397 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCCN([C@@H](C)CO)CC1 ZINC000346639188 146115615 /nfs/dbraw/zinc/11/56/15/146115615.db2.gz JPGVTDFTQCDVFR-GJZGRUSLSA-N 0 3 321.421 2.353 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](C)[C@@H]1CCCOC1 ZINC000348143204 146223120 /nfs/dbraw/zinc/22/31/20/146223120.db2.gz HUTULJKAJPTOFT-QWHCGFSZSA-N 0 3 321.377 2.246 20 5 DEBDHN CN1CCC(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000073891467 401724154 /nfs/dbraw/zinc/72/41/54/401724154.db2.gz BVUAKRUHNJRFRY-UHFFFAOYSA-N 0 3 319.405 2.376 20 5 DEBDHN CO[C@H]1CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000076348121 401792754 /nfs/dbraw/zinc/79/27/54/401792754.db2.gz MSVIGXBRJZYCIP-LBPRGKRZSA-N 0 3 307.350 2.034 20 5 DEBDHN CC1(C)C[C@@H](NCc2ccc(C(N)=O)cc2[N+](=O)[O-])C(C)(C)O1 ZINC000132411563 401867022 /nfs/dbraw/zinc/86/70/22/401867022.db2.gz VAJRCMMLHKGKBO-CYBMUJFWSA-N 0 3 321.377 2.129 20 5 DEBDHN CC1CCN(CCNC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000087112953 401927987 /nfs/dbraw/zinc/92/79/87/401927987.db2.gz GEMBKZXKFYNXLH-UHFFFAOYSA-N 0 3 319.405 2.376 20 5 DEBDHN CN1CCC[C@@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000134884170 401918098 /nfs/dbraw/zinc/91/80/98/401918098.db2.gz ARQUNBZGBMMAGS-JTQLQIEISA-N 0 3 311.769 2.320 20 5 DEBDHN Cc1ccc(C(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000119551184 401958463 /nfs/dbraw/zinc/95/84/63/401958463.db2.gz ITIKPZVJACASPP-CABCVRRESA-N 0 3 317.389 2.460 20 5 DEBDHN CCCCOCCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000121316601 402027707 /nfs/dbraw/zinc/02/77/07/402027707.db2.gz UPHHMDFDQQCRGP-ZDUSSCGKSA-N 0 3 308.382 2.293 20 5 DEBDHN Cc1ccc([C@@H](C)N[C@H](C)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000121377015 402032342 /nfs/dbraw/zinc/03/23/42/402032342.db2.gz WVSOOGJQPBQCHQ-ZIAGYGMSSA-N 0 3 307.394 2.275 20 5 DEBDHN O=[N+]([O-])c1ccc(Cl)cc1CNCCSCCCO ZINC000152199684 402081711 /nfs/dbraw/zinc/08/17/11/402081711.db2.gz YNDPHYVHFXXEPH-UHFFFAOYSA-N 0 3 304.799 2.453 20 5 DEBDHN CN(CCCOc1ccc(F)cc1)CCn1ccc([N+](=O)[O-])n1 ZINC000176208667 402290571 /nfs/dbraw/zinc/29/05/71/402290571.db2.gz JFDSJNPTKVHNBW-UHFFFAOYSA-N 0 3 322.340 2.331 20 5 DEBDHN Cc1nc2n(n1)C[C@@H](N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000160415790 402345000 /nfs/dbraw/zinc/34/50/00/402345000.db2.gz GCMQWLNWZPOPKW-RISCZKNCSA-N 0 3 315.377 2.469 20 5 DEBDHN CC(C)C(=O)N1CCC(NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000236772110 402382097 /nfs/dbraw/zinc/38/20/97/402382097.db2.gz QSMCEMAYTLZCLV-UHFFFAOYSA-N 0 3 305.378 2.331 20 5 DEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1[N+](=O)[O-] ZINC000177791034 402436088 /nfs/dbraw/zinc/43/60/88/402436088.db2.gz VQIMXQQJXSXMOL-OLZOCXBDSA-N 0 3 303.362 2.294 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]3CN(C)CC[C@H]32)c1 ZINC000164092694 402460206 /nfs/dbraw/zinc/46/02/06/402460206.db2.gz ANNJSRYDJRTBHK-DZGCQCFKSA-N 0 3 317.389 2.460 20 5 DEBDHN CN(CCN(C)C1CC1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000186739254 402461411 /nfs/dbraw/zinc/46/14/11/402461411.db2.gz IKAJZQSEQIUNLQ-UHFFFAOYSA-N 0 3 311.769 2.414 20 5 DEBDHN Cc1c(C(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)cccc1[N+](=O)[O-] ZINC000164614076 402465554 /nfs/dbraw/zinc/46/55/54/402465554.db2.gz KASANQNTZZAJHL-BBRMVZONSA-N 0 3 317.389 2.460 20 5 DEBDHN CC[C@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)N(C)C ZINC000178423837 402496911 /nfs/dbraw/zinc/49/69/11/402496911.db2.gz GDJWTRZNWGMIOY-OAHLLOKOSA-N 0 3 307.394 2.374 20 5 DEBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000246166768 402514308 /nfs/dbraw/zinc/51/43/08/402514308.db2.gz FONLOPZDCFAQBT-SWLSCSKDSA-N 0 3 320.393 2.076 20 5 DEBDHN CC1(C)CC[C@@H](CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)O1 ZINC000248548943 402595885 /nfs/dbraw/zinc/59/58/85/402595885.db2.gz HBAUCXFFWSDFQD-OCCSQVGLSA-N 0 3 320.393 2.434 20 5 DEBDHN CN(CCOc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCC[C@@H]1O ZINC000181472090 402646495 /nfs/dbraw/zinc/64/64/95/402646495.db2.gz ATYBVBVNIDXPLO-BBRMVZONSA-N 0 3 308.378 2.457 20 5 DEBDHN Cc1cc(N2CCS(=O)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000181501803 402647292 /nfs/dbraw/zinc/64/72/92/402647292.db2.gz HJCVOEIOFPLCHM-UHFFFAOYSA-N 0 3 305.359 2.020 20 5 DEBDHN CN(C)CCN(C(=O)Nc1ccncc1[N+](=O)[O-])C1CCCC1 ZINC000183609002 402781167 /nfs/dbraw/zinc/78/11/67/402781167.db2.gz SWSUSGZBOUNKJV-UHFFFAOYSA-N 0 3 321.381 2.328 20 5 DEBDHN CCN1CCC[C@@H]1CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000175371362 402800741 /nfs/dbraw/zinc/80/07/41/402800741.db2.gz HDFKHUTYLPDPBP-CQSZACIVSA-N 0 3 320.393 2.221 20 5 DEBDHN CC1(C)C[C@@H](NC[C@@]2(O)CCOC2)c2cc([N+](=O)[O-])ccc21 ZINC000278597166 402868767 /nfs/dbraw/zinc/86/87/67/402868767.db2.gz AIYJGIBOAWYTGZ-ZBFHGGJFSA-N 0 3 306.362 2.058 20 5 DEBDHN COCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000264563180 402889647 /nfs/dbraw/zinc/88/96/47/402889647.db2.gz GADTYFIPJAMHKX-GFCCVEGCSA-N 0 3 316.361 2.276 20 5 DEBDHN CS[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1N(C)C ZINC000272102211 402897327 /nfs/dbraw/zinc/89/73/27/402897327.db2.gz ZXFRETNFRALCBO-UONOGXRCSA-N 0 3 313.398 2.211 20 5 DEBDHN CN(C[C@@H]1CCCN(C)C1)c1nc2sccn2c1[N+](=O)[O-] ZINC000265170624 402897923 /nfs/dbraw/zinc/89/79/23/402897923.db2.gz BFIABOBNXQVWMR-SNVBAGLBSA-N 0 3 309.395 2.082 20 5 DEBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000268095222 403048360 /nfs/dbraw/zinc/04/83/60/403048360.db2.gz CEZQVWYGWCVYPY-QMTHXVAHSA-N 0 3 304.350 2.199 20 5 DEBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000268143631 403053785 /nfs/dbraw/zinc/05/37/85/403053785.db2.gz DSJZPNIPQBSGPG-XXQHYGDVSA-N 0 3 315.373 2.207 20 5 DEBDHN COc1cc(N[C@@H](C)CCN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000274524126 403064177 /nfs/dbraw/zinc/06/41/77/403064177.db2.gz XECYNVDZMDQJEF-ZDUSSCGKSA-N 0 3 322.409 2.041 20 5 DEBDHN Cc1cc(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000268265013 403068343 /nfs/dbraw/zinc/06/83/43/403068343.db2.gz TYYVEOZPGJAINY-XHDPSFHLSA-N 0 3 303.362 2.116 20 5 DEBDHN CO[C@@H]1CCCC[C@H]1N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000275199151 403100547 /nfs/dbraw/zinc/10/05/47/403100547.db2.gz HPOKIXPGVLVRLZ-KCPJHIHWSA-N 0 3 321.377 2.469 20 5 DEBDHN CCN(CC)C(=O)C[C@@H](C)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000268828697 403118598 /nfs/dbraw/zinc/11/85/98/403118598.db2.gz NYCYWBYOOOORDR-GFCCVEGCSA-N 0 3 323.393 2.340 20 5 DEBDHN NC(=O)c1ccc(NC[C@H]2CCCCN2C2CC2)c([N+](=O)[O-])c1 ZINC000277449898 403218722 /nfs/dbraw/zinc/21/87/22/403218722.db2.gz NZSCNOOCPZCGTK-CYBMUJFWSA-N 0 3 318.377 2.123 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)N(C)C2CC2)c1 ZINC000283846258 403227964 /nfs/dbraw/zinc/22/79/64/403227964.db2.gz GWKWCDJWNOEEMP-LLVKDONJSA-N 0 3 321.377 2.206 20 5 DEBDHN O=C(N[C@H]1CCN(C2CC2)C1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342887258 403385884 /nfs/dbraw/zinc/38/58/84/403385884.db2.gz KMXBPFIRYBSBAC-JTQLQIEISA-N 0 3 314.345 2.043 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1CN[C@@H](C1CC1)C(C)(C)CO ZINC000339731170 403432728 /nfs/dbraw/zinc/43/27/28/403432728.db2.gz YCXIFDYSNCHYRJ-HNNXBMFYSA-N 0 3 308.378 2.490 20 5 DEBDHN Cc1c(CN2C[C@H](N3CCOCC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000286024267 403433183 /nfs/dbraw/zinc/43/31/83/403433183.db2.gz QBIRKGPGFBJNJF-XJKSGUPXSA-N 0 3 319.405 2.198 20 5 DEBDHN Cc1nn(C)c(NC[C@H](c2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000298691825 403440821 /nfs/dbraw/zinc/44/08/21/403440821.db2.gz GCDVVFWHXPWVIV-CYBMUJFWSA-N 0 3 303.366 2.352 20 5 DEBDHN CN1CC[C@H]2CCN(c3ncnc4sc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000286101766 403450034 /nfs/dbraw/zinc/45/00/34/403450034.db2.gz CYVJVFZOKYQNLN-GXSJLCMTSA-N 0 3 319.390 2.130 20 5 DEBDHN CCN1CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000286437726 403526481 /nfs/dbraw/zinc/52/64/81/403526481.db2.gz JDEQBTNBNXBXLO-CYBMUJFWSA-N 0 3 323.393 2.008 20 5 DEBDHN CC(C)[C@H]1CN(C)CCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332263600 403533623 /nfs/dbraw/zinc/53/36/23/403533623.db2.gz TZKNWBKDRKCMNP-OAHLLOKOSA-N 0 3 317.393 2.243 20 5 DEBDHN CCN1CCN(C[C@@H](C)CNc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000286359459 403508272 /nfs/dbraw/zinc/50/82/72/403508272.db2.gz LLROOLOGZBACQG-ZDUSSCGKSA-N 0 3 324.400 2.419 20 5 DEBDHN C[C@H]1C[C@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CCN1C ZINC000332225114 403521122 /nfs/dbraw/zinc/52/11/22/403521122.db2.gz BOSKUBGNNKNMOR-WDEREUQCSA-N 0 3 316.361 2.289 20 5 DEBDHN CCN1CCC(Nc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000301060503 403584813 /nfs/dbraw/zinc/58/48/13/403584813.db2.gz GIGAQTKTIHNJSG-UHFFFAOYSA-N 0 3 317.349 2.140 20 5 DEBDHN CN(CCN1CCCC1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000343459360 403598794 /nfs/dbraw/zinc/59/87/94/403598794.db2.gz FDLHBIORTYGNAS-UHFFFAOYSA-N 0 3 323.418 2.241 20 5 DEBDHN CCn1ccnc1[C@H]1OCC[C@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000343404753 403573728 /nfs/dbraw/zinc/57/37/28/403573728.db2.gz YZOVLGQWNULGPF-CABCVRRESA-N 0 3 316.361 2.431 20 5 DEBDHN CN(C)CCN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000301665565 403661836 /nfs/dbraw/zinc/66/18/36/403661836.db2.gz LNSDZWXJETZYGQ-UHFFFAOYSA-N 0 3 302.172 2.355 20 5 DEBDHN C[C@H](Nc1c([N+](=O)[O-])ncn1C)[C@@H](c1ccccc1)N(C)C ZINC000287838043 403676119 /nfs/dbraw/zinc/67/61/19/403676119.db2.gz RGIJONNCRRYKHH-AAEUAGOBSA-N 0 3 303.366 2.432 20 5 DEBDHN COCCCN(CCO)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000347375843 403685523 /nfs/dbraw/zinc/68/55/23/403685523.db2.gz KZEYKUKSPWZQIK-SDNWHVSQSA-N 0 3 308.378 2.329 20 5 DEBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000295118587 403765610 /nfs/dbraw/zinc/76/56/10/403765610.db2.gz MCBADTUPKFPQIZ-ZANVPECISA-N 0 3 323.780 2.461 20 5 DEBDHN Cc1cc(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000343822556 403745973 /nfs/dbraw/zinc/74/59/73/403745973.db2.gz GWSQSFHKBVDQKZ-SMDDNHRTSA-N 0 3 303.362 2.116 20 5 DEBDHN C[C@H](NC(=O)N[C@H]1CCN(C)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000341074642 403761924 /nfs/dbraw/zinc/76/19/24/403761924.db2.gz ZEPCXIPANJMDCE-OBJOEFQTSA-N 0 3 320.393 2.438 20 5 DEBDHN CCCN[C@@H](C)C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000295207579 403797015 /nfs/dbraw/zinc/79/70/15/403797015.db2.gz PTLCZODMUNPYPF-JTQLQIEISA-N 0 3 317.349 2.312 20 5 DEBDHN CO[C@@H]1CCCC[C@H]1NCC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000361762857 403850289 /nfs/dbraw/zinc/85/02/89/403850289.db2.gz CPMCMFQYMXOKIH-TZMCWYRMSA-N 0 3 321.377 2.389 20 5 DEBDHN O=C(N[C@@H]1CCN(C2CC2)C1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411618279 403914571 /nfs/dbraw/zinc/91/45/71/403914571.db2.gz LMCLKTKTGWODRK-UHOFOFEASA-N 0 3 315.373 2.051 20 5 DEBDHN C[C@H]1C[C@H](Nc2ncnc3sc([N+](=O)[O-])cc32)CCN1C ZINC000336846972 403921646 /nfs/dbraw/zinc/92/16/46/403921646.db2.gz CFUMWQLBCALUCD-DTWKUNHWSA-N 0 3 307.379 2.494 20 5 DEBDHN C[C@H]1C[C@@H](Nc2ncnc3sc([N+](=O)[O-])cc32)CCN1C ZINC000336846973 403921778 /nfs/dbraw/zinc/92/17/78/403921778.db2.gz CFUMWQLBCALUCD-IUCAKERBSA-N 0 3 307.379 2.494 20 5 DEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCSC2(CCC2)CC1 ZINC000411872582 404001005 /nfs/dbraw/zinc/00/10/05/404001005.db2.gz VQUZQSIYYBXHAF-UHFFFAOYSA-N 0 3 323.418 2.118 20 5 DEBDHN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@@H](N2CCCC2)C1 ZINC000344241531 404004176 /nfs/dbraw/zinc/00/41/76/404004176.db2.gz WTRBCJXNUHNAHA-CQSZACIVSA-N 0 3 321.352 2.434 20 5 DEBDHN C[C@H](NCc1c([N+](=O)[O-])ncn1C)[C@@H]1Oc2ccccc2[C@H]1C ZINC000348536071 404075805 /nfs/dbraw/zinc/07/58/05/404075805.db2.gz QTIQQRPXHWYLLZ-JRPNMDOOSA-N 0 3 316.361 2.371 20 5 DEBDHN CN(Cc1ccc([N+](=O)[O-])cc1)C(C)(C)CN1CCOCC1 ZINC000412086979 404122950 /nfs/dbraw/zinc/12/29/50/404122950.db2.gz GQRSKZDLTQFJMT-UHFFFAOYSA-N 0 3 307.394 2.137 20 5 DEBDHN CCC1(CC)CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000296178769 404129992 /nfs/dbraw/zinc/12/99/92/404129992.db2.gz NVUNJGCVKWLAPT-CQSZACIVSA-N 0 3 308.378 2.457 20 5 DEBDHN CCN1CCC[C@@H]1CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000296578374 404309136 /nfs/dbraw/zinc/30/91/36/404309136.db2.gz QXZXRUJXVJRTGP-LLVKDONJSA-N 0 3 317.349 2.140 20 5 DEBDHN CC1(C)CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]1C1CC1 ZINC000290785705 404310771 /nfs/dbraw/zinc/31/07/71/404310771.db2.gz NPYRDVBHRUUPJN-GDBMZVCRSA-N 0 3 320.389 2.455 20 5 DEBDHN CCc1cc(N2CCN(c3ncccc3[N+](=O)[O-])CC2)ccn1 ZINC000413339240 404424144 /nfs/dbraw/zinc/42/41/44/404424144.db2.gz UQAZWLPTELCYJJ-UHFFFAOYSA-N 0 3 313.361 2.274 20 5 DEBDHN O=C(NC1CCN(C2CCC2)CC1)c1csc([N+](=O)[O-])c1 ZINC000297205829 404499209 /nfs/dbraw/zinc/49/92/09/404499209.db2.gz PQMFKJAAIHDPOO-UHFFFAOYSA-N 0 3 309.391 2.403 20 5 DEBDHN CO[C@@H]([C@@H](C)N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000414178367 404536067 /nfs/dbraw/zinc/53/60/67/404536067.db2.gz JLCKOYPXZAOMGS-HFAKWTLXSA-N 0 3 321.377 2.325 20 5 DEBDHN CN(C)Cc1cnc(CNCCc2ccc([N+](=O)[O-])cc2)s1 ZINC000352749683 404593573 /nfs/dbraw/zinc/59/35/73/404593573.db2.gz NVNHVNZNPMCJGH-UHFFFAOYSA-N 0 3 320.418 2.445 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CSC[C@@H]1C ZINC000352813819 404642488 /nfs/dbraw/zinc/64/24/88/404642488.db2.gz CTJZZMYXISYWJL-GXFFZTMASA-N 0 3 309.391 2.183 20 5 DEBDHN C[C@H]1[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCCN1C ZINC000345287949 404659506 /nfs/dbraw/zinc/65/95/06/404659506.db2.gz IVNBCGYCOFXZLE-IINYFYTJSA-N 0 3 316.361 2.289 20 5 DEBDHN C[C@@H]1CN(c2ccccc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000374308702 404704214 /nfs/dbraw/zinc/70/42/14/404704214.db2.gz HCHSSGGAKURRTI-CABCVRRESA-N 0 3 318.421 2.057 20 5 DEBDHN COc1ccc(CNC[C@@H](N)c2ccccc2)cc1[N+](=O)[O-] ZINC000414827224 404742553 /nfs/dbraw/zinc/74/25/53/404742553.db2.gz GWCCFUDUNKTHNQ-CQSZACIVSA-N 0 3 301.346 2.393 20 5 DEBDHN COc1cc(CN2CCN(C)CC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000353433582 404829823 /nfs/dbraw/zinc/82/98/23/404829823.db2.gz GXGLFRBUBPPZPF-LBPRGKRZSA-N 0 3 323.393 2.138 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000415478694 404867670 /nfs/dbraw/zinc/86/76/70/404867670.db2.gz DHCBUJUAFRNCHS-VXGBXAGGSA-N 0 3 306.366 2.426 20 5 DEBDHN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCCN(C2CCCC2)CC1 ZINC000408207303 405137908 /nfs/dbraw/zinc/13/79/08/405137908.db2.gz WDIQTWHHXJJRHU-UHFFFAOYSA-N 0 3 306.366 2.013 20 5 DEBDHN C[C@@H](O)[C@@H](CO)NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000419807673 405266911 /nfs/dbraw/zinc/26/69/11/405266911.db2.gz ISVVKRCIDYASJX-ZWNOBZJWSA-N 0 3 322.386 2.155 20 5 DEBDHN CC(C)[C@@]1(CO)CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000368071540 405226178 /nfs/dbraw/zinc/22/61/78/405226178.db2.gz UVEKKNRAYPTASL-INIZCTEOSA-N 0 3 308.378 2.314 20 5 DEBDHN C[C@@H](NC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000454363504 405335892 /nfs/dbraw/zinc/33/58/92/405335892.db2.gz OKOBXSJPRGKIRH-OSAQELSMSA-N 0 3 318.377 2.001 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1CN1CCN(C)C[C@@H]1C(C)C ZINC000425482958 405297887 /nfs/dbraw/zinc/29/78/87/405297887.db2.gz RBNAAHDDKLJKCG-OAHLLOKOSA-N 0 3 307.394 2.375 20 5 DEBDHN C[C@@H](C(=O)NC1CCN(C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000577809738 405515667 /nfs/dbraw/zinc/51/56/67/405515667.db2.gz AXCDTFIXNJXAMT-GFCCVEGCSA-N 0 3 317.389 2.441 20 5 DEBDHN CCc1ccc(C(=O)N(C)C[C@@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000421705767 405598830 /nfs/dbraw/zinc/59/88/30/405598830.db2.gz SDRTUOXVMZPASH-AWEZNQCLSA-N 0 3 305.378 2.323 20 5 DEBDHN COc1cc(C(=O)NC(C)(C)CN2CCCC2)ccc1[N+](=O)[O-] ZINC000457037557 405666332 /nfs/dbraw/zinc/66/63/32/405666332.db2.gz BFSPTSAUVMPRAK-UHFFFAOYSA-N 0 3 321.377 2.208 20 5 DEBDHN CN(C)CC(C)(C)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000457224951 405759974 /nfs/dbraw/zinc/75/99/74/405759974.db2.gz RXWUOUOKCRBEHP-UHFFFAOYSA-N 0 3 311.407 2.143 20 5 DEBDHN CC(C)Oc1nc(N2CCN(C)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000583574837 405765216 /nfs/dbraw/zinc/76/52/16/405765216.db2.gz KTUPHDXPYZMJLN-LBPRGKRZSA-N 0 3 308.382 2.307 20 5 DEBDHN Cc1ccc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000584195299 405844063 /nfs/dbraw/zinc/84/40/63/405844063.db2.gz VQWVUXTZMLKCOF-HNNXBMFYSA-N 0 3 316.357 2.433 20 5 DEBDHN O=[N+]([O-])c1cccc2c1ccnc2NCCN1CCCOCC1 ZINC000450473741 405917407 /nfs/dbraw/zinc/91/74/07/405917407.db2.gz NXFHDOTUUUIUHG-UHFFFAOYSA-N 0 3 316.361 2.277 20 5 DEBDHN CC[C@@H]1CN(CCNCc2ccc(C)c([N+](=O)[O-])c2)CCO1 ZINC000487159177 406209845 /nfs/dbraw/zinc/20/98/45/406209845.db2.gz MZWDCTOLVWRUFB-OAHLLOKOSA-N 0 3 307.394 2.104 20 5 DEBDHN CC(C)[C@@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)CCN1C ZINC000487156996 406210493 /nfs/dbraw/zinc/21/04/93/406210493.db2.gz TVDHNRJCWJZDCA-AWEZNQCLSA-N 0 3 315.377 2.314 20 5 DEBDHN COc1ccc(CN2CCN(C)[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000487968619 406278207 /nfs/dbraw/zinc/27/82/07/406278207.db2.gz GCXQCBJCNPSWLR-HNNXBMFYSA-N 0 3 307.394 2.375 20 5 DEBDHN CN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)[C@@H]1CN2CCC1CC2 ZINC000491797851 406724695 /nfs/dbraw/zinc/72/46/95/406724695.db2.gz QDWHCXQZFMKGBZ-SQRWCISFSA-N 0 3 315.373 2.161 20 5 DEBDHN C[C@@H]1CCN(CCNC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000491922965 406779075 /nfs/dbraw/zinc/77/90/75/406779075.db2.gz BLGZXGYKRNAYNM-KTLBGCOUSA-N 0 3 321.352 2.205 20 5 DEBDHN C[C@@H]1C[C@@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])CCN1C ZINC000491915894 406776535 /nfs/dbraw/zinc/77/65/35/406776535.db2.gz QHBHXMUFDSQVHV-KHAURHHGSA-N 0 3 303.362 2.207 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCN(C)C2)c1 ZINC000555005903 406831245 /nfs/dbraw/zinc/83/12/45/406831245.db2.gz FUBPWOFWEQTAFN-LBPRGKRZSA-N 0 3 321.377 2.065 20 5 DEBDHN C[C@H](N[C@@H]1CCCN(CCCO)C1)c1cccc([N+](=O)[O-])c1 ZINC000297440032 227167611 /nfs/dbraw/zinc/16/76/11/227167611.db2.gz WBZRNBGGTRUSSB-DZGCQCFKSA-N 0 3 307.394 2.092 20 5 DEBDHN CCc1ccc(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000334059608 269013115 /nfs/dbraw/zinc/01/31/15/269013115.db2.gz AUSVFLOLGRMPIF-FZMZJTMJSA-N 0 3 305.378 2.370 20 5 DEBDHN C[C@@H](CC(N)=O)NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000432366708 274207317 /nfs/dbraw/zinc/20/73/17/274207317.db2.gz GQYDNJIJFCZSOF-JTQLQIEISA-N 0 3 303.318 2.208 20 5 DEBDHN O=C1[C@@H](N2CC[C@@H](C3CC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000344022120 275027943 /nfs/dbraw/zinc/02/79/43/275027943.db2.gz CVTNTBPRCSTVQE-CJNGLKHVSA-N 0 3 315.373 2.432 20 5 DEBDHN CCN(C)CCNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176009939 276070001 /nfs/dbraw/zinc/07/00/01/276070001.db2.gz CCUWFUSFFPKGQS-GFCCVEGCSA-N 0 3 308.382 2.215 20 5 DEBDHN C[C@@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000180714686 278281267 /nfs/dbraw/zinc/28/12/67/278281267.db2.gz YQYRUOQEVMJLJF-LBPRGKRZSA-N 0 3 320.393 2.027 20 5 DEBDHN C[C@@H](NC[C@@H]1COC2(CCOCC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000182342720 278352369 /nfs/dbraw/zinc/35/23/69/278352369.db2.gz SACSQXFJWZKJBB-IUODEOHRSA-N 0 3 322.361 2.168 20 5 DEBDHN C[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@@H](C)CN1 ZINC000272588494 278683224 /nfs/dbraw/zinc/68/32/24/278683224.db2.gz PFMYXZAHAXTOKG-ZJUUUORDSA-N 0 3 303.318 2.163 20 5 DEBDHN C[S@@](=O)C1(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000282436500 280178129 /nfs/dbraw/zinc/17/81/29/280178129.db2.gz UEYFLCUKEYPQSS-SPLOXXLWSA-N 0 3 308.403 2.473 20 5 DEBDHN CS[C@@H]1CN(C(=O)c2cccc(C)c2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000270467140 295648836 /nfs/dbraw/zinc/64/88/36/295648836.db2.gz LLEMBVKSHHLMKH-QWHCGFSZSA-N 0 3 323.418 2.021 20 5 DEBDHN Cc1ccnc(N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000488716013 302272410 /nfs/dbraw/zinc/27/24/10/302272410.db2.gz QICLWMJCLKPDAA-FPMFFAJLSA-N 0 3 304.394 2.465 20 5 DEBDHN COc1cc(CN[C@H]2CC[C@H](CO)CC2)c([N+](=O)[O-])cc1OC ZINC000295854622 533909027 /nfs/dbraw/zinc/90/90/27/533909027.db2.gz WPKDONDNHXBMQQ-AULYBMBSSA-N 0 3 324.377 2.253 20 5 DEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@@H](C)C(=O)NCCF ZINC000337280530 518442359 /nfs/dbraw/zinc/44/23/59/518442359.db2.gz HFHGSTWDLVIJMJ-OBIHZWKSSA-N 0 3 309.341 2.062 20 5 DEBDHN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C1(N)CCCC1 ZINC000237255517 523182127 /nfs/dbraw/zinc/18/21/27/523182127.db2.gz XLYDAENTUUZFPS-UHFFFAOYSA-N 0 3 311.769 2.478 20 5 DEBDHN CN(Cc1cccc([N+](=O)[O-])c1)CC(C)(C)CN1CCOCC1 ZINC000124302027 523318603 /nfs/dbraw/zinc/31/86/03/523318603.db2.gz KVKDOGOCZNMYPW-UHFFFAOYSA-N 0 3 321.421 2.385 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC(C)(C)CN(C)C)c1 ZINC000411100437 528611202 /nfs/dbraw/zinc/61/12/02/528611202.db2.gz OGLOCXAZNCWZRD-UHFFFAOYSA-N 0 3 309.366 2.064 20 5 DEBDHN CCN1CCC(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000411236241 528984417 /nfs/dbraw/zinc/98/44/17/528984417.db2.gz HNQHGGDLJMHVPD-JKSUJKDBSA-N 0 3 317.389 2.299 20 5 DEBDHN CC[C@H]1CN(CC)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000451734983 536142568 /nfs/dbraw/zinc/14/25/68/536142568.db2.gz XQIYRQJQQSBJFQ-AWEZNQCLSA-N 0 3 307.394 2.390 20 5 DEBDHN CN1CC[C@@H]2CCN(C(=O)/C=C\c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000492380762 536460303 /nfs/dbraw/zinc/46/03/03/536460303.db2.gz QTFFVQIRTNQXDQ-KRHNWMDASA-N 0 3 315.373 2.161 20 5 DEBDHN CN1CC[C@@H]2CCN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000374903742 536460631 /nfs/dbraw/zinc/46/06/31/536460631.db2.gz QTFFVQIRTNQXDQ-CKAOXQASSA-N 0 3 315.373 2.161 20 5 DEBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000246568794 536471469 /nfs/dbraw/zinc/47/14/69/536471469.db2.gz HPICAHDBVDQOIG-GOEBONIOSA-N 0 3 317.389 2.080 20 5 DEBDHN CN1C[C@@H]2CCCN(C(=O)/C=C\c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000493056419 536487291 /nfs/dbraw/zinc/48/72/91/536487291.db2.gz UEIZFDWAEJGCTC-HJYQMELSSA-N 0 3 315.373 2.161 20 5 DEBDHN CC(COC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])[N+](=O)[O-] ZINC000835455300 649923662 /nfs/dbraw/zinc/92/36/62/649923662.db2.gz NYWQXVBRBAYUKJ-LURJTMIESA-N 0 3 322.195 2.436 20 5 DEBDHN COc1c([O-])ccc(C[NH2+]C[C@H]2CCO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000893293698 625408578 /nfs/dbraw/zinc/40/85/78/625408578.db2.gz ASDAIXFRELEWLA-QWRGUYRKSA-N 0 3 310.350 2.214 20 5 DEBDHN CC(COC(=O)[C@H](c1c(F)cccc1Cl)N(C)C)[N+](=O)[O-] ZINC000813106184 623305661 /nfs/dbraw/zinc/30/56/61/623305661.db2.gz ABDNZSGLXOBGTN-PELKAZGASA-N 0 3 318.732 2.290 20 5 DEBDHN COc1c([O-])ccc(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000892145836 624795876 /nfs/dbraw/zinc/79/58/76/624795876.db2.gz SZDXZHZCEVZORA-YPMHNXCESA-N 0 3 322.361 2.167 20 5 DEBDHN COc1c([O-])ccc(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000892145836 624795878 /nfs/dbraw/zinc/79/58/78/624795878.db2.gz SZDXZHZCEVZORA-YPMHNXCESA-N 0 3 322.361 2.167 20 5 DEBDHN O=[N+]([O-])c1cc(F)ccc1CN[C@@H]1CCOC12CCOCC2 ZINC000934401335 624873591 /nfs/dbraw/zinc/87/35/91/624873591.db2.gz IFEGTPOPCKRQIH-CQSZACIVSA-N 0 3 310.325 2.162 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCOC12CCOCC2 ZINC000934402453 624873712 /nfs/dbraw/zinc/87/37/12/624873712.db2.gz LXEPWDFFVGOIRZ-OAHLLOKOSA-N 0 3 322.361 2.031 20 5 DEBDHN COc1c(O)ccc(CNC[C@@H](OC)C(C)(C)C)c1[N+](=O)[O-] ZINC000893087149 625101474 /nfs/dbraw/zinc/10/14/74/625101474.db2.gz WQCUMFDWODYYRN-GFCCVEGCSA-N 0 3 312.366 2.460 20 5 DEBDHN CN(CCOC(=O)c1ccc([N+](=O)[O-])o1)Cc1ccccc1 ZINC000837335543 650186989 /nfs/dbraw/zinc/18/69/89/650186989.db2.gz RRXDLJKEDURUKC-UHFFFAOYSA-N 0 3 304.302 2.477 20 5 DEBDHN Cc1nn(C)c(C(=O)OC[C@@H]2CCCCN2C(C)C)c1[N+](=O)[O-] ZINC000837465722 650201877 /nfs/dbraw/zinc/20/18/77/650201877.db2.gz RETKHSXJUVEROD-LBPRGKRZSA-N 0 3 324.381 2.056 20 5 DEBDHN COc1c(O)ccc(CNC[C@@](C)(OC)C2CC2)c1[N+](=O)[O-] ZINC000894563036 637106392 /nfs/dbraw/zinc/10/63/92/637106392.db2.gz AGULKXIUTOAOHJ-OAHLLOKOSA-N 0 3 310.350 2.214 20 5 DEBDHN COc1c([O-])ccc(C[NH2+]C[C@@](C)(OC)C2CC2)c1[N+](=O)[O-] ZINC000894563036 637106395 /nfs/dbraw/zinc/10/63/95/637106395.db2.gz AGULKXIUTOAOHJ-OAHLLOKOSA-N 0 3 310.350 2.214 20 5 DEBDHN Cc1cc(Cl)c(C(=O)N[C@@H]2CCN(C)[C@H]2C)cc1[N+](=O)[O-] ZINC000928431061 637165699 /nfs/dbraw/zinc/16/56/99/637165699.db2.gz BDCHDOQTOPKTQO-JOYOIKCWSA-N 0 3 311.769 2.379 20 5 DEBDHN COc1c([O-])ccc(C[NH2+]CCc2scnc2C)c1[N+](=O)[O-] ZINC000894705709 637174769 /nfs/dbraw/zinc/17/47/69/637174769.db2.gz HDXCSLMIDKQQRL-UHFFFAOYSA-N 0 3 323.374 2.406 20 5 DEBDHN CC[C@@H]1C[C@H]([NH2+]Cc2ccc([O-])c(OC)c2[N+](=O)[O-])CCO1 ZINC000894975605 637354710 /nfs/dbraw/zinc/35/47/10/637354710.db2.gz QFBFJYYWBFJJCL-VXGBXAGGSA-N 0 3 310.350 2.356 20 5 DEBDHN COCCN1CC[C@H](NCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000740006810 637770896 /nfs/dbraw/zinc/77/08/96/637770896.db2.gz OBYURSZHQUBZRL-ZDUSSCGKSA-N 0 3 313.785 2.059 20 5 DEBDHN O=[N+]([O-])c1ccc(N2CCN(CC3(O)CCCC3)CC2)cc1 ZINC000746493343 638348563 /nfs/dbraw/zinc/34/85/63/638348563.db2.gz JZCCVFCADCLIJU-UHFFFAOYSA-N 0 3 305.378 2.022 20 5 DEBDHN Cc1c([C@H](C)NC[C@@H](O)c2ccnn2C)cccc1[N+](=O)[O-] ZINC000927132968 641674075 /nfs/dbraw/zinc/67/40/75/641674075.db2.gz PKSKRRAPWPTZMB-XHDPSFHLSA-N 0 3 304.350 2.021 20 5 DEBDHN O=[N+]([O-])c1ccc(Cl)c(CN[C@H](CO)C2CCOCC2)c1 ZINC000782389038 642875803 /nfs/dbraw/zinc/87/58/03/642875803.db2.gz MFCUIKQOUSODCB-CQSZACIVSA-N 0 3 314.769 2.125 20 5 DEBDHN C[C@@H]1CN(CCNCc2ccc([N+](=O)[O-])c(Cl)c2)CCO1 ZINC000783624196 643028890 /nfs/dbraw/zinc/02/88/90/643028890.db2.gz ZQDQIQLJTSEGSY-LLVKDONJSA-N 0 3 313.785 2.059 20 5 DEBDHN CC[S@](=O)CCN[C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903096251 643254641 /nfs/dbraw/zinc/25/46/41/643254641.db2.gz BHKBXHKXHKJVQX-SBKAZYGRSA-N 0 3 300.380 2.023 20 5 DEBDHN COc1cc([C@@H](C)NCCO[C@@H]2CCOC2)cc([N+](=O)[O-])c1 ZINC000903225634 643288333 /nfs/dbraw/zinc/28/83/33/643288333.db2.gz HUWIHJUSYJGSIS-BXUZGUMPSA-N 0 3 310.350 2.060 20 5 DEBDHN CO[C@@H]1CCOC[C@H]1N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000903296274 643309615 /nfs/dbraw/zinc/30/96/15/643309615.db2.gz DGMXKBLDHCQRJQ-BZUAXINKSA-N 0 3 306.362 2.366 20 5 DEBDHN C[C@H](NC(=O)Cc1cccc(F)c1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000867306483 650837842 /nfs/dbraw/zinc/83/78/42/650837842.db2.gz MMAPYRNDWGVKLL-NSHDSACASA-N 0 3 321.352 2.043 20 5 DEBDHN O=[N+]([O-])c1cccc(CNC[C@@H](O)C[C@H](O)c2ccccc2)c1 ZINC000905065364 643785711 /nfs/dbraw/zinc/78/57/11/643785711.db2.gz IAXKUBHAWDDOMC-IRXDYDNUSA-N 0 3 316.357 2.169 20 5 DEBDHN CN1CC[C@@H](CNCC[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000905188696 643817993 /nfs/dbraw/zinc/81/79/93/643817993.db2.gz FSVWABZVYFZNFN-SMDDNHRTSA-N 0 3 315.776 2.338 20 5 DEBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCOC[C@H](C3CCC3)C2)cc1 ZINC000795288372 644547327 /nfs/dbraw/zinc/54/73/27/644547327.db2.gz KKXOLKARCJPCFW-NVXWUHKLSA-N 0 3 320.389 2.377 20 5 DEBDHN CCN1CCCN(C(=O)c2cccc([N+](=O)[O-])c2OC)[C@@H](C)C1 ZINC000910274106 645382587 /nfs/dbraw/zinc/38/25/87/645382587.db2.gz MVAUPXASRITBTH-LBPRGKRZSA-N 0 3 321.377 2.160 20 5 DEBDHN CC(COC(=O)c1cccc(NC(=O)c2ccco2)c1)[N+](=O)[O-] ZINC000813104535 646729799 /nfs/dbraw/zinc/72/97/99/646729799.db2.gz OEFZTPIVLGNSOL-JTQLQIEISA-N 0 3 318.285 2.354 20 5 DEBDHN Cc1ccc(-c2nc(C(=O)OCC(C)[N+](=O)[O-])cs2)n1C ZINC000813110075 646730447 /nfs/dbraw/zinc/73/04/47/646730447.db2.gz RVRIHIUKSJOUSJ-VIFPVBQESA-N 0 3 309.347 2.279 20 5 DEBDHN Cc1nn(-c2ccccc2)c(C)c1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813110121 646730761 /nfs/dbraw/zinc/73/07/61/646730761.db2.gz SSBAEHQJILKIEO-LLVKDONJSA-N 0 3 317.345 2.240 20 5 DEBDHN CSCc1nc2ccccc2n1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813112751 646731290 /nfs/dbraw/zinc/73/12/90/646731290.db2.gz KKVLTXZERXHFET-SNVBAGLBSA-N 0 3 323.374 2.108 20 5 DEBDHN CC(COC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1)[N+](=O)[O-] ZINC000813113777 646733094 /nfs/dbraw/zinc/73/30/94/646733094.db2.gz VNCLKYSSEKTJFQ-GIPNMCIBSA-N 0 3 306.318 2.103 20 5 DEBDHN CC(COC(=O)c1cnc(Oc2ccccc2)cn1)[N+](=O)[O-] ZINC000813114200 646733385 /nfs/dbraw/zinc/73/33/85/646733385.db2.gz NGPBBCLNIJLSMG-SNVBAGLBSA-N 0 3 303.274 2.091 20 5 DEBDHN CC(C)[C@@H]1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000815313146 647001134 /nfs/dbraw/zinc/00/11/34/647001134.db2.gz WPVBCJAUSQJGBE-CVEARBPZSA-N 0 3 308.378 2.375 20 5 DEBDHN CC(C)[C@H]1CN(C)CCN1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000153680026 647601682 /nfs/dbraw/zinc/60/16/82/647601682.db2.gz FQTBDOHZAMCZDJ-MRXNPFEDSA-N 0 3 317.393 2.174 20 5 DEBDHN CO[C@@H]1CC[C@H](N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000821354492 648042013 /nfs/dbraw/zinc/04/20/13/648042013.db2.gz GSJDJSOOKGNRLP-GOEBONIOSA-N 0 3 305.378 2.284 20 5 DEBDHN COC[C@@](C)(O)CCNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000824559210 648610765 /nfs/dbraw/zinc/61/07/65/648610765.db2.gz KWZZRXATQBRKQJ-ZDUSSCGKSA-N 0 3 302.758 2.125 20 5 DEBDHN CCN(C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000824840760 648660800 /nfs/dbraw/zinc/66/08/00/648660800.db2.gz DICZUXZAWWFUBG-HRCADAONSA-N 0 3 317.389 2.251 20 5 DEBDHN CC(COC(=O)[C@@]1(C(=O)OC(C)(C)C)CC=CCC1)[N+](=O)[O-] ZINC000845575353 651255986 /nfs/dbraw/zinc/25/59/86/651255986.db2.gz GZLAUISZTWSQFJ-IAQYHMDHSA-N 0 3 313.350 2.263 20 5 DEBDHN CC([C@@H](OC(=O)C1=CCOCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845878255 651291487 /nfs/dbraw/zinc/29/14/87/651291487.db2.gz RZHODDFNQOPSMH-QMTHXVAHSA-N 0 3 309.293 2.422 20 5 DEBDHN CCN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C)C1 ZINC000855364225 651684242 /nfs/dbraw/zinc/68/42/42/651684242.db2.gz ZJRDOTKDRLKIAH-WUKHSURWSA-N 0 3 303.362 2.161 20 5 DEBDHN CC(C)(COC(=O)C1CCN(Cc2ccccc2)CC1)[N+](=O)[O-] ZINC000851129388 652075274 /nfs/dbraw/zinc/07/52/74/652075274.db2.gz LVXRJUWXPUDXTF-UHFFFAOYSA-N 0 3 320.389 2.497 20 5 DEBDHN Cc1c(NC(=O)N2CC[C@@H]3CN(C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000929221811 693919133 /nfs/dbraw/zinc/91/91/33/693919133.db2.gz WMXYOIWBZCSQKZ-BXUZGUMPSA-N 0 3 304.350 2.071 20 5 DEBDHN COCC(COC)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000929748940 694019613 /nfs/dbraw/zinc/01/96/13/694019613.db2.gz LUTFHKRGHXMOAH-UHFFFAOYSA-N 0 3 324.377 2.099 20 5 DEBDHN CC[C@H](C[C@H](C)O)NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000865872668 687363532 /nfs/dbraw/zinc/36/35/32/687363532.db2.gz NYUIFCHRQVCELM-CMPLNLGQSA-N 0 3 310.350 2.005 20 5 DEBDHN CC(C)[C@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])CCN1C ZINC000866219504 687497901 /nfs/dbraw/zinc/49/79/01/687497901.db2.gz PZSFDCIMTZFZPC-GFCCVEGCSA-N 0 3 303.366 2.019 20 5 DEBDHN C[C@H]1C[C@@H](NC(=O)Cc2cccc(F)c2[N+](=O)[O-])CN1C1CC1 ZINC000866457602 687579768 /nfs/dbraw/zinc/57/97/68/687579768.db2.gz QXLVSNHFDXNXCW-CMPLNLGQSA-N 0 3 321.352 2.018 20 5 DEBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@]1(O)CCOC1 ZINC000872050431 688920003 /nfs/dbraw/zinc/92/00/03/688920003.db2.gz AJLWBGPAFYQEED-IINYFYTJSA-N 0 3 312.391 2.119 20 5 DEBDHN CCNC(=O)N1CC[C@H](NCc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000873078624 689155206 /nfs/dbraw/zinc/15/52/06/689155206.db2.gz PPBYGHBUBMZLIL-ZDUSSCGKSA-N 0 3 320.393 2.105 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@H]1CN(C2CC2)C(=O)O1 ZINC000873132788 689166486 /nfs/dbraw/zinc/16/64/86/689166486.db2.gz GLDMXTLAWJBRQS-ZDUSSCGKSA-N 0 3 319.361 2.284 20 5 DEBDHN COCC(C)(C)CC[NH2+]Cc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000873153371 689171903 /nfs/dbraw/zinc/17/19/03/689171903.db2.gz PFCBBRUVUPUKSD-UHFFFAOYSA-N 0 3 312.366 2.461 20 5 DEBDHN COc1cc(CNC[C@@H]2C[C@H]3CCC[C@@H]3O2)c([N+](=O)[O-])cc1O ZINC000873156887 689173233 /nfs/dbraw/zinc/17/32/33/689173233.db2.gz OJFFPFQXSKWMOU-GMXABZIVSA-N 0 3 322.361 2.356 20 5 DEBDHN C[C@@H]1CCCN1CCNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000877154235 690032103 /nfs/dbraw/zinc/03/21/03/690032103.db2.gz NSBXVKNFEJFJDS-LLVKDONJSA-N 0 3 304.350 2.310 20 5 DEBDHN C[C@@H](NC[C@H](O)CC1(O)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000878356768 690387661 /nfs/dbraw/zinc/38/76/61/690387661.db2.gz XVYBILGVZSUYGB-IUODEOHRSA-N 0 3 308.378 2.302 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@]2(CC2(F)F)C1 ZINC000878811278 690505160 /nfs/dbraw/zinc/50/51/60/690505160.db2.gz JMYKALRWRDCPFK-GFCCVEGCSA-N 0 3 300.309 2.221 20 5 DEBDHN C[C@](CO)(NC[C@H]1CC2(CCC2)CO1)c1cccc([N+](=O)[O-])c1 ZINC000879272204 690607803 /nfs/dbraw/zinc/60/78/03/690607803.db2.gz MFORFPLVTMTHJS-HZPDHXFCSA-N 0 3 320.389 2.351 20 5 DEBDHN C[C@H](NCCn1ccc([N+](=O)[O-])n1)c1cc2cnccc2o1 ZINC000879714061 690714176 /nfs/dbraw/zinc/71/41/76/690714176.db2.gz UJUDVJVLBAIKFS-JTQLQIEISA-N 0 3 301.306 2.283 20 5 DEBDHN O=[N+]([O-])c1ncccc1Cn1cc(CNC2CCCCC2)nn1 ZINC000887463041 692370028 /nfs/dbraw/zinc/37/00/28/692370028.db2.gz MXDHWAIAIGCUJJ-UHFFFAOYSA-N 0 3 316.365 2.052 20 5 DEBDHN CCCC(=O)N1C[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC001048645847 692665794 /nfs/dbraw/zinc/66/57/94/692665794.db2.gz BSMPZHRNBFMSBD-GASCZTMLSA-N 0 3 317.389 2.285 20 5 DEBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)CCN1CCCC1 ZINC001443241087 1182890392 /nfs/dbraw/zinc/89/03/92/1182890392.db2.gz TVNHFPIKVUVING-UHFFFAOYSA-N 0 3 321.377 2.161 20 5 DEBDHN O=C(CCc1ccoc1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001125483274 777057975 /nfs/dbraw/zinc/05/79/75/777057975.db2.gz BMUWUYOYTCKUQS-UHFFFAOYSA-N 0 3 317.345 2.026 20 5 DEBDHN NCc1cc(-c2ccncc2)nn1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168985053 784985812 /nfs/dbraw/zinc/98/58/12/784985812.db2.gz CLEWVLWCSKCZIJ-AAEUAGOBSA-N 0 3 301.350 2.022 20 5 DEBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC001169006711 785000313 /nfs/dbraw/zinc/00/03/13/785000313.db2.gz JCUOQSXIURJZHS-BBRMVZONSA-N 0 3 307.369 2.393 20 5 DEBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC001169006716 785000754 /nfs/dbraw/zinc/00/07/54/785000754.db2.gz JCUOQSXIURJZHS-XJKSGUPXSA-N 0 3 307.369 2.393 20 5 DEBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCN(Cc3ccccc3)CC2)C1 ZINC001169012686 785003425 /nfs/dbraw/zinc/00/34/25/785003425.db2.gz RPUOGTAYQHFTJG-IAGOWNOFSA-N 0 3 303.406 2.250 20 5 DEBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCOC[C@H]2Cc2ccccc2)C1 ZINC001169050405 785021049 /nfs/dbraw/zinc/02/10/49/785021049.db2.gz ZIJKYKCMARNDHW-IXDOHACOSA-N 0 3 304.390 2.375 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)NCc2ccnnc2)c1F ZINC001173180273 793619977 /nfs/dbraw/zinc/61/99/77/793619977.db2.gz UKOOGECPTICBOX-SNVBAGLBSA-N 0 3 320.324 2.253 20 5 DEBDHN Cc1nc(N2CCN(C3CCCC3)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC001120874897 795548845 /nfs/dbraw/zinc/54/88/45/795548845.db2.gz PCCUWUYGUJGIQS-NSHDSACASA-N 0 3 305.382 2.146 20 5 DEBDHN O=C(NCCCNCc1csc([N+](=O)[O-])c1)c1ccoc1 ZINC001154588501 797569284 /nfs/dbraw/zinc/56/92/84/797569284.db2.gz NWVOYPCBYXYGGQ-UHFFFAOYSA-N 0 3 309.347 2.159 20 5 DEBDHN COc1ccc([C@@H](C)NCCn2ccc([N+](=O)[O-])n2)c(OC)c1 ZINC001198686773 798380908 /nfs/dbraw/zinc/38/09/08/798380908.db2.gz XRPGTPNNTIPOKA-LLVKDONJSA-N 0 3 320.349 2.159 20 5 DEBDHN CN(C)/C=C/c1cc(Nc2ccc(CN)nc2)ncc1[N+](=O)[O-] ZINC001160402342 798683064 /nfs/dbraw/zinc/68/30/64/798683064.db2.gz POXJZVBZKSHRGN-AATRIKPKSA-N 0 3 314.349 2.119 20 5 DEBDHN Cc1cc2nc(O[C@H]3C[NH2+]CCC[C@@H]3F)[n-]c2cc1[N+](=O)[O-] ZINC001217980897 802127446 /nfs/dbraw/zinc/12/74/46/802127446.db2.gz NEMYHTGTWZZWRD-ZANVPECISA-N 0 3 308.313 2.248 20 5 DEBDHN Cc1cc2[n-]c(O[C@H]3C[NH2+]CCC[C@@H]3F)nc2cc1[N+](=O)[O-] ZINC001217980897 802127452 /nfs/dbraw/zinc/12/74/52/802127452.db2.gz NEMYHTGTWZZWRD-ZANVPECISA-N 0 3 308.313 2.248 20 5 DEBDHN COCCN1CCC(Oc2cc([N+](=O)[O-])c(F)cc2F)CC1 ZINC001226181292 803067054 /nfs/dbraw/zinc/06/70/54/803067054.db2.gz NUUGOKGLIQMIFB-UHFFFAOYSA-N 0 3 316.304 2.363 20 5 DEBDHN Cc1cc(NC(=O)N2CC[C@@H]3CN(C)C[C@@H]32)cc([N+](=O)[O-])c1 ZINC001344874920 1150848149 /nfs/dbraw/zinc/84/81/49/1150848149.db2.gz IWBVGHKETJVVAU-RISCZKNCSA-N 0 3 304.350 2.071 20 5 DEBDHN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCc2cnccc21 ZINC001458210506 1058050062 /nfs/dbraw/zinc/05/00/62/1058050062.db2.gz FVYWNYKBGDZABC-UHFFFAOYSA-N 0 3 319.342 2.088 20 5 DEBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCCC[C@@]23CCOC3)cc1 ZINC001460959292 1058553551 /nfs/dbraw/zinc/55/35/51/1058553551.db2.gz MRBLFLXXMWJJDK-CVEARBPZSA-N 0 3 306.362 2.273 20 5 DEBDHN CN1C[C@H](NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC001472029642 1060374794 /nfs/dbraw/zinc/37/47/94/1060374794.db2.gz SWMRPTFNVNYGNC-KKUMJFAQSA-N 0 3 317.389 2.155 20 5 DEBDHN CCOc1ccc(C(=O)N2C[C@@H](CC)N[C@@H](C)C2)cc1[N+](=O)[O-] ZINC001642249271 1078748197 /nfs/dbraw/zinc/74/81/97/1078748197.db2.gz BMTLURIGYNRTDI-WCQYABFASA-N 0 3 321.377 2.206 20 5 DEBDHN CC[C@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)[C@@H](CC)CN1 ZINC001573717882 1069077356 /nfs/dbraw/zinc/07/73/56/1069077356.db2.gz IGAWMINYEPBBAM-KBPBESRZSA-N 0 3 320.393 2.267 20 5 DEBDHN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC001644824094 1078863880 /nfs/dbraw/zinc/86/38/80/1078863880.db2.gz CJPHTDANIIVZPC-ZIAGYGMSSA-N 0 3 321.352 2.351 20 5 DEBDHN CC(C)[C@H]1CCC[N@@H+]1Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589509357 1076494448 /nfs/dbraw/zinc/49/44/48/1076494448.db2.gz PGNHYMYLQXRRID-CYBMUJFWSA-N 0 3 316.365 2.395 20 5 DEBDHN CC(C)[C@H]1CCC[N@H+]1Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589509357 1076494451 /nfs/dbraw/zinc/49/44/51/1076494451.db2.gz PGNHYMYLQXRRID-CYBMUJFWSA-N 0 3 316.365 2.395 20 5 DEBDHN CC(C)[C@H]1CCC[N@@H+]1Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589509357 1076494453 /nfs/dbraw/zinc/49/44/53/1076494453.db2.gz PGNHYMYLQXRRID-CYBMUJFWSA-N 0 3 316.365 2.395 20 5 DEBDHN CC(C)[C@H]1CCC[N@H+]1Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589509357 1076494457 /nfs/dbraw/zinc/49/44/57/1076494457.db2.gz PGNHYMYLQXRRID-CYBMUJFWSA-N 0 3 316.365 2.395 20 5 DEBDHN CC[C@H]1CCC[C@H]1[NH2+]Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590506381 1076643724 /nfs/dbraw/zinc/64/37/24/1076643724.db2.gz GALAVLNWBLQUIS-GXFFZTMASA-N 0 3 316.365 2.443 20 5 DEBDHN CC[C@H]1CCC[C@H]1[NH2+]Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590506381 1076643726 /nfs/dbraw/zinc/64/37/26/1076643726.db2.gz GALAVLNWBLQUIS-GXFFZTMASA-N 0 3 316.365 2.443 20 5 DEBDHN CCCN(C)CC(=O)NC/C=C/CNc1ccccc1[N+](=O)[O-] ZINC001107279692 1080705870 /nfs/dbraw/zinc/70/58/70/1080705870.db2.gz AHMITTLPQNKFCS-VOTSOKGWSA-N 0 3 320.393 2.021 20 5 DEBDHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1ccoc1 ZINC001663818219 1080821512 /nfs/dbraw/zinc/82/15/12/1080821512.db2.gz SDMXLDWQLKLBNN-UHFFFAOYSA-N 0 3 303.318 2.050 20 5 DEBDHN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(CCCC2CCCC2)C1 ZINC000950055680 1081259448 /nfs/dbraw/zinc/25/94/48/1081259448.db2.gz KVIUFXNDQMCFLE-HZPDHXFCSA-N 0 3 323.437 2.155 20 5 DEBDHN CS(=O)(=O)CCCCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000710343914 1086688808 /nfs/dbraw/zinc/68/88/08/1086688808.db2.gz JVXDSASJTSBFHQ-UHFFFAOYSA-N 0 3 320.798 2.163 20 5 DEBDHN O=[N+]([O-])c1cc(Cl)c(Cl)nc1-n1ncc2c1CCNC2 ZINC001165219480 1090082064 /nfs/dbraw/zinc/08/20/64/1090082064.db2.gz STMOVCOSKAVRRS-UHFFFAOYSA-N 0 3 314.132 2.128 20 5 DEBDHN Cc1cc(NC(=O)CCNCc2ccc([N+](=O)[O-])cc2)no1 ZINC001336223033 1142382227 /nfs/dbraw/zinc/38/22/27/1142382227.db2.gz AIJGPUDOKRRRMS-UHFFFAOYSA-N 0 3 304.306 2.010 20 5 DEBDHN C[C@@H](NC(=O)N1C[C@H](C)NC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC001336976827 1142645313 /nfs/dbraw/zinc/64/53/13/1142645313.db2.gz GQDZCYNPIKYZBT-QJPTWQEYSA-N 0 3 306.366 2.048 20 5 DEBDHN NC1=CN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC=C1 ZINC001254470009 1143129236 /nfs/dbraw/zinc/12/92/36/1143129236.db2.gz LWUZSPSZIIQTKH-UHFFFAOYSA-N 0 3 300.362 2.236 20 5 DEBDHN COCCn1cnc(CN[C@@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001254546345 1143243869 /nfs/dbraw/zinc/24/38/69/1143243869.db2.gz RMUWHYRXQFDILS-ZDUSSCGKSA-N 0 3 318.377 2.159 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CCN(CC3CC3)CC1)C2 ZINC001254600757 1143275362 /nfs/dbraw/zinc/27/53/62/1143275362.db2.gz RGSULYLCERNZLR-KRWDZBQOSA-N 0 3 301.390 2.090 20 5 DEBDHN C[C@@H]1NC[C@H](C)N(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])[C@H]1C ZINC001341031426 1143526194 /nfs/dbraw/zinc/52/61/94/1143526194.db2.gz WUQLOVJBKYGUKI-SRVKXCTJSA-N 0 3 323.368 2.264 20 5 DEBDHN Cn1nccc1N1CCC[C@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000278310137 214081603 /nfs/dbraw/zinc/08/16/03/214081603.db2.gz DZMRJKMQCSADCT-LBPRGKRZSA-N 0 3 321.406 2.148 20 5 DEBDHN CCSCC[C@@H](C)N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090559141 185303518 /nfs/dbraw/zinc/30/35/18/185303518.db2.gz YGZDOZYMPNSSAV-GFCCVEGCSA-N 0 3 313.423 2.220 20 5 DEBDHN CN1CC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)C2)C1 ZINC000292343363 529811703 /nfs/dbraw/zinc/81/17/03/529811703.db2.gz UZDJXDAXOBENFB-HNNXBMFYSA-N 0 3 323.780 2.416 20 5 DEBDHN CC(C)[C@H]1CN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CCN1 ZINC001353622184 1151842259 /nfs/dbraw/zinc/84/22/59/1151842259.db2.gz CVJRLLYFIKTVFU-HRCADAONSA-N 0 3 317.389 2.155 20 5 DEBDHN COC[C@H](CO)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000279649118 215032484 /nfs/dbraw/zinc/03/24/84/215032484.db2.gz DVOWWRPYTLXKQJ-LBPRGKRZSA-N 0 3 322.386 2.420 20 5 DEBDHN COC(=O)CC1(NCc2ccc(C)c([N+](=O)[O-])c2)CCOCC1 ZINC000152539020 186083429 /nfs/dbraw/zinc/08/34/29/186083429.db2.gz GDPVJKQJKZTWSU-UHFFFAOYSA-N 0 3 322.361 2.105 20 5 DEBDHN CN1CC[C@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000171968052 198018600 /nfs/dbraw/zinc/01/86/00/198018600.db2.gz BDLAUTLFYOIOIY-SNVBAGLBSA-N 0 3 319.386 2.491 20 5 DEBDHN CN(c1ncnc2sc([N+](=O)[O-])cc21)[C@@H]1CCCN(C)C1 ZINC000287228471 219394200 /nfs/dbraw/zinc/39/42/00/219394200.db2.gz JDKBSPMRKLYXBP-SECBINFHSA-N 0 3 307.379 2.130 20 5 DEBDHN Cc1noc(CN2CCN(C)C3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000595511862 358470606 /nfs/dbraw/zinc/47/06/06/358470606.db2.gz TVDXLAKEXUUZEH-UHFFFAOYSA-N 0 3 308.382 2.342 20 5 DEBDHN CC(C)(C)OCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072664909 191212274 /nfs/dbraw/zinc/21/22/74/191212274.db2.gz SADWUTFCHBHMGT-GFCCVEGCSA-N 0 3 308.382 2.291 20 5 DEBDHN CCc1ccc(C(=O)NC[C@@H](C)N(C)C2CC2)cc1[N+](=O)[O-] ZINC000174179046 198301334 /nfs/dbraw/zinc/30/13/34/198301334.db2.gz HQLDPZFHXZESMM-LLVKDONJSA-N 0 3 305.378 2.370 20 5 DEBDHN COc1ccc(CNC[C@](C)(O)c2ccco2)cc1[N+](=O)[O-] ZINC000174527638 198346989 /nfs/dbraw/zinc/34/69/89/198346989.db2.gz LMDNAXCBJGTSLV-HNNXBMFYSA-N 0 3 306.318 2.194 20 5 DEBDHN COc1ccc(CN(C)CCn2cc([N+](=O)[O-])cn2)cc1C ZINC000174845639 198392633 /nfs/dbraw/zinc/39/26/33/198392633.db2.gz BTYMSXQCFWYESY-UHFFFAOYSA-N 0 3 304.350 2.240 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CN1CCCCC1 ZINC000024802827 354068075 /nfs/dbraw/zinc/06/80/75/354068075.db2.gz UKFTUKVSNYNVKI-LBPRGKRZSA-N 0 3 321.377 2.208 20 5 DEBDHN Cn1cnc([N+](=O)[O-])c1NCCCN1CCc2ccccc2C1 ZINC000046479003 354284048 /nfs/dbraw/zinc/28/40/48/354284048.db2.gz KYWHLCRTUZLMLH-UHFFFAOYSA-N 0 3 315.377 2.189 20 5 DEBDHN COc1cc(C(=O)N[C@H]2CCN(C)[C@H](C)C2)cc([N+](=O)[O-])c1C ZINC000334078420 283022809 /nfs/dbraw/zinc/02/28/09/283022809.db2.gz NBKHRLKFRIZMQI-MFKMUULPSA-N 0 3 321.377 2.124 20 5 DEBDHN CN(C[C@H]1CCCN(C)C1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087365616 355509035 /nfs/dbraw/zinc/50/90/35/355509035.db2.gz XOADAPMKVVXBNL-HNNXBMFYSA-N 0 3 319.405 2.328 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(NC[C@H](O)CN2CCC(C)CC2)c1 ZINC000088721729 355517897 /nfs/dbraw/zinc/51/78/97/355517897.db2.gz YEUVLNKZGUIAFA-AWEZNQCLSA-N 0 3 307.394 2.408 20 5 DEBDHN Cc1cc(C(=O)N[C@@H]2CCN(CC3CC3)C2)cc([N+](=O)[O-])c1 ZINC000108302905 355733136 /nfs/dbraw/zinc/73/31/36/355733136.db2.gz TXRJDHOXUURVPC-CQSZACIVSA-N 0 3 303.362 2.117 20 5 DEBDHN COCCO[C@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000179336192 356020949 /nfs/dbraw/zinc/02/09/49/356020949.db2.gz UCFTYLUPDUDNFB-INIZCTEOSA-N 0 3 324.377 2.101 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@H]2CCN(C)[C@H]2C1 ZINC000579801064 357031777 /nfs/dbraw/zinc/03/17/77/357031777.db2.gz ZNULWBBNPPRJJB-OCCSQVGLSA-N 0 3 318.377 2.379 20 5 DEBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000588823588 357427380 /nfs/dbraw/zinc/42/73/80/357427380.db2.gz JBUPUOVKUASIFY-OLZOCXBDSA-N 0 3 307.398 2.040 20 5 DEBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CCN(C2CC2)C[C@H](C)C1 ZINC000590703981 357587002 /nfs/dbraw/zinc/58/70/02/357587002.db2.gz ZORWRRUQJDFOCJ-NSHDSACASA-N 0 3 307.398 2.040 20 5 DEBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1NCC1(C)C ZINC000591672916 357749724 /nfs/dbraw/zinc/74/97/24/357749724.db2.gz SYQWELIWOFPDEZ-AWEZNQCLSA-N 0 3 305.378 2.330 20 5 DEBDHN Cc1nccn1CCCN(C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000179499773 199046299 /nfs/dbraw/zinc/04/62/99/199046299.db2.gz PDUVAELMCDYUHI-MRXNPFEDSA-N 0 3 318.377 2.155 20 5 DEBDHN CC1(CN[C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)OCCO1 ZINC000179568230 199056058 /nfs/dbraw/zinc/05/60/58/199056058.db2.gz UKMOGAMCZCCVEN-CQSZACIVSA-N 0 3 306.362 2.269 20 5 DEBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593075707 358002080 /nfs/dbraw/zinc/00/20/80/358002080.db2.gz RDWPMPYDUDZQNG-BXUZGUMPSA-N 0 3 323.368 2.075 20 5 DEBDHN CN(CC1CCN(C)CC1)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593453678 358082062 /nfs/dbraw/zinc/08/20/62/358082062.db2.gz KQHSUQVUDRYRNJ-UHFFFAOYSA-N 0 3 323.368 2.077 20 5 DEBDHN O=C(N[C@H]1CCCN2CCCC[C@H]12)c1cc(F)cc([N+](=O)[O-])c1 ZINC000594196806 358221535 /nfs/dbraw/zinc/22/15/35/358221535.db2.gz NGLKSHRKZBGKMT-LSDHHAIUSA-N 0 3 321.352 2.481 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H](C)CC[S@](C)=O ZINC000595029576 358380231 /nfs/dbraw/zinc/38/02/31/358380231.db2.gz WUTCCDDZLNGKKO-NNOLRYQLSA-N 0 3 314.407 2.411 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H](CO)C1CCOCC1 ZINC000595032231 358381439 /nfs/dbraw/zinc/38/14/39/358381439.db2.gz IVABTHSNUOUBBN-IAQYHMDHSA-N 0 3 324.377 2.042 20 5 DEBDHN CCN1C[C@H](CN[C@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1=O ZINC000595044566 358383014 /nfs/dbraw/zinc/38/30/14/358383014.db2.gz CDOQNTQAVORRSH-NEPJUHHUSA-N 0 3 321.377 2.122 20 5 DEBDHN O=[N+]([O-])c1ccn(CCN2CCC([C@H]3CCCCO3)CC2)n1 ZINC000595786826 358549481 /nfs/dbraw/zinc/54/94/81/358549481.db2.gz HTKXQEWLTUIMRM-CQSZACIVSA-N 0 3 308.382 2.072 20 5 DEBDHN Cc1cc(C(=O)N2CCC[C@]3(CCN(C)C3)C2)cc([N+](=O)[O-])c1 ZINC000597716213 358986198 /nfs/dbraw/zinc/98/61/98/358986198.db2.gz PPPMFKJWUXHAHU-QGZVFWFLSA-N 0 3 317.389 2.461 20 5 DEBDHN CCCN1CC[C@@H](NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000598342022 359169203 /nfs/dbraw/zinc/16/92/03/359169203.db2.gz JYKUGFXAXUEJAX-NWDGAFQWSA-N 0 3 323.368 2.438 20 5 DEBDHN CCCN1CC[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000598342524 359170734 /nfs/dbraw/zinc/17/07/34/359170734.db2.gz OGKYTJURZMPMLY-CQSZACIVSA-N 0 3 305.378 2.128 20 5 DEBDHN CC(C)[C@@H]1CN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CCN1 ZINC000598572085 359245885 /nfs/dbraw/zinc/24/58/85/359245885.db2.gz KVNHAJNGNYHEPC-ABAIWWIYSA-N 0 3 323.368 2.294 20 5 DEBDHN C[C@@H](NCCCCCS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000186862474 200023090 /nfs/dbraw/zinc/02/30/90/200023090.db2.gz XWCQHWKAZIQZEW-GFCCVEGCSA-N 0 3 314.407 2.460 20 5 DEBDHN CCN(C(=O)c1cc(C)cc([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000599985782 359629552 /nfs/dbraw/zinc/62/95/52/359629552.db2.gz ILXLYPLQFYVIDI-UHFFFAOYSA-N 0 3 305.378 2.460 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N(C)CC2(N(C)C)CCC2)c1 ZINC000187014823 200048145 /nfs/dbraw/zinc/04/81/45/200048145.db2.gz VSGHIBWAVAMFPJ-UHFFFAOYSA-N 0 3 305.378 2.460 20 5 DEBDHN CN(C/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CCC(=O)N(C)C1 ZINC000600179210 359678205 /nfs/dbraw/zinc/67/82/05/359678205.db2.gz VQMSVBZDSNAVNX-DYLGSBMWSA-N 0 3 303.362 2.161 20 5 DEBDHN CN[C@H](CO)c1cccc(-c2cc([N+](=O)[O-])ccc2CO)c1 ZINC000600782583 359827388 /nfs/dbraw/zinc/82/73/88/359827388.db2.gz NTWIZHHVCKFVJN-MRXNPFEDSA-N 0 3 302.330 2.007 20 5 DEBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H](CO)COC ZINC000281170336 216127087 /nfs/dbraw/zinc/12/70/87/216127087.db2.gz PTWROPDJWZQSHL-VXGBXAGGSA-N 0 3 314.407 2.062 20 5 DEBDHN CN(CC(=O)NCCc1cccc([N+](=O)[O-])c1)CC(C)(C)C ZINC000602131976 360278691 /nfs/dbraw/zinc/27/86/91/360278691.db2.gz NYXJZIYVFIXVGF-UHFFFAOYSA-N 0 3 307.394 2.231 20 5 DEBDHN O=[N+]([O-])c1ccccc1CCNCc1cc2c(cn1)OCCO2 ZINC000602556411 360430562 /nfs/dbraw/zinc/43/05/62/360430562.db2.gz FWRSHMFCHPTDJX-UHFFFAOYSA-N 0 3 315.329 2.093 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)[C@H](C)Cc1ccc(O)cc1 ZINC000602784606 360552772 /nfs/dbraw/zinc/55/27/72/360552772.db2.gz HUVIOQYKEHGSDL-GFCCVEGCSA-N 0 3 318.377 2.368 20 5 DEBDHN CC[C@H](NCCn1c(C)ncc1[N+](=O)[O-])c1c(C)noc1C ZINC000602810527 360566873 /nfs/dbraw/zinc/56/68/73/360566873.db2.gz MKVQSZMDPUAYOW-LBPRGKRZSA-N 0 3 307.354 2.445 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)n1cc(CCN(C)C)nn1 ZINC000603253020 360766564 /nfs/dbraw/zinc/76/65/64/360766564.db2.gz ZKRDBECYMLASSP-GFCCVEGCSA-N 0 3 303.366 2.208 20 5 DEBDHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000271988421 209364283 /nfs/dbraw/zinc/36/42/83/209364283.db2.gz PLMYQLWELMQGJA-LBPRGKRZSA-N 0 3 316.361 2.173 20 5 DEBDHN O=[N+]([O-])c1cccc(CN2CCCN(C[C@@H]3CCCO3)CC2)c1 ZINC000603848744 360864580 /nfs/dbraw/zinc/86/45/80/360864580.db2.gz SXUTVALFITXUJL-KRWDZBQOSA-N 0 3 319.405 2.282 20 5 DEBDHN Cc1c(C(=O)N[C@H]2CCN(CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000609383558 361307830 /nfs/dbraw/zinc/30/78/30/361307830.db2.gz UBFPIWYBTRHLJN-ZDUSSCGKSA-N 0 3 303.362 2.117 20 5 DEBDHN O=C(N[C@H]1CCN(CC2CC2)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000609383603 361308322 /nfs/dbraw/zinc/30/83/22/361308322.db2.gz WESQJTQKYQBEHT-LBPRGKRZSA-N 0 3 323.780 2.462 20 5 DEBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000609383520 361308654 /nfs/dbraw/zinc/30/86/54/361308654.db2.gz RTHWTPCSESQMBR-LLVKDONJSA-N 0 3 323.780 2.462 20 5 DEBDHN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@@H](N2CCCC2)C1 ZINC000609447373 361311869 /nfs/dbraw/zinc/31/18/69/361311869.db2.gz BPTFIJANRXBNOW-CYBMUJFWSA-N 0 3 307.325 2.044 20 5 DEBDHN Nc1c(F)c(N2CCC[C@H](N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000356178575 283652542 /nfs/dbraw/zinc/65/25/42/283652542.db2.gz YRXWUMQPHMGTFF-NSHDSACASA-N 0 3 308.357 2.381 20 5 DEBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1C[C@H]2CCC[C@@H]21 ZINC000610762484 361462301 /nfs/dbraw/zinc/46/23/01/361462301.db2.gz LHHNYNXQZPHQPR-YPMHNXCESA-N 0 3 317.345 2.377 20 5 DEBDHN CC[C@H](CN1CCCC1)NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000610970669 361502378 /nfs/dbraw/zinc/50/23/78/361502378.db2.gz MZDODTKZAMDKLF-OAHLLOKOSA-N 0 3 319.405 2.436 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(NC2CCN([C@H]3CCOC3)CC2)c1 ZINC000611165752 361538565 /nfs/dbraw/zinc/53/85/65/361538565.db2.gz INZGNJKNVGSKBK-ZDUSSCGKSA-N 0 3 321.377 2.269 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NCCN1CCC(C)CC1 ZINC000194406554 201220265 /nfs/dbraw/zinc/22/02/65/201220265.db2.gz MQXNCZMZTFEIQO-UHFFFAOYSA-N 0 3 305.378 2.365 20 5 DEBDHN CC[C@H](N[C@@H](C)[C@H]1CN(C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000611336952 361582086 /nfs/dbraw/zinc/58/20/86/361582086.db2.gz QLABYKHLPLYZCS-VBNZEHGJSA-N 0 3 307.394 2.355 20 5 DEBDHN C[C@@H]1COCCN1CCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447536208 239005681 /nfs/dbraw/zinc/00/56/81/239005681.db2.gz LRBCRWWMPNKRCB-DYVFJYSZSA-N 0 3 319.405 2.283 20 5 DEBDHN C[C@H]1[C@H](C)N(c2ncnc3ccc([N+](=O)[O-])cc32)CCN1C ZINC000611714725 361666180 /nfs/dbraw/zinc/66/61/80/361666180.db2.gz YPLDSGBDYVSQHN-QWRGUYRKSA-N 0 3 301.350 2.067 20 5 DEBDHN CC[C@H]1CN(C)CCCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000619567141 363827814 /nfs/dbraw/zinc/82/78/14/363827814.db2.gz UVMREEHPQOYAAR-AWEZNQCLSA-N 0 3 305.378 2.080 20 5 DEBDHN CC[C@H]1CN(C)CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000619567152 363828007 /nfs/dbraw/zinc/82/80/07/363828007.db2.gz WIOJWDSGBPQDQO-AWEZNQCLSA-N 0 3 305.378 2.460 20 5 DEBDHN COCC1(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CCC1 ZINC000619715507 363863635 /nfs/dbraw/zinc/86/36/35/363863635.db2.gz CGQWEGUDECYMNJ-UHFFFAOYSA-N 0 3 322.361 2.272 20 5 DEBDHN CO[C@@H]1CCCC[C@H]1N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000275298129 212257049 /nfs/dbraw/zinc/25/70/49/212257049.db2.gz ZECQDOOQHGRBPR-NJZAAPMLSA-N 0 3 321.377 2.469 20 5 DEBDHN O=C1CCCN1CCN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451542883 243087932 /nfs/dbraw/zinc/08/79/32/243087932.db2.gz ANYKVKWJQRPDHW-HNNXBMFYSA-N 0 3 317.389 2.397 20 5 DEBDHN C[C@H](CNc1ncc([N+](=O)[O-])cc1Br)N(C)C ZINC000093433913 193250266 /nfs/dbraw/zinc/25/02/66/193250266.db2.gz XCKRVWPUABPUMR-SSDOTTSWSA-N 0 3 303.160 2.114 20 5 DEBDHN CN(C)C[C@H]1CCCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000267446617 206072637 /nfs/dbraw/zinc/07/26/37/206072637.db2.gz DHOKHZGFVFQVKP-JOZWUWCOSA-N 0 3 303.362 2.161 20 5 DEBDHN CC[C@H](C(=O)NCCOc1ccc([N+](=O)[O-])cc1)N(CC)CC ZINC000531296151 284539573 /nfs/dbraw/zinc/53/95/73/284539573.db2.gz WQCIGGXIXUVHOL-OAHLLOKOSA-N 0 3 323.393 2.210 20 5 DEBDHN CN(C)CCSCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000157761430 291634172 /nfs/dbraw/zinc/63/41/72/291634172.db2.gz JBCNMCNPOPCJJZ-UHFFFAOYSA-N 0 3 308.363 2.440 20 5 DEBDHN CC(C)[C@H]1CN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CCN1C ZINC000493015636 249196807 /nfs/dbraw/zinc/19/68/07/249196807.db2.gz KLFNMPOSDCTXRA-HLRDLLSLSA-N 0 3 317.389 2.407 20 5 DEBDHN CN1CCC(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000273931253 211186468 /nfs/dbraw/zinc/18/64/68/211186468.db2.gz HXSPLNIEFGJSIZ-UHFFFAOYSA-N 0 3 323.368 2.222 20 5 DEBDHN COC[C@H](N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000284849128 218204940 /nfs/dbraw/zinc/20/49/40/218204940.db2.gz ABZDSIZUSAGERH-RIEGTJTDSA-N 0 3 309.366 2.022 20 5 DEBDHN CC[C@H]1CN(Cc2cccc([N+](=O)[O-])c2C)CCN1C[C@@H](C)O ZINC000106102114 194186025 /nfs/dbraw/zinc/18/60/25/194186025.db2.gz GQDUJYKHDCNJIO-CJNGLKHVSA-N 0 3 321.421 2.180 20 5 DEBDHN CCN1CCCC[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000110998375 194380218 /nfs/dbraw/zinc/38/02/18/194380218.db2.gz XLMOTRFFONKWTM-HNNXBMFYSA-N 0 3 305.378 2.128 20 5 DEBDHN CCN(CC1CC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000157925933 197227125 /nfs/dbraw/zinc/22/71/25/197227125.db2.gz XFBKWZHICGLCRY-HNNXBMFYSA-N 0 3 303.362 2.432 20 5 DEBDHN CCO[C@H]1C[C@H](N(C)CCn2ccc([N+](=O)[O-])n2)C12CCC2 ZINC000120952590 195271020 /nfs/dbraw/zinc/27/10/20/195271020.db2.gz LBYBLZVVBYOIMN-STQMWFEESA-N 0 3 308.382 2.071 20 5 DEBDHN Cc1cc(C(=O)NCCN2CCC[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000122038943 195393009 /nfs/dbraw/zinc/39/30/09/195393009.db2.gz JJSNVSQMZRBCIE-LBPRGKRZSA-N 0 3 305.378 2.365 20 5 DEBDHN COc1cccc(C(=O)N[C@H]2CCCN(C(C)C)C2)c1[N+](=O)[O-] ZINC000444366034 533418536 /nfs/dbraw/zinc/41/85/36/533418536.db2.gz VQTIETSPNQUCLO-LBPRGKRZSA-N 0 3 321.377 2.206 20 5 DEBDHN COc1ccc(-c2ccc(CNCCCO)o2)c([N+](=O)[O-])c1 ZINC000237287685 132558548 /nfs/dbraw/zinc/55/85/48/132558548.db2.gz FLWUHMWGQLGMJT-UHFFFAOYSA-N 0 3 306.318 2.335 20 5 DEBDHN CCCN(CCN1CCCCCC1)c1ncc([N+](=O)[O-])cn1 ZINC000341083604 132622700 /nfs/dbraw/zinc/62/27/00/132622700.db2.gz MIFNLPKRERTCTO-UHFFFAOYSA-N 0 3 307.398 2.477 20 5 DEBDHN CC(=O)c1ccc(N2CCCN3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000360465632 133183986 /nfs/dbraw/zinc/18/39/86/133183986.db2.gz GOFCJHHUNCUQOO-AWEZNQCLSA-N 0 3 303.362 2.472 20 5 DEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC2(C1)CCCC2 ZINC000376936829 296516017 /nfs/dbraw/zinc/51/60/17/296516017.db2.gz GJWVKLZSBABZMO-CYBMUJFWSA-N 0 3 306.362 2.211 20 5 DEBDHN O=[N+]([O-])c1ccc(OCCN2CC[C@@H]3OCCC[C@H]3C2)cc1 ZINC000246901786 145118596 /nfs/dbraw/zinc/11/85/96/145118596.db2.gz VOYFUPAEGGGZLE-BBRMVZONSA-N 0 3 306.362 2.475 20 5 DEBDHN O=[N+]([O-])c1cc2c(ncnc2N[C@@H]2CCN(C3CC3)C2)s1 ZINC000313861726 145355394 /nfs/dbraw/zinc/35/53/94/145355394.db2.gz MIDLFTOMFFKKLK-MRVPVSSYSA-N 0 3 305.363 2.248 20 5 DEBDHN Cn1cnc([N+](=O)[O-])c1NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000336696253 145397035 /nfs/dbraw/zinc/39/70/35/145397035.db2.gz ATEPIKOTEXBUBV-CQSZACIVSA-N 0 3 315.377 2.262 20 5 DEBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)CN(C)C ZINC000346226283 146042449 /nfs/dbraw/zinc/04/24/49/146042449.db2.gz PJNMTRSAEXCLQL-SNVBAGLBSA-N 0 3 311.407 2.387 20 5 DEBDHN CC(=O)N1CC(N[C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000565218808 292147850 /nfs/dbraw/zinc/14/78/50/292147850.db2.gz PCUOQIOWYDZEKX-CJNGLKHVSA-N 0 3 317.389 2.126 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(C)CC[C@@H]1C ZINC000346358936 146067785 /nfs/dbraw/zinc/06/77/85/146067785.db2.gz HPLVFYVYPVAEPO-LBPRGKRZSA-N 0 3 306.366 2.461 20 5 DEBDHN C[C@H](CO)N1CCCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000346661419 146119506 /nfs/dbraw/zinc/11/95/06/146119506.db2.gz VZPKFWDCENKPEG-ZIAGYGMSSA-N 0 3 307.394 2.044 20 5 DEBDHN Cn1c(C(=O)N2CCCN(C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000349105835 146350284 /nfs/dbraw/zinc/35/02/84/146350284.db2.gz HUOUFLKLTPQTOJ-UHFFFAOYSA-N 0 3 320.393 2.024 20 5 DEBDHN C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)N1CCCC[C@H]1C ZINC000344988441 404486691 /nfs/dbraw/zinc/48/66/91/404486691.db2.gz NKXWBFCGXHHQOY-VXGBXAGGSA-N 0 3 320.393 2.170 20 5 DEBDHN CC(=O)c1ccc(N2CC[C@@H](N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000072089579 401703069 /nfs/dbraw/zinc/70/30/69/401703069.db2.gz AOXSISDSXVFMES-CQSZACIVSA-N 0 3 303.362 2.472 20 5 DEBDHN CCOc1ccc(C(=O)NC[C@H]2CCCN2CC)cc1[N+](=O)[O-] ZINC000072595130 401711160 /nfs/dbraw/zinc/71/11/60/401711160.db2.gz BUIHCAICNMQNFF-CYBMUJFWSA-N 0 3 321.377 2.208 20 5 DEBDHN CCN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)CC1CC1 ZINC000112983838 401763278 /nfs/dbraw/zinc/76/32/78/401763278.db2.gz UXWOSJZDRXQYCJ-UHFFFAOYSA-N 0 3 303.362 2.216 20 5 DEBDHN O=[N+]([O-])c1ccc(Cl)c(CNCCCN2CCOCC2)c1 ZINC000035368207 401899141 /nfs/dbraw/zinc/89/91/41/401899141.db2.gz LFVABDREPHGZBA-UHFFFAOYSA-N 0 3 313.785 2.060 20 5 DEBDHN CN1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000118760731 401907037 /nfs/dbraw/zinc/90/70/37/401907037.db2.gz UXUGSDVYXOBDDS-UHFFFAOYSA-N 0 3 311.769 2.001 20 5 DEBDHN O=[N+]([O-])c1cccc(OCCN2CCS[C@H]3COCC[C@@H]32)c1 ZINC000135555008 401945136 /nfs/dbraw/zinc/94/51/36/401945136.db2.gz XSIPQBBVAMPTFV-GJZGRUSLSA-N 0 3 324.402 2.180 20 5 DEBDHN O=[N+]([O-])c1ccc(CNCCCN2CCOCC2)c(Cl)c1 ZINC000049963318 402023827 /nfs/dbraw/zinc/02/38/27/402023827.db2.gz QOLSODKMPVAHIL-UHFFFAOYSA-N 0 3 313.785 2.060 20 5 DEBDHN CC(C)N(CCN(C)C)C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000152022008 402071803 /nfs/dbraw/zinc/07/18/03/402071803.db2.gz WASVQNCHBCGZAC-UHFFFAOYSA-N 0 3 315.320 2.285 20 5 DEBDHN CN(CC1CCN(C)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000103503745 402191847 /nfs/dbraw/zinc/19/18/47/402191847.db2.gz IFWHKZOEOPHFNN-UHFFFAOYSA-N 0 3 306.366 2.400 20 5 DEBDHN CN(C)[C@@H]1CCCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000068342385 402194329 /nfs/dbraw/zinc/19/43/29/402194329.db2.gz VAKBXCSUFVWVAF-CYBMUJFWSA-N 0 3 323.418 2.240 20 5 DEBDHN Cc1nc2n(n1)C[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000105934396 402211407 /nfs/dbraw/zinc/21/14/07/402211407.db2.gz ORTFKOKOUAWSRX-ZWNOBZJWSA-N 0 3 301.350 2.160 20 5 DEBDHN CN(CCOc1ccc(Cl)cc1)CCn1ccc([N+](=O)[O-])n1 ZINC000176193847 402288781 /nfs/dbraw/zinc/28/87/81/402288781.db2.gz COCVCDNCXOXDEW-UHFFFAOYSA-N 0 3 324.768 2.456 20 5 DEBDHN COc1ccc(CN2CCN(C)C[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000184741576 402296814 /nfs/dbraw/zinc/29/68/14/402296814.db2.gz YLFUMHXGTQCALG-HNNXBMFYSA-N 0 3 307.394 2.375 20 5 DEBDHN C[C@@H](C(=O)N1CCC[C@@H](N(C)C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185171578 402330787 /nfs/dbraw/zinc/33/07/87/402330787.db2.gz BAPIUQCCNGFAQV-DGCLKSJQSA-N 0 3 323.368 2.390 20 5 DEBDHN CSc1cccc(C(=O)N(C)C2CCN(C)CC2)c1[N+](=O)[O-] ZINC000186143084 402404935 /nfs/dbraw/zinc/40/49/35/402404935.db2.gz XUMQACMPEFTGBO-UHFFFAOYSA-N 0 3 323.418 2.483 20 5 DEBDHN O=[N+]([O-])c1ccc(CCN2CCC(Cn3cncn3)CC2)cc1 ZINC000186234569 402413882 /nfs/dbraw/zinc/41/38/82/402413882.db2.gz QFCCJQKHQXAOCR-UHFFFAOYSA-N 0 3 315.377 2.141 20 5 DEBDHN COc1ccc(CN2CCN3CCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000177769968 402434877 /nfs/dbraw/zinc/43/48/77/402434877.db2.gz SIYFBHJHSLYVBC-CQSZACIVSA-N 0 3 305.378 2.274 20 5 DEBDHN COc1cc(C(=O)N(CCN(C)C)C(C)C)cc([N+](=O)[O-])c1C ZINC000189683640 402552270 /nfs/dbraw/zinc/55/22/70/402552270.db2.gz BUTSYKGWEHYVFG-UHFFFAOYSA-N 0 3 323.393 2.324 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)CC1(O)CCOCC1 ZINC000189789154 402558672 /nfs/dbraw/zinc/55/86/72/402558672.db2.gz JCWSPARWBZXTOG-CYBMUJFWSA-N 0 3 308.378 2.438 20 5 DEBDHN CC[C@@H](NCCN1CCOC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000178661126 402522904 /nfs/dbraw/zinc/52/29/04/402522904.db2.gz OPJJNHODCCFCHX-XJKSGUPXSA-N 0 3 307.394 2.356 20 5 DEBDHN CCc1[nH]nc(C(=O)Nc2cccc(CN(C)C)c2)c1[N+](=O)[O-] ZINC000171371168 402581840 /nfs/dbraw/zinc/58/18/40/402581840.db2.gz ZYTUBBBNWCGOHJ-UHFFFAOYSA-N 0 3 317.349 2.194 20 5 DEBDHN CNC(=O)[C@H]1CCCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182778389 402715712 /nfs/dbraw/zinc/71/57/12/402715712.db2.gz YZCVXOZWUCIJCU-STQMWFEESA-N 0 3 305.378 2.422 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@H](OCCO)C1 ZINC000182791532 402716248 /nfs/dbraw/zinc/71/62/48/402716248.db2.gz UTPCDWADBTYUKH-ZFWWWQNUSA-N 0 3 308.378 2.438 20 5 DEBDHN C[C@@H](CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)N(C)C1CC1 ZINC000255327607 402684168 /nfs/dbraw/zinc/68/41/68/402684168.db2.gz GBESNQZFSJRAIH-JSJZCHLLSA-N 0 3 303.362 2.207 20 5 DEBDHN CCOc1ccc([C@H](C)NCC(C)(C)C(N)=O)cc1[N+](=O)[O-] ZINC000183210486 402747428 /nfs/dbraw/zinc/74/74/28/402747428.db2.gz SLVOSRGQFURRBF-JTQLQIEISA-N 0 3 309.366 2.156 20 5 DEBDHN Cc1ccc([C@@H](C)NC(=O)NC2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000175555960 402817395 /nfs/dbraw/zinc/81/73/95/402817395.db2.gz YEOHFFREASJZMG-GFCCVEGCSA-N 0 3 320.393 2.358 20 5 DEBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)N1CCC(C)CC1 ZINC000184330966 402836239 /nfs/dbraw/zinc/83/62/39/402836239.db2.gz HDACAFCYLPJWKI-GFCCVEGCSA-N 0 3 320.393 2.027 20 5 DEBDHN COc1cc(C[NH2+]CC(C)(C)CCCO)c([N+](=O)[O-])cc1[O-] ZINC000271540867 402881033 /nfs/dbraw/zinc/88/10/33/402881033.db2.gz PIVUKPIWLWXWJH-UHFFFAOYSA-N 0 3 312.366 2.197 20 5 DEBDHN COCCN1CC[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000264563185 402889940 /nfs/dbraw/zinc/88/99/40/402889940.db2.gz GADTYFIPJAMHKX-LBPRGKRZSA-N 0 3 316.361 2.276 20 5 DEBDHN C[C@H]1CCC[C@H]1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000279160806 402911062 /nfs/dbraw/zinc/91/10/62/402911062.db2.gz BELQJWHBGNLYRZ-SMDDNHRTSA-N 0 3 303.362 2.262 20 5 DEBDHN COc1ccc(OCCN[C@H](C)c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000273361842 402997823 /nfs/dbraw/zinc/99/78/23/402997823.db2.gz JOEHDRTUWOBVSI-LLVKDONJSA-N 0 3 320.349 2.067 20 5 DEBDHN Cc1c(C(=O)NC[C@]2(N(C)C)CCSC2)cccc1[N+](=O)[O-] ZINC000267144228 403019003 /nfs/dbraw/zinc/01/90/03/403019003.db2.gz VEYKBZNVCKFJAI-OAHLLOKOSA-N 0 3 323.418 2.070 20 5 DEBDHN CN1CCC(CC(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000273203105 402982517 /nfs/dbraw/zinc/98/25/17/402982517.db2.gz KFHBFYXDKBOVAW-UHFFFAOYSA-N 0 3 317.349 2.142 20 5 DEBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NCCN(CC)C1CC1 ZINC000280950974 403053485 /nfs/dbraw/zinc/05/34/85/403053485.db2.gz MIIQNURAAWKBAA-UHFFFAOYSA-N 0 3 321.377 2.208 20 5 DEBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000268232106 403064759 /nfs/dbraw/zinc/06/47/59/403064759.db2.gz SMDZMNRJGWOVMG-TVQRCGJNSA-N 0 3 323.780 2.461 20 5 DEBDHN C[C@H]1NCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@H]1C ZINC000277484158 403222323 /nfs/dbraw/zinc/22/23/23/403222323.db2.gz MRDMYAZTACMXQC-ZJUUUORDSA-N 0 3 303.318 2.163 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])cc1CNCC1(O)CC(OCC)C1 ZINC000277799161 403258179 /nfs/dbraw/zinc/25/81/79/403258179.db2.gz XGISGXMKNTWUJX-UHFFFAOYSA-N 0 3 324.377 2.013 20 5 DEBDHN O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCCN1C1CC1 ZINC000277813191 403259713 /nfs/dbraw/zinc/25/97/13/403259713.db2.gz HCRHQWYCLSCINQ-HNNXBMFYSA-N 0 3 317.389 2.270 20 5 DEBDHN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CCN(C2CCC2)C1 ZINC000292305304 403349566 /nfs/dbraw/zinc/34/95/66/403349566.db2.gz IFRJQSYJRBXAMZ-LLVKDONJSA-N 0 3 307.350 2.134 20 5 DEBDHN Cc1ccc(C(=O)N2CC[C@@]3(CCN(C)C3)C2)cc1[N+](=O)[O-] ZINC000292227611 403327626 /nfs/dbraw/zinc/32/76/26/403327626.db2.gz NHVMYKDCDWAUFK-MRXNPFEDSA-N 0 3 303.362 2.071 20 5 DEBDHN CC(C)COC[C@@H](O)CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292251449 403334026 /nfs/dbraw/zinc/33/40/26/403334026.db2.gz XTGFVSMHJNZLIO-ZDUSSCGKSA-N 0 3 310.394 2.453 20 5 DEBDHN CN(C)[C@H]1CCCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000342879459 403382104 /nfs/dbraw/zinc/38/21/04/403382104.db2.gz CVYSTKKSESRMPG-NSHDSACASA-N 0 3 316.361 2.242 20 5 DEBDHN CCN1CCN(CCCNc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000286053440 403440060 /nfs/dbraw/zinc/44/00/60/403440060.db2.gz HYPYJNRARQFVRB-UHFFFAOYSA-N 0 3 310.373 2.173 20 5 DEBDHN C[C@@H]1C[C@H](N2CCCC2)CN1c1ccc([N+](=O)[O-])c(N)c1F ZINC000286237711 403479206 /nfs/dbraw/zinc/47/92/06/403479206.db2.gz FCAKRZKVCNKCHO-MNOVXSKESA-N 0 3 308.357 2.379 20 5 DEBDHN CC[C@@H](C)NC(=O)CCN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293632759 403524269 /nfs/dbraw/zinc/52/42/69/403524269.db2.gz HPZHBYMFKBAHEB-GHMZBOCLSA-N 0 3 308.382 2.132 20 5 DEBDHN CCN1CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000286437729 403526064 /nfs/dbraw/zinc/52/60/64/403526064.db2.gz JDEQBTNBNXBXLO-ZDUSSCGKSA-N 0 3 323.393 2.008 20 5 DEBDHN C[C@@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCN1C ZINC000343441126 403592523 /nfs/dbraw/zinc/59/25/23/403592523.db2.gz BTCWLEOIAWREFZ-RNCFNFMXSA-N 0 3 311.769 2.461 20 5 DEBDHN CCC[C@H](C)C(=O)NCCN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293768168 403558859 /nfs/dbraw/zinc/55/88/59/403558859.db2.gz RXNLJRSGTKIURF-RYUDHWBXSA-N 0 3 322.409 2.380 20 5 DEBDHN CCn1ccnc1[C@@H]1OCC[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000343399592 403570443 /nfs/dbraw/zinc/57/04/43/403570443.db2.gz KJUHRCUDBPNRQN-HUUCEWRRSA-N 0 3 316.361 2.431 20 5 DEBDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)c2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346258667 403581604 /nfs/dbraw/zinc/58/16/04/403581604.db2.gz KBJZVOLALXGDHA-ZENOOKHLSA-N 0 3 317.389 2.397 20 5 DEBDHN CCCN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000343558071 403637191 /nfs/dbraw/zinc/63/71/91/403637191.db2.gz UIVMOVLHSHQHKK-ZDUSSCGKSA-N 0 3 321.377 2.208 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000294169295 403663846 /nfs/dbraw/zinc/66/38/46/403663846.db2.gz OLJMAVONLJRPAW-QGZVFWFLSA-N 0 3 317.389 2.461 20 5 DEBDHN O=C(NC[C@H]1CCCCN1C1CC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000347354047 403676896 /nfs/dbraw/zinc/67/68/96/403676896.db2.gz IEHMBLAHTJJRDQ-CQSZACIVSA-N 0 3 321.352 2.481 20 5 DEBDHN C[C@H]1C[C@H](O)CN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000340936483 403705408 /nfs/dbraw/zinc/70/54/08/403705408.db2.gz YSXHDJCEBQDEPT-FZMZJTMJSA-N 0 3 317.345 2.247 20 5 DEBDHN CCN(CCNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C1CC1 ZINC000347284374 403648680 /nfs/dbraw/zinc/64/86/80/403648680.db2.gz LFOGLFJQULLIPS-UHFFFAOYSA-N 0 3 310.329 2.340 20 5 DEBDHN C[C@H]1C[C@@H](Nc2ncnc3cccc([N+](=O)[O-])c32)CCN1C ZINC000347463408 403719536 /nfs/dbraw/zinc/71/95/36/403719536.db2.gz MLZHUELVVGWFLC-QWRGUYRKSA-N 0 3 301.350 2.433 20 5 DEBDHN C[C@H]1C[C@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CCN1C ZINC000341195825 403820617 /nfs/dbraw/zinc/82/06/17/403820617.db2.gz IJLVEKQLFNFPCF-GXTWGEPZSA-N 0 3 320.393 2.219 20 5 DEBDHN Cc1c(C(=O)N2CCN(C3CC3)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000295344271 403871389 /nfs/dbraw/zinc/87/13/89/403871389.db2.gz MUBZKOALWISRJQ-LBPRGKRZSA-N 0 3 317.389 2.460 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCO[C@@H](CN(C)C)C1 ZINC000245529476 292296081 /nfs/dbraw/zinc/29/60/81/292296081.db2.gz RKOYTSNJAYONDK-ZFWWWQNUSA-N 0 3 307.394 2.227 20 5 DEBDHN C[C@@H]1C[C@@H](Nc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CCN1C ZINC000322687817 404086949 /nfs/dbraw/zinc/08/69/49/404086949.db2.gz IPGUQBMALNYGPW-ZJUUUORDSA-N 0 3 317.349 2.138 20 5 DEBDHN CCc1nnc(CN[C@@H](C)CCc2ccccc2[N+](=O)[O-])[nH]1 ZINC000296109278 404098286 /nfs/dbraw/zinc/09/82/86/404098286.db2.gz SHYWDPUTJDITCQ-NSHDSACASA-N 0 3 303.366 2.386 20 5 DEBDHN CCc1nnc(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])[n-]1 ZINC000296109278 404098292 /nfs/dbraw/zinc/09/82/92/404098292.db2.gz SHYWDPUTJDITCQ-NSHDSACASA-N 0 3 303.366 2.386 20 5 DEBDHN O=[N+]([O-])c1cc(Cl)ccc1CN[C@@H](CO)[C@@H]1CCCOC1 ZINC000411985456 404045245 /nfs/dbraw/zinc/04/52/45/404045245.db2.gz DNFPSEOWYYCMIZ-YPMHNXCESA-N 0 3 314.769 2.125 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1CN1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000412033431 404071419 /nfs/dbraw/zinc/07/14/19/404071419.db2.gz CQHYCMGLIVVCEI-LNSITVRQSA-N 0 3 306.362 2.196 20 5 DEBDHN CCC1(CC)CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000296178765 404130352 /nfs/dbraw/zinc/13/03/52/404130352.db2.gz NVUNJGCVKWLAPT-AWEZNQCLSA-N 0 3 308.378 2.457 20 5 DEBDHN C[C@@H]1CCN(C)CCN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412114841 404141579 /nfs/dbraw/zinc/14/15/79/404141579.db2.gz JONSNUIXIYFULI-UHOFOFEASA-N 0 3 317.389 2.251 20 5 DEBDHN CC(C)N(CCN(C)C)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412206240 404189017 /nfs/dbraw/zinc/18/90/17/404189017.db2.gz RWEATAHLPALESX-JKSUJKDBSA-N 0 3 319.405 2.497 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@]2(CNC(=O)C2)C1 ZINC000349980185 404284320 /nfs/dbraw/zinc/28/43/20/404284320.db2.gz ZAFWINOSUORFGG-MRXNPFEDSA-N 0 3 303.362 2.005 20 5 DEBDHN COc1c(C(=O)N(CCN(C)C)CC(C)C)cccc1[N+](=O)[O-] ZINC000355674623 404358204 /nfs/dbraw/zinc/35/82/04/404358204.db2.gz RTJYSMKZEKXFDO-UHFFFAOYSA-N 0 3 323.393 2.263 20 5 DEBDHN CN(C[C@@H](O)COc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000290798809 404317446 /nfs/dbraw/zinc/31/74/46/404317446.db2.gz PGRHGDMUJHNURO-LLVKDONJSA-N 0 3 300.742 2.082 20 5 DEBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)CC1CCN(C)CC1 ZINC000291542980 404420579 /nfs/dbraw/zinc/42/05/79/404420579.db2.gz VMFIOXJMPSETIE-UHFFFAOYSA-N 0 3 305.378 2.285 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H]([C@H]2CCOC2)C1 ZINC000373777552 404587450 /nfs/dbraw/zinc/58/74/50/404587450.db2.gz MWJKNCCMHZUJSK-OCCSQVGLSA-N 0 3 306.362 2.462 20 5 DEBDHN CN1CC[C@@]2(CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)C2)C1 ZINC000291905161 404573165 /nfs/dbraw/zinc/57/31/65/404573165.db2.gz PZAIYNYEFSJCJU-OAHLLOKOSA-N 0 3 322.340 2.293 20 5 DEBDHN O=C1C[C@H](CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CN1 ZINC000414485931 404650614 /nfs/dbraw/zinc/65/06/14/404650614.db2.gz QBBJDKTUKGCVHG-LLVKDONJSA-N 0 3 315.329 2.081 20 5 DEBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000342469665 404599314 /nfs/dbraw/zinc/59/93/14/404599314.db2.gz LVUIIAJYJLCXJF-LKFCYVNXSA-N 0 3 323.780 2.461 20 5 DEBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000342469666 404599953 /nfs/dbraw/zinc/59/99/53/404599953.db2.gz LVUIIAJYJLCXJF-OTYXRUKQSA-N 0 3 323.780 2.461 20 5 DEBDHN CC(C)CC[C@H](O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000361303473 405014810 /nfs/dbraw/zinc/01/48/10/405014810.db2.gz DAUZOAZADLBUBT-HIFRSBDPSA-N 0 3 322.409 2.273 20 5 DEBDHN CN1CC[C@H](CNCc2ccc([N+](=O)[O-])cc2Cl)CC1=O ZINC000424183009 405032729 /nfs/dbraw/zinc/03/27/29/405032729.db2.gz BENDFDZKNPMNMT-JTQLQIEISA-N 0 3 311.769 2.206 20 5 DEBDHN C[C@@H](NC(=O)N1C[C@@H](C)NC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000417128059 405044072 /nfs/dbraw/zinc/04/40/72/405044072.db2.gz HQQGRXMVBODXEQ-GRYCIOLGSA-N 0 3 306.366 2.048 20 5 DEBDHN CC1(C)C[C@@H](O)CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000451803754 405044413 /nfs/dbraw/zinc/04/44/13/405044413.db2.gz RAQLLUBXNJZLQW-AWEZNQCLSA-N 0 3 308.378 2.457 20 5 DEBDHN CC1(C)C[C@H](O)CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000451803755 405044432 /nfs/dbraw/zinc/04/44/32/405044432.db2.gz RAQLLUBXNJZLQW-CQSZACIVSA-N 0 3 308.378 2.457 20 5 DEBDHN CC(C)NC(=O)c1ccc(NCC2(N(C)C)CC2)c([N+](=O)[O-])c1 ZINC000419011482 405219459 /nfs/dbraw/zinc/21/94/59/405219459.db2.gz ZXCNZYXOGBRBIQ-UHFFFAOYSA-N 0 3 320.393 2.239 20 5 DEBDHN O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@H](c2nc[nH]n2)C1 ZINC000425555339 405302668 /nfs/dbraw/zinc/30/26/68/405302668.db2.gz XWHWRCMZGRYCEU-JTQLQIEISA-N 0 3 307.741 2.356 20 5 DEBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N(C)C[C@H]1CCCN1C ZINC000420641002 405366439 /nfs/dbraw/zinc/36/64/39/405366439.db2.gz UDTVEDFLPDMLAU-GFCCVEGCSA-N 0 3 321.377 2.220 20 5 DEBDHN Cc1ccc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000577632172 405486229 /nfs/dbraw/zinc/48/62/29/405486229.db2.gz VWGHVIZKCOWSLE-MRXNPFEDSA-N 0 3 316.357 2.433 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000421468967 405512616 /nfs/dbraw/zinc/51/26/16/405512616.db2.gz AQJHTVVRWCXJOH-CYBMUJFWSA-N 0 3 305.378 2.378 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@H]2CCCN2C)c1 ZINC000421715541 405611024 /nfs/dbraw/zinc/61/10/24/405611024.db2.gz YBYZNSYPSOXLTN-GFCCVEGCSA-N 0 3 321.377 2.160 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCN1CCCCC1 ZINC000421749592 405627855 /nfs/dbraw/zinc/62/78/55/405627855.db2.gz IFIVAOIYQAFYQQ-UHFFFAOYSA-N 0 3 305.378 2.427 20 5 DEBDHN Cc1cc(C(=O)N(C)[C@@H]2CCN(C(C)C)C2)ccc1[N+](=O)[O-] ZINC000457079487 405682971 /nfs/dbraw/zinc/68/29/71/405682971.db2.gz FMCDCTZSHHXYOW-CQSZACIVSA-N 0 3 305.378 2.458 20 5 DEBDHN C[C@@H]1CCN[C@@H](C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000423168940 405709707 /nfs/dbraw/zinc/70/97/07/405709707.db2.gz VMCHJXHEBXSCER-CZUORRHYSA-N 0 3 319.405 2.422 20 5 DEBDHN CCO[C@@H]1COC[C@H]1N[C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000449728340 405714955 /nfs/dbraw/zinc/71/49/55/405714955.db2.gz UUQNFYNLQPKMRS-XNRPHZJLSA-N 0 3 308.378 2.309 20 5 DEBDHN O=[N+]([O-])c1cccc2c(NCCN3CCCOCC3)ccnc21 ZINC000432172970 405735028 /nfs/dbraw/zinc/73/50/28/405735028.db2.gz RHGJXPVDWWCTOT-UHFFFAOYSA-N 0 3 316.361 2.277 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1CN(C)C1CCN(OC)CC1 ZINC000459575053 405962827 /nfs/dbraw/zinc/96/28/27/405962827.db2.gz CSSDHSCQGLOKGV-UHFFFAOYSA-N 0 3 309.366 2.061 20 5 DEBDHN CN1CC[C@@H](C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000532637649 406090421 /nfs/dbraw/zinc/09/04/21/406090421.db2.gz CZJFYIOMOBKPGQ-CYBMUJFWSA-N 0 3 303.362 2.038 20 5 DEBDHN C[C@H]1[C@H](Nc2c3ccccc3ncc2[N+](=O)[O-])CCCN1C ZINC000488130591 406296804 /nfs/dbraw/zinc/29/68/04/406296804.db2.gz SSBWJYGSBCNVEA-WCQYABFASA-N 0 3 300.362 2.460 20 5 DEBDHN CN1CCC[C@H](CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000547760508 406442874 /nfs/dbraw/zinc/44/28/74/406442874.db2.gz GXFBLKYGANQMFB-SNVBAGLBSA-N 0 3 310.329 2.197 20 5 DEBDHN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)NC1CCN(C2CC2)CC1 ZINC000547760483 406443037 /nfs/dbraw/zinc/44/30/37/406443037.db2.gz BPQLVWGPTQJUBL-UHFFFAOYSA-N 0 3 322.340 2.482 20 5 DEBDHN Cc1ccc(CCNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)o1 ZINC000550174978 406599666 /nfs/dbraw/zinc/59/96/66/406599666.db2.gz YLAKCCWQSGKHLG-CQSZACIVSA-N 0 3 320.345 2.068 20 5 DEBDHN CN(C)[C@H]1CCCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000491577486 406628212 /nfs/dbraw/zinc/62/82/12/406628212.db2.gz XADQMOVUWIEFIN-QPBFKRLHSA-N 0 3 321.352 2.300 20 5 DEBDHN CN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[C@@H]1CN2CCC1CC2 ZINC000491794012 406723327 /nfs/dbraw/zinc/72/33/27/406723327.db2.gz IZCTYCYQWVHMOF-IEXSPKMKSA-N 0 3 315.373 2.161 20 5 DEBDHN C[C@@H]1C[C@H](NC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CCN1C ZINC000491913862 406776517 /nfs/dbraw/zinc/77/65/17/406776517.db2.gz KJLIABQPOPFEDV-CAMLPZEUSA-N 0 3 321.352 2.346 20 5 DEBDHN C[C@@H]1C[C@H](NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000491942391 406784654 /nfs/dbraw/zinc/78/46/54/406784654.db2.gz VFKDFRCPQKLJMM-GPTAZTBJSA-N 0 3 303.362 2.207 20 5 DEBDHN CCN1CCCC[C@@H]1CNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000357332218 424815864 /nfs/dbraw/zinc/81/58/64/424815864.db2.gz FKNNCSBWPPSPKL-GFCCVEGCSA-N 0 3 315.377 2.824 20 5 DEBDHN CC(C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000340348154 424946984 /nfs/dbraw/zinc/94/69/84/424946984.db2.gz BOHPWYKIRNUHLH-YFKPBYRVSA-N 0 3 302.212 2.608 20 5 DEBDHN CC(C)Oc1nc(N[C@@H]2C[C@H](C)N(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000594566129 425013209 /nfs/dbraw/zinc/01/32/09/425013209.db2.gz AWPAWFFTCOLKQL-NWDGAFQWSA-N 0 3 320.393 2.814 20 5 DEBDHN CC[C@](C)(CNC(=O)OC(C)(C)C)C(=O)OCC(C)[N+](=O)[O-] ZINC000496417484 269218090 /nfs/dbraw/zinc/21/80/90/269218090.db2.gz FBAYEHAPVDMQHE-IINYFYTJSA-N 0 3 318.370 2.136 20 5 DEBDHN C[C@H](N[C@@H]1CSC[C@H]1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000507267533 269316367 /nfs/dbraw/zinc/31/63/67/269316367.db2.gz YCTBSIIVSQGERD-JFGNBEQYSA-N 0 3 309.391 2.263 20 5 DEBDHN C[C@@H]1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@@H]1C ZINC000177879036 274303969 /nfs/dbraw/zinc/30/39/69/274303969.db2.gz SNHVWQOJEKHDJZ-LALPHHSUSA-N 0 3 303.362 2.430 20 5 DEBDHN CC(=O)Nc1cccc([C@H](C)NCCn2ccc([N+](=O)[O-])n2)c1 ZINC000182524135 278210193 /nfs/dbraw/zinc/21/01/93/278210193.db2.gz GMQGVOFWIGGMSH-NSHDSACASA-N 0 3 317.349 2.101 20 5 DEBDHN C[C@@]1(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCC(=O)N1 ZINC000453428225 279162903 /nfs/dbraw/zinc/16/29/03/279162903.db2.gz PPHWQLGBWUTNEO-HOCLYGCPSA-N 0 3 303.362 2.231 20 5 DEBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000055400483 279309515 /nfs/dbraw/zinc/30/95/15/279309515.db2.gz ZCOOZKGLZPLYAU-CHWSQXEVSA-N 0 3 305.378 2.445 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000281498596 281021926 /nfs/dbraw/zinc/02/19/26/281021926.db2.gz XXTKYFCSDHUHDM-ZOWXZIJZSA-N 0 3 319.361 2.395 20 5 DEBDHN Cc1ncc(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000582840585 337207844 /nfs/dbraw/zinc/20/78/44/337207844.db2.gz BWBUMIQMXHQYGD-UHFFFAOYSA-N 0 3 320.374 2.478 20 5 DEBDHN COC[C@](C)(O)CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000583240865 337284613 /nfs/dbraw/zinc/28/46/13/337284613.db2.gz SUSNPCAXYQNQCL-GDBMZVCRSA-N 0 3 308.378 2.304 20 5 DEBDHN C[C@H](C(=O)N1CCN(C)CC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000584444493 337326292 /nfs/dbraw/zinc/32/62/92/337326292.db2.gz NBDQFMLRFJYWLD-STQMWFEESA-N 0 3 305.378 2.251 20 5 DEBDHN COc1cc(CNC[C@@H](CC(C)C)OC)c([N+](=O)[O-])cc1O ZINC000418095546 533878914 /nfs/dbraw/zinc/87/89/14/533878914.db2.gz JKALUDLTSXHWNO-GFCCVEGCSA-N 0 3 312.366 2.460 20 5 DEBDHN COc1cc(CNC[C@]2(O)CCC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000292981004 533884758 /nfs/dbraw/zinc/88/47/58/533884758.db2.gz LGSTUZJDLZAPGI-MEDUHNTESA-N 0 3 324.377 2.253 20 5 DEBDHN CC(C)CC[C@@H](O)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373597142 534915494 /nfs/dbraw/zinc/91/54/94/534915494.db2.gz UDHKLDCQTGNIST-CQSZACIVSA-N 0 3 310.398 2.225 20 5 DEBDHN CCNc1ccc(C(=O)N(CCN(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000156774780 528428125 /nfs/dbraw/zinc/42/81/25/528428125.db2.gz VSLJBCVHGCQVNQ-UHFFFAOYSA-N 0 3 322.409 2.439 20 5 DEBDHN CCOC[C@@H](O)CN[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417313377 528912424 /nfs/dbraw/zinc/91/24/24/528912424.db2.gz PIEUIHLQGCENHT-GOEBONIOSA-N 0 3 308.378 2.349 20 5 DEBDHN CC1(C)CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000330808690 529010216 /nfs/dbraw/zinc/01/02/16/529010216.db2.gz AYMUSNMBRNWXKS-ZDUSSCGKSA-N 0 3 308.378 2.457 20 5 DEBDHN Cc1c(CC(=O)N[C@]2(C)CN3CCC2CC3)cccc1[N+](=O)[O-] ZINC000892776486 625582695 /nfs/dbraw/zinc/58/26/95/625582695.db2.gz OKJLUCCHEAUXGC-QGZVFWFLSA-N 0 3 317.389 2.046 20 5 DEBDHN CC(C)CN(CCn1cc([N+](=O)[O-])cn1)Cc1ccccn1 ZINC000932444695 623010534 /nfs/dbraw/zinc/01/05/34/623010534.db2.gz HZNISLKIFLOZAY-UHFFFAOYSA-N 0 3 303.366 2.345 20 5 DEBDHN Cc1cc(C(=O)N[C@@]2(C)CN3CCC2CC3)ccc1[N+](=O)[O-] ZINC000892798856 625618091 /nfs/dbraw/zinc/61/80/91/625618091.db2.gz FIXCQWCLTIYCMR-INIZCTEOSA-N 0 3 303.362 2.117 20 5 DEBDHN O=C(CC1CC1)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001019926305 625854943 /nfs/dbraw/zinc/85/49/43/625854943.db2.gz KKFMXBXQPPNCRJ-HDJSIYSDSA-N 0 3 303.362 2.132 20 5 DEBDHN Cc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)cc1Cl ZINC000836790375 650129953 /nfs/dbraw/zinc/12/99/53/650129953.db2.gz LBDGXJZRXXJLDH-YGRLFVJLSA-N 0 3 323.780 2.333 20 5 DEBDHN Cc1nn(C)c(C(=O)OC[C@H]2CCCCN2C(C)C)c1[N+](=O)[O-] ZINC000837465720 650202050 /nfs/dbraw/zinc/20/20/50/650202050.db2.gz RETKHSXJUVEROD-GFCCVEGCSA-N 0 3 324.381 2.056 20 5 DEBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000108305099 636578304 /nfs/dbraw/zinc/57/83/04/636578304.db2.gz ZWJHYYQLCDQFPZ-GFCCVEGCSA-N 0 3 323.780 2.462 20 5 DEBDHN COc1cc([N+](=O)[O-])cnc1NC[C@H]1CCN1C1CCCC1 ZINC000894769222 637199029 /nfs/dbraw/zinc/19/90/29/637199029.db2.gz SCYSGLILLBMIFW-GFCCVEGCSA-N 0 3 306.366 2.427 20 5 DEBDHN C[C@H]1[C@@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CCN1C ZINC000928435397 637228869 /nfs/dbraw/zinc/22/88/69/637228869.db2.gz RWYYDNBMNCQMNV-AAEUAGOBSA-N 0 3 305.378 2.081 20 5 DEBDHN CO[C@@H](CNCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000895309711 637912927 /nfs/dbraw/zinc/91/29/27/637912927.db2.gz QFVKEOJRTLUQEU-FZMZJTMJSA-N 0 3 314.769 2.389 20 5 DEBDHN COc1c(O)ccc(CNC[C@@]2(C)CC2(F)F)c1[N+](=O)[O-] ZINC000895375589 637984198 /nfs/dbraw/zinc/98/41/98/637984198.db2.gz AGTMOXLIRRWZTB-GFCCVEGCSA-N 0 3 302.277 2.444 20 5 DEBDHN COc1c(O)ccc(CN[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000895624318 638118489 /nfs/dbraw/zinc/11/84/89/638118489.db2.gz GBTBFGFKIHOWNC-QYTUQVAYSA-N 0 3 310.350 2.211 20 5 DEBDHN COC(=O)N1CCC[C@@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000746049504 638305930 /nfs/dbraw/zinc/30/59/30/638305930.db2.gz REGBUZDEKFZVHM-WCQYABFASA-N 0 3 307.350 2.476 20 5 DEBDHN CC(C)(C)[C@@H]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000754226521 639404004 /nfs/dbraw/zinc/40/40/04/639404004.db2.gz OYSTZMLVQORLIU-OAGGEKHMSA-N 0 3 322.405 2.357 20 5 DEBDHN Cc1ccc(NC(=O)N(C)[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000929119087 640772392 /nfs/dbraw/zinc/77/23/92/640772392.db2.gz XTZQQVCPIHGEGQ-CYBMUJFWSA-N 0 3 306.366 2.461 20 5 DEBDHN COc1nn(C)cc1CN[C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000898025880 641003285 /nfs/dbraw/zinc/00/32/85/641003285.db2.gz ODQKOCLHLOXWHR-LBPRGKRZSA-N 0 3 318.377 2.448 20 5 DEBDHN O=[N+]([O-])CCN[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000905138863 643808906 /nfs/dbraw/zinc/80/89/06/643808906.db2.gz YWOCPMOFNNYIRD-NSHDSACASA-N 0 3 315.320 2.123 20 5 DEBDHN C=C/C=C\CCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000905424102 643909162 /nfs/dbraw/zinc/90/91/62/643909162.db2.gz XIFPYYMDNWAGSB-ARJAWSKDSA-N 0 3 310.375 2.090 20 5 DEBDHN O=[N+]([O-])CCN1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000791055235 643924950 /nfs/dbraw/zinc/92/49/50/643924950.db2.gz QVWPUTNCADQDJV-ZDUSSCGKSA-N 0 3 307.398 2.309 20 5 DEBDHN O=[N+]([O-])CCN1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000791055235 643924955 /nfs/dbraw/zinc/92/49/55/643924955.db2.gz QVWPUTNCADQDJV-ZDUSSCGKSA-N 0 3 307.398 2.309 20 5 DEBDHN CC[C@@H](CO)NCc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000794916764 644491944 /nfs/dbraw/zinc/49/19/44/644491944.db2.gz SAQZBBNEXFLKNG-VIFPVBQESA-N 0 3 320.292 2.065 20 5 DEBDHN Cc1cc(-c2noc(C[C@@H]3CSCCN3)n2)cc([N+](=O)[O-])c1 ZINC000843239471 650937268 /nfs/dbraw/zinc/93/72/68/650937268.db2.gz MDVKSXCJRUPEMD-LLVKDONJSA-N 0 3 320.374 2.201 20 5 DEBDHN CCN1CCCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)[C@@H](C)C1 ZINC000910286602 645389813 /nfs/dbraw/zinc/38/98/13/645389813.db2.gz HGVXICFZDVQMGI-LBPRGKRZSA-N 0 3 321.377 2.160 20 5 DEBDHN CC(C)[C@H](C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F)N(C)C ZINC000911476708 645715001 /nfs/dbraw/zinc/71/50/01/645715001.db2.gz SQBPMQRDLULEMQ-CYBMUJFWSA-N 0 3 315.320 2.075 20 5 DEBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000843907851 651046677 /nfs/dbraw/zinc/04/66/77/651046677.db2.gz DHMCJARDNIKNLJ-SMDDNHRTSA-N 0 3 321.352 2.209 20 5 DEBDHN COCCN(C)CCCNc1cc([N+](=O)[O-])ccc1C(C)=O ZINC000807925785 646008784 /nfs/dbraw/zinc/00/87/84/646008784.db2.gz UTSMZCZPODJYJP-UHFFFAOYSA-N 0 3 309.366 2.178 20 5 DEBDHN CC(COC(=O)CCc1cc2ccccc2[nH]c1=O)[N+](=O)[O-] ZINC000813101728 646728449 /nfs/dbraw/zinc/72/84/49/646728449.db2.gz HWMPRAOEPHUGEF-JTQLQIEISA-N 0 3 304.302 2.081 20 5 DEBDHN CC(COC(=O)c1cnc(OCC2CC2)c(Cl)c1)[N+](=O)[O-] ZINC000813103156 646728895 /nfs/dbraw/zinc/72/88/95/646728895.db2.gz ALWZMXSUJFXOLO-MRVPVSSYSA-N 0 3 314.725 2.346 20 5 DEBDHN COc1ccc(Br)c(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813103121 646728951 /nfs/dbraw/zinc/72/89/51/646728951.db2.gz ODIWNXAWSYRNBY-SSDOTTSWSA-N 0 3 318.123 2.280 20 5 DEBDHN CC(C)CC(=O)N[C@@H](C(=O)OCC(C)[N+](=O)[O-])c1ccccc1 ZINC000813101976 646728994 /nfs/dbraw/zinc/72/89/94/646728994.db2.gz MHCFTXUFXUPSCG-SWLSCSKDSA-N 0 3 322.361 2.098 20 5 DEBDHN COc1ccc(C(=O)C[C@@H](C)C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813104855 646729690 /nfs/dbraw/zinc/72/96/90/646729690.db2.gz SKGLTIVOHOBHPL-MNOVXSKESA-N 0 3 309.318 2.113 20 5 DEBDHN CC(COC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1)[N+](=O)[O-] ZINC000813106613 646729856 /nfs/dbraw/zinc/72/98/56/646729856.db2.gz FHLRWANQMFTAKT-LLVKDONJSA-N 0 3 322.361 2.285 20 5 DEBDHN CC(COC(=O)c1nn(-c2ccccc2)c2c1CCC2)[N+](=O)[O-] ZINC000813107402 646730713 /nfs/dbraw/zinc/73/07/13/646730713.db2.gz QGTDPNUINRAKAT-NSHDSACASA-N 0 3 315.329 2.183 20 5 DEBDHN COCCn1cc(C(=O)OCC(C)[N+](=O)[O-])c2ccccc21 ZINC000813110563 646731119 /nfs/dbraw/zinc/73/11/19/646731119.db2.gz DNIAULAYKDZVCX-LLVKDONJSA-N 0 3 306.318 2.110 20 5 DEBDHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])c(OC(F)F)c1 ZINC000813112607 646731396 /nfs/dbraw/zinc/73/13/96/646731396.db2.gz JOJOLQCHNVBIPK-SSDOTTSWSA-N 0 3 305.233 2.119 20 5 DEBDHN CC(COC(=O)c1ccnc(N2CCC[C@@H](C)C2)c1)[N+](=O)[O-] ZINC000813114011 646733126 /nfs/dbraw/zinc/73/31/26/646733126.db2.gz KXYRCWDRKCMMGV-NEPJUHHUSA-N 0 3 307.350 2.140 20 5 DEBDHN O=[N+]([O-])c1cc(Cl)ccc1CNCCN1CCSCC1 ZINC000230937517 646782178 /nfs/dbraw/zinc/78/21/78/646782178.db2.gz GZMKXISSBJCCRJ-UHFFFAOYSA-N 0 3 315.826 2.387 20 5 DEBDHN CC(COC(=O)[C@@H](C)Cc1cnc2ccccc2n1)[N+](=O)[O-] ZINC000816091338 647090176 /nfs/dbraw/zinc/09/01/76/647090176.db2.gz SQBJTEMNZACAHZ-WDEREUQCSA-N 0 3 303.318 2.017 20 5 DEBDHN CN1C[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)[C@@H]2C1 ZINC000816952491 647204199 /nfs/dbraw/zinc/20/41/99/647204199.db2.gz MDUXIKBQHIPJQD-GXFFZTMASA-N 0 3 309.753 2.024 20 5 DEBDHN COc1cc(CN[C@H]2COC[C@@H]2C2CC2)c([N+](=O)[O-])cc1OC ZINC000914432594 647356437 /nfs/dbraw/zinc/35/64/37/647356437.db2.gz ADLQTZGYWGCJEE-OLZOCXBDSA-N 0 3 322.361 2.127 20 5 DEBDHN CN1C[C@@H]2CCCN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])[C@@H]2C1 ZINC000819717923 647715596 /nfs/dbraw/zinc/71/55/96/647715596.db2.gz AHBXCBYYWUPGDM-GXFFZTMASA-N 0 3 323.780 2.414 20 5 DEBDHN CC(C)[C@@H]1CN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])CCN1 ZINC000826762254 648922928 /nfs/dbraw/zinc/92/29/28/648922928.db2.gz GFUUBUKCFGKBPF-AWEZNQCLSA-N 0 3 323.368 2.123 20 5 DEBDHN CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@H]1CCCN1CCCO ZINC000828420596 649176605 /nfs/dbraw/zinc/17/66/05/649176605.db2.gz GCYDVLLFGDRCKF-CQSZACIVSA-N 0 3 321.377 2.056 20 5 DEBDHN Cc1ccc(CNC(=O)[C@H]2CCCN2C(C)C)cc1[N+](=O)[O-] ZINC000828466687 649182957 /nfs/dbraw/zinc/18/29/57/649182957.db2.gz UZUKSZBTTIFMMM-CQSZACIVSA-N 0 3 305.378 2.392 20 5 DEBDHN CN(C)CCONC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000833859250 649769869 /nfs/dbraw/zinc/76/98/69/649769869.db2.gz FJRIKLHIYJIDJF-UHFFFAOYSA-N 0 3 309.366 2.115 20 5 DEBDHN Cc1cc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])nn1C ZINC000845878715 651291586 /nfs/dbraw/zinc/29/15/86/651291586.db2.gz VQJQZFMKGIZULZ-QMTHXVAHSA-N 0 3 321.308 2.431 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCCc2cn[nH]c21 ZINC000857853061 652186211 /nfs/dbraw/zinc/18/62/11/652186211.db2.gz KAZPZZJXQQTPJU-ZDUSSCGKSA-N 0 3 302.334 2.494 20 5 DEBDHN CN(CC1CN(C)C1)c1ccc([N+](=O)[O-])cc1OC(F)F ZINC000853824296 652608835 /nfs/dbraw/zinc/60/88/35/652608835.db2.gz AYGZGPNGGCEBDG-UHFFFAOYSA-N 0 3 301.293 2.194 20 5 DEBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])c(C)n1C[C@H]1CCCOC1 ZINC000860776253 685960185 /nfs/dbraw/zinc/96/01/85/685960185.db2.gz CXRAYCVEYTUILO-GXTWGEPZSA-N 0 3 324.377 2.354 20 5 DEBDHN Cc1cncn1CC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000860854837 685968691 /nfs/dbraw/zinc/96/86/91/685968691.db2.gz KOHUPGVVRYQTGO-ABAIWWIYSA-N 0 3 321.308 2.280 20 5 DEBDHN COC/C(C)=C/CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000929987018 694064845 /nfs/dbraw/zinc/06/48/45/694064845.db2.gz ITAPNQJNBPHAOM-YQJFHSMKSA-N 0 3 306.366 2.069 20 5 DEBDHN C[C@H]1CCCN1CCNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000865563899 687261052 /nfs/dbraw/zinc/26/10/52/687261052.db2.gz CPKJMKHQBALXFZ-QMMMGPOBSA-N 0 3 321.303 2.243 20 5 DEBDHN C[C@@H](CN1CCN(C)CC1)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872035815 688916916 /nfs/dbraw/zinc/91/69/16/688916916.db2.gz ZBCCAIZZQNOGRV-STQMWFEESA-N 0 3 324.400 2.020 20 5 DEBDHN CC(C)Oc1nc(N2CC[C@@H]3[C@H]2CCCN3C)ccc1[N+](=O)[O-] ZINC000872779571 689090628 /nfs/dbraw/zinc/09/06/28/689090628.db2.gz RBTARDKMZGWMOT-CHWSQXEVSA-N 0 3 320.393 2.450 20 5 DEBDHN COC(=O)N1CCC[C@@H](NCc2cccc([N+](=O)[O-])c2C)C1 ZINC000873034947 689145292 /nfs/dbraw/zinc/14/52/92/689145292.db2.gz DBKOXXYIWONYHU-CYBMUJFWSA-N 0 3 307.350 2.224 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNCCOC[C@@H]1CCOC1 ZINC000873048957 689148789 /nfs/dbraw/zinc/14/87/89/689148789.db2.gz SUUCLAPEZGESHO-CQSZACIVSA-N 0 3 308.378 2.354 20 5 DEBDHN CCNC(=O)N1CC[C@@H](NCc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000873078623 689155160 /nfs/dbraw/zinc/15/51/60/689155160.db2.gz PPBYGHBUBMZLIL-CYBMUJFWSA-N 0 3 320.393 2.105 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000874835807 689510098 /nfs/dbraw/zinc/51/00/98/689510098.db2.gz AOQLYOSHTGAQQR-GJZGRUSLSA-N 0 3 303.362 2.212 20 5 DEBDHN Cc1cc(C(=O)N2CC[C@H]3[C@@H]2CCCN3C)cc([N+](=O)[O-])c1 ZINC000874845053 689515698 /nfs/dbraw/zinc/51/56/98/689515698.db2.gz UKDKEZAHERSBOV-GJZGRUSLSA-N 0 3 303.362 2.212 20 5 DEBDHN COCC[C@H](NC1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccco1 ZINC000877183566 690039574 /nfs/dbraw/zinc/03/95/74/690039574.db2.gz GVAVPOONMHHEHC-YIZWMMSDSA-N 0 3 320.349 2.455 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000931262350 694351275 /nfs/dbraw/zinc/35/12/75/694351275.db2.gz UFHIAYHTIPELQZ-PWSUYJOCSA-N 0 3 322.365 2.208 20 5 DEBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@H](O)CC1(O)CCCC1 ZINC000878599174 690450959 /nfs/dbraw/zinc/45/09/59/690450959.db2.gz VODQASPFSSERTF-OAHLLOKOSA-N 0 3 322.405 2.125 20 5 DEBDHN C[C@@](CO)(NC[C@@H](O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000879273732 690607927 /nfs/dbraw/zinc/60/79/27/690607927.db2.gz YDBDTBBZVFYRLM-SJORKVTESA-N 0 3 316.357 2.126 20 5 DEBDHN COC(=O)C[C@@](C)(NCc1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000879440288 690642024 /nfs/dbraw/zinc/64/20/24/690642024.db2.gz AWFODSXCUOFACR-MRXNPFEDSA-N 0 3 322.361 2.425 20 5 DEBDHN CN(C(=O)CN1C[C@@H]2CC=CC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000879528770 690663318 /nfs/dbraw/zinc/66/33/18/690663318.db2.gz AHTCJSPUPHGMKH-OKILXGFUSA-N 0 3 315.373 2.456 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](c2nccs2)C1 ZINC000880323698 690870116 /nfs/dbraw/zinc/87/01/16/690870116.db2.gz UXANLTACGDNCMC-LLVKDONJSA-N 0 3 307.379 2.046 20 5 DEBDHN CC1(C)Nc2ccccc2[C@@H]1NCCn1cc([N+](=O)[O-])cn1 ZINC000883464444 691517528 /nfs/dbraw/zinc/51/75/28/691517528.db2.gz NJCSQIIPALLWGZ-AWEZNQCLSA-N 0 3 301.350 2.326 20 5 DEBDHN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H](N)CC1CC1 ZINC000884062615 691644515 /nfs/dbraw/zinc/64/45/15/691644515.db2.gz WCSOBUDYYIVSCG-ZDUSSCGKSA-N 0 3 311.769 2.334 20 5 DEBDHN CN(CCO)CCNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000884825425 691803232 /nfs/dbraw/zinc/80/32/32/691803232.db2.gz VZHXUSUSMYKREM-UHFFFAOYSA-N 0 3 308.165 2.238 20 5 DEBDHN O=[N+]([O-])c1ccccc1CNC[C@H](O)Cc1ccccc1F ZINC000886232406 692031735 /nfs/dbraw/zinc/03/17/35/692031735.db2.gz VUTZZCQOKNXQSW-CQSZACIVSA-N 0 3 304.321 2.427 20 5 DEBDHN COC[C@@H](NCc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CCCOC1 ZINC000886916250 692230222 /nfs/dbraw/zinc/23/02/22/692230222.db2.gz RAJCAXHSWZWRGI-TZMCWYRMSA-N 0 3 312.341 2.265 20 5 DEBDHN CC(C)[C@H](C(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-])N(C)C ZINC000887403259 692356034 /nfs/dbraw/zinc/35/60/34/692356034.db2.gz SHATWLFPFVHSSN-SWLSCSKDSA-N 0 3 307.394 2.401 20 5 DEBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCCOC1CCOCC1 ZINC000927076927 693549749 /nfs/dbraw/zinc/54/97/49/693549749.db2.gz OUSZGPUTTIBVFI-OAHLLOKOSA-N 0 3 306.362 2.367 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)c1C ZINC001332758427 1149889167 /nfs/dbraw/zinc/88/91/67/1149889167.db2.gz XNTKTDLLQDOAHL-RISCZKNCSA-N 0 3 317.389 2.424 20 5 DEBDHN CCN1C[C@H](NC(=O)c2cccc(OC)c2[N+](=O)[O-])C(C)(C)C1 ZINC001472058579 1151859965 /nfs/dbraw/zinc/85/99/65/1151859965.db2.gz NBPLMIBIZGLSHA-ZDUSSCGKSA-N 0 3 321.377 2.064 20 5 DEBDHN C[C@@H]1CN(C)[C@@H](C)CN1c1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001164632920 719164138 /nfs/dbraw/zinc/16/41/38/719164138.db2.gz FTXUKKIIENTCKS-WDEREUQCSA-N 0 3 301.350 2.067 20 5 DEBDHN CCN1C[C@@H]2C[C@H]1CN2[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170355409 786916982 /nfs/dbraw/zinc/91/69/82/786916982.db2.gz DGDDGRSKCCZWTE-SNPRPXQTSA-N 0 3 319.405 2.313 20 5 DEBDHN Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H]2CCN2C2CCCC2)n1 ZINC001131914946 787807793 /nfs/dbraw/zinc/80/77/93/787807793.db2.gz FKSHKSMCQISAPA-ZDUSSCGKSA-N 0 3 318.377 2.045 20 5 DEBDHN C=C/C(C)=C/CC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001132492348 788104213 /nfs/dbraw/zinc/10/42/13/788104213.db2.gz CAKLDJCUILLOCC-YIXHJXPBSA-N 0 3 303.362 2.323 20 5 DEBDHN Cc1coc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)c1 ZINC001132641203 788147937 /nfs/dbraw/zinc/14/79/37/788147937.db2.gz UVWOSHGCTJMOOA-UHFFFAOYSA-N 0 3 303.318 2.016 20 5 DEBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)C1(F)CCCCC1 ZINC001146655286 791327456 /nfs/dbraw/zinc/32/74/56/791327456.db2.gz IBDDYLXDAHWJDU-UHFFFAOYSA-N 0 3 323.368 2.473 20 5 DEBDHN CN1CCCN([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1=O ZINC001172916879 793531755 /nfs/dbraw/zinc/53/17/55/793531755.db2.gz UJUUSCGGSFTYGW-HNNXBMFYSA-N 0 3 317.389 2.006 20 5 DEBDHN Cc1cc(NCC[C@H](O)C2CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC001120070534 795401773 /nfs/dbraw/zinc/40/17/73/795401773.db2.gz ISHVLMMDZAFHKX-INIZCTEOSA-N 0 3 301.346 2.446 20 5 DEBDHN C[C@H](C(=O)NC[C@@H]1CCCCN1C)c1ccc([N+](=O)[O-])cc1F ZINC001120727264 795520305 /nfs/dbraw/zinc/52/03/05/795520305.db2.gz TYSZENAYNAUAOI-AAEUAGOBSA-N 0 3 323.368 2.438 20 5 DEBDHN CC(COC(=O)[C@H]1CCCCN1Cc1cccc(F)c1)[N+](=O)[O-] ZINC001122950923 795826218 /nfs/dbraw/zinc/82/62/18/795826218.db2.gz PBOXYCZZNJICOM-SWLSCSKDSA-N 0 3 324.352 2.389 20 5 DEBDHN C/C(=C\C(=O)NCCNCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001124217607 796046357 /nfs/dbraw/zinc/04/63/57/796046357.db2.gz TYNGXABNZBETOK-ZRDIBKRKSA-N 0 3 303.362 2.157 20 5 DEBDHN Cc1[nH]ccc1C(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001156359761 797984156 /nfs/dbraw/zinc/98/41/56/797984156.db2.gz DWXAGWVPJZMWPC-UHFFFAOYSA-N 0 3 316.361 2.141 20 5 DEBDHN CN(C)C1(C)CN(c2ccc(-c3ccc([N+](=O)[O-])cc3)nn2)C1 ZINC001165120064 799655741 /nfs/dbraw/zinc/65/57/41/799655741.db2.gz GSWKWAMIUTUQLJ-UHFFFAOYSA-N 0 3 313.361 2.192 20 5 DEBDHN C[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1cnn(CC2CCC2)c1 ZINC000934555433 800388442 /nfs/dbraw/zinc/38/84/42/800388442.db2.gz HDGRGACSIDMZPF-GFCCVEGCSA-N 0 3 318.381 2.139 20 5 DEBDHN C[C@H](OCCCN1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC001206588754 800896053 /nfs/dbraw/zinc/89/60/53/800896053.db2.gz ADGMHDDKOMKPMT-AWEZNQCLSA-N 0 3 307.394 2.310 20 5 DEBDHN O=[N+]([O-])c1cccc(-c2nc(-c3ccc4c(n3)CCNC4)no2)c1 ZINC001215322517 801834862 /nfs/dbraw/zinc/83/48/62/801834862.db2.gz SNLZZHHHBZCBNZ-UHFFFAOYSA-N 0 3 323.312 2.353 20 5 DEBDHN O=[N+]([O-])c1c([O-])ccnc1O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001225662421 802997841 /nfs/dbraw/zinc/99/78/41/802997841.db2.gz SQFHFTXGNAITDT-ZDUSSCGKSA-N 0 3 315.329 2.349 20 5 DEBDHN O=[N+]([O-])c1c([O-])ccnc1O[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001225662421 802997844 /nfs/dbraw/zinc/99/78/44/802997844.db2.gz SQFHFTXGNAITDT-ZDUSSCGKSA-N 0 3 315.329 2.349 20 5 DEBDHN COCCN1CCC(Oc2ccc([N+](=O)[O-])c(Cl)n2)CC1 ZINC001228933416 803433243 /nfs/dbraw/zinc/43/32/43/803433243.db2.gz FDKKTBSDRTYGIT-UHFFFAOYSA-N 0 3 315.757 2.133 20 5 DEBDHN C[C@H]1CCCC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001603889544 1070137040 /nfs/dbraw/zinc/13/70/40/1070137040.db2.gz CMBAUARELPTGGC-NSHDSACASA-N 0 3 316.365 2.397 20 5 DEBDHN C[C@H]1CCCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001603889544 1070137044 /nfs/dbraw/zinc/13/70/44/1070137044.db2.gz CMBAUARELPTGGC-NSHDSACASA-N 0 3 316.365 2.397 20 5 DEBDHN C[C@H]1CCCC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001603889544 1070137048 /nfs/dbraw/zinc/13/70/48/1070137048.db2.gz CMBAUARELPTGGC-NSHDSACASA-N 0 3 316.365 2.397 20 5 DEBDHN C[C@H]1CCCC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001603889544 1070137053 /nfs/dbraw/zinc/13/70/53/1070137053.db2.gz CMBAUARELPTGGC-NSHDSACASA-N 0 3 316.365 2.397 20 5 DEBDHN CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603999405 1070171409 /nfs/dbraw/zinc/17/14/09/1070171409.db2.gz WXAPMZKCQVYBOO-NXEZZACHSA-N 0 3 304.354 2.299 20 5 DEBDHN CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603999405 1070171411 /nfs/dbraw/zinc/17/14/11/1070171411.db2.gz WXAPMZKCQVYBOO-NXEZZACHSA-N 0 3 304.354 2.299 20 5 DEBDHN Cc1nn(C)c(C)c1[C@H](O)CNCc1cccc([N+](=O)[O-])c1C ZINC001474296490 1060845604 /nfs/dbraw/zinc/84/56/04/1060845604.db2.gz CSTOPSHMWYKFPL-OAHLLOKOSA-N 0 3 318.377 2.077 20 5 DEBDHN CC(C)CC[C@H](N)C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC001575556110 1066350517 /nfs/dbraw/zinc/35/05/17/1066350517.db2.gz VTJSHKSTGPICAH-AWEZNQCLSA-N 0 3 307.394 2.359 20 5 DEBDHN CCOc1ccc(C(=O)N[C@@H]2CN(C)CC2(C)C)cc1[N+](=O)[O-] ZINC001635644364 1078455716 /nfs/dbraw/zinc/45/57/16/1078455716.db2.gz PSGLNRPOPCDSLX-CQSZACIVSA-N 0 3 321.377 2.064 20 5 DEBDHN CCN1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2F)C(C)(C)C1 ZINC001639266425 1078604575 /nfs/dbraw/zinc/60/45/75/1078604575.db2.gz LCLFBACWNZCZPS-CYBMUJFWSA-N 0 3 309.341 2.194 20 5 DEBDHN Cc1ccnc(N2CCN[C@@H](c3ccc(O)cc3)C2)c1[N+](=O)[O-] ZINC001640350718 1078656411 /nfs/dbraw/zinc/65/64/11/1078656411.db2.gz OLRPAYHBLXGYNG-CQSZACIVSA-N 0 3 314.345 2.155 20 5 DEBDHN O=[N+]([O-])c1cccc(CNCc2cccc(-n3cncn3)c2)c1 ZINC001560345234 1075137594 /nfs/dbraw/zinc/13/75/94/1075137594.db2.gz KRPIXLUHFLZNJD-UHFFFAOYSA-N 0 3 309.329 2.465 20 5 DEBDHN C[C@@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@@H]1C ZINC001590273186 1076605109 /nfs/dbraw/zinc/60/51/09/1076605109.db2.gz WGSBOOGMXRBJBM-MNOVXSKESA-N 0 3 316.365 2.253 20 5 DEBDHN C[C@@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@@H]1C ZINC001590273186 1076605112 /nfs/dbraw/zinc/60/51/12/1076605112.db2.gz WGSBOOGMXRBJBM-MNOVXSKESA-N 0 3 316.365 2.253 20 5 DEBDHN C[C@@H]1C[N@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@@H](C)[C@H]1C ZINC001590309996 1076609258 /nfs/dbraw/zinc/60/92/58/1076609258.db2.gz RRNWBFRVYWPZME-VWYCJHECSA-N 0 3 316.365 2.251 20 5 DEBDHN C[C@@H]1C[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@@H](C)[C@H]1C ZINC001590309996 1076609259 /nfs/dbraw/zinc/60/92/59/1076609259.db2.gz RRNWBFRVYWPZME-VWYCJHECSA-N 0 3 316.365 2.251 20 5 DEBDHN C[C@@H]1C[N@H+](Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@@H](C)[C@H]1C ZINC001590309996 1076609262 /nfs/dbraw/zinc/60/92/62/1076609262.db2.gz RRNWBFRVYWPZME-VWYCJHECSA-N 0 3 316.365 2.251 20 5 DEBDHN C[C@@H]1C[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@@H](C)[C@H]1C ZINC001590309996 1076609265 /nfs/dbraw/zinc/60/92/65/1076609265.db2.gz RRNWBFRVYWPZME-VWYCJHECSA-N 0 3 316.365 2.251 20 5 DEBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1C[N@@H+]1CCCC12CCC2 ZINC001593467251 1077006217 /nfs/dbraw/zinc/00/62/17/1077006217.db2.gz OLRSHTRMUGUPCL-UHFFFAOYSA-N 0 3 314.349 2.293 20 5 DEBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1C[N@H+]1CCCC12CCC2 ZINC001593467251 1077006222 /nfs/dbraw/zinc/00/62/22/1077006222.db2.gz OLRSHTRMUGUPCL-UHFFFAOYSA-N 0 3 314.349 2.293 20 5 DEBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1C[N@@H+]1CCCC12CCC2 ZINC001593467251 1077006226 /nfs/dbraw/zinc/00/62/26/1077006226.db2.gz OLRSHTRMUGUPCL-UHFFFAOYSA-N 0 3 314.349 2.293 20 5 DEBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1C[N@H+]1CCCC12CCC2 ZINC001593467251 1077006227 /nfs/dbraw/zinc/00/62/27/1077006227.db2.gz OLRSHTRMUGUPCL-UHFFFAOYSA-N 0 3 314.349 2.293 20 5 DEBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@@H]2COC[C@@H]2O)s1 ZINC001651407560 1079808053 /nfs/dbraw/zinc/80/80/53/1079808053.db2.gz HRRJOYFDXSVWON-OCCSQVGLSA-N 0 3 320.370 2.173 20 5 DEBDHN O=[N+]([O-])c1ccc(OCCN2CC[C@H](c3ncccn3)C2)cc1 ZINC001654915810 1079981565 /nfs/dbraw/zinc/98/15/65/1079981565.db2.gz QVMNPHIWBINBMI-ZDUSSCGKSA-N 0 3 314.345 2.253 20 5 DEBDHN CN(C)C(=O)CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001656423252 1080087702 /nfs/dbraw/zinc/08/77/02/1080087702.db2.gz KHLLSNYQBGOBNS-UHFFFAOYSA-N 0 3 317.345 2.423 20 5 DEBDHN CC(C)C1(O)CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001660626522 1080368694 /nfs/dbraw/zinc/36/86/94/1080368694.db2.gz QGNNDQHTDHZFJA-OAHLLOKOSA-N 0 3 308.378 2.111 20 5 DEBDHN CC(C)(F)C(=O)NCC1(NCc2cccc([N+](=O)[O-])c2)CCC1 ZINC001273032528 1086046752 /nfs/dbraw/zinc/04/67/52/1086046752.db2.gz UNMGCHIUWQYILU-UHFFFAOYSA-N 0 3 323.368 2.471 20 5 DEBDHN CC(C)(C)N1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC001321783646 1141342686 /nfs/dbraw/zinc/34/26/86/1141342686.db2.gz NSVOTERDEGULKH-UHFFFAOYSA-N 0 3 303.366 2.163 20 5 DEBDHN C[C@@H](C(=O)NC[C@@H]1CCCCN1C)c1cccc([N+](=O)[O-])c1 ZINC001337478234 1142759299 /nfs/dbraw/zinc/75/92/99/1142759299.db2.gz CXARBGYJYMIGLI-DOMZBBRYSA-N 0 3 305.378 2.299 20 5 DEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](CO)c1cccnc1 ZINC001254549882 1143243797 /nfs/dbraw/zinc/24/37/97/1143243797.db2.gz YFHHAWYYYNAQOP-WFASDCNBSA-N 0 3 301.346 2.244 20 5 DEBDHN COC(=O)C[C@H]1CCN([C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254570107 1143254903 /nfs/dbraw/zinc/25/49/03/1143254903.db2.gz MXPIFKSJGOCJCG-QWHCGFSZSA-N 0 3 306.362 2.411 20 5 DEBDHN O=C(CN[C@H]1Cc2ccc([N+](=O)[O-])cc2C1)Nc1ccccc1 ZINC001254576084 1143257092 /nfs/dbraw/zinc/25/70/92/1143257092.db2.gz UQAVBEAPKMRFDO-HNNXBMFYSA-N 0 3 311.341 2.290 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CCN3CCCC[C@H]3C1)C2 ZINC001254600779 1143274030 /nfs/dbraw/zinc/27/40/30/1143274030.db2.gz RLZCUCVMHZYYNN-IRXDYDNUSA-N 0 3 301.390 2.232 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCCN2C)c1C ZINC001262652267 1144324981 /nfs/dbraw/zinc/32/49/81/1144324981.db2.gz BFKRMXISQLLQTE-ZDUSSCGKSA-N 0 3 305.378 2.426 20 5 DEBDHN CCN(CCCNC(=O)C1CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001265096678 1144642796 /nfs/dbraw/zinc/64/27/96/1144642796.db2.gz IUSDLEVDCHCOEJ-UHFFFAOYSA-N 0 3 305.378 2.333 20 5 DEBDHN CCN1C[C@H](NC(=O)c2ccc(C)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC001304040942 1147343873 /nfs/dbraw/zinc/34/38/73/1147343873.db2.gz CYFANBUWMGPXNF-AWEZNQCLSA-N 0 3 305.378 2.363 20 5 DEBDHN CCOC1CC(O)(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000278437404 214153377 /nfs/dbraw/zinc/15/33/77/214153377.db2.gz KAHLBYSHQYADAG-YGONEPDPSA-N 0 3 308.378 2.484 20 5 DEBDHN Cn1nccc1N1CCC[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000278481919 214182088 /nfs/dbraw/zinc/18/20/88/214182088.db2.gz JOZSQUPENWJMOI-CQSZACIVSA-N 0 3 315.377 2.087 20 5 DEBDHN Cc1ccc([C@@H](C)NCC2(N3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000278554480 214233811 /nfs/dbraw/zinc/23/38/11/214233811.db2.gz WBSSRGMWXLLTEV-CQSZACIVSA-N 0 3 319.405 2.419 20 5 DEBDHN CN1CC[C@H]2CCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000296817047 529807521 /nfs/dbraw/zinc/80/75/21/529807521.db2.gz QPFLXTZSPJLVTE-HZMBPMFUSA-N 0 3 323.780 2.414 20 5 DEBDHN C[C@@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1)C1=CCN(C)CC1 ZINC000272736536 210140801 /nfs/dbraw/zinc/14/08/01/210140801.db2.gz LNXFHHFRFHXIKN-GFCCVEGCSA-N 0 3 318.377 2.044 20 5 DEBDHN O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@@H]1CCN(C2CC2)C1 ZINC000331378759 233234284 /nfs/dbraw/zinc/23/42/84/233234284.db2.gz HYSMKRSRLRTHLG-SECBINFHSA-N 0 3 308.313 2.092 20 5 DEBDHN C[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)N1CCC(C)CC1 ZINC000173285677 186171965 /nfs/dbraw/zinc/17/19/65/186171965.db2.gz QYAJYLRJFTYMGJ-AWEZNQCLSA-N 0 3 319.405 2.374 20 5 DEBDHN Cc1cc(C(=O)N2CC[C@@H](N3CCCC3)C2)cc([N+](=O)[O-])c1 ZINC000171453059 186162482 /nfs/dbraw/zinc/16/24/82/186162482.db2.gz GUZQGAFPMXTNTP-CQSZACIVSA-N 0 3 303.362 2.214 20 5 DEBDHN CCN(CCCO)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000266850688 186359466 /nfs/dbraw/zinc/35/94/66/186359466.db2.gz CZXVWVFMYXZEHF-UHFFFAOYSA-N 0 3 319.361 2.497 20 5 DEBDHN C[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)N1CCC[C@H](C)C1 ZINC000173097464 198184784 /nfs/dbraw/zinc/18/47/84/198184784.db2.gz JAJCIGWDAACMIR-KBPBESRZSA-N 0 3 319.405 2.374 20 5 DEBDHN COc1ccc(C(=O)N[C@@H](C)CN2CCCCC2)cc1[N+](=O)[O-] ZINC000024802263 354068163 /nfs/dbraw/zinc/06/81/63/354068163.db2.gz NYUGPQAKMAXSSX-LBPRGKRZSA-N 0 3 321.377 2.208 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)CN1CCCCC1 ZINC000024802837 354068202 /nfs/dbraw/zinc/06/82/02/354068202.db2.gz UKFTUKVSNYNVKI-GFCCVEGCSA-N 0 3 321.377 2.208 20 5 DEBDHN CC(C)[C@H](C)N(C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000030149881 354120709 /nfs/dbraw/zinc/12/07/09/354120709.db2.gz OSAAVQHXXYBPKP-LBPRGKRZSA-N 0 3 305.378 2.460 20 5 DEBDHN CC(C)C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)N1CCCC1 ZINC000042558777 354200293 /nfs/dbraw/zinc/20/02/93/354200293.db2.gz VDEFSJXMNCGCPQ-LBPRGKRZSA-N 0 3 309.366 2.428 20 5 DEBDHN CC(C)[C@@H](CNc1ccccc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000044406518 354235641 /nfs/dbraw/zinc/23/56/41/354235641.db2.gz JWNSEFRLTJMOAN-MRXNPFEDSA-N 0 3 306.410 2.279 20 5 DEBDHN Cc1ccc(C(=O)N2CCCC[C@@H]2CN(C)C)cc1[N+](=O)[O-] ZINC000066947402 354740665 /nfs/dbraw/zinc/74/06/65/354740665.db2.gz RGNCAGINQVCQRZ-CQSZACIVSA-N 0 3 305.378 2.460 20 5 DEBDHN CC(=O)c1ccc(NCC2(N(C)C)CCOCC2)c([N+](=O)[O-])c1 ZINC000072947644 354931875 /nfs/dbraw/zinc/93/18/75/354931875.db2.gz XBIQZSXCFJVLJD-UHFFFAOYSA-N 0 3 321.377 2.320 20 5 DEBDHN CCC[C@H](N)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000236815567 202023665 /nfs/dbraw/zinc/02/36/65/202023665.db2.gz LPXUQJBMAGFWIC-HNNXBMFYSA-N 0 3 321.377 2.092 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)Cc1cnc[nH]1 ZINC000595595368 358495444 /nfs/dbraw/zinc/49/54/44/358495444.db2.gz VLZGJEUKEIKVRQ-UHFFFAOYSA-N 0 3 317.349 2.087 20 5 DEBDHN Cc1c(NC(=O)CCN(C)Cc2cnc[nH]2)cccc1[N+](=O)[O-] ZINC000595594573 358495259 /nfs/dbraw/zinc/49/52/59/358495259.db2.gz NBPHZGGMUNIHDW-UHFFFAOYSA-N 0 3 317.349 2.087 20 5 DEBDHN C[C@H](CN(C)CCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000090525400 355563020 /nfs/dbraw/zinc/56/30/20/355563020.db2.gz LXWUDILOWSHSTN-CQSZACIVSA-N 0 3 315.373 2.492 20 5 DEBDHN CCN1CCC[C@@H]1CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000184768693 356197153 /nfs/dbraw/zinc/19/71/53/356197153.db2.gz LBZUSQUINKYLAY-WCQYABFASA-N 0 3 323.368 2.438 20 5 DEBDHN CCN1CCC[C@@H]1CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000319747533 356441577 /nfs/dbraw/zinc/44/15/77/356441577.db2.gz UCHORYPNCWNISX-SNVBAGLBSA-N 0 3 317.349 2.140 20 5 DEBDHN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCNC2(CCCCC2)C1 ZINC000400688419 356725200 /nfs/dbraw/zinc/72/52/00/356725200.db2.gz YQVUYBVBCKTPGD-UHFFFAOYSA-N 0 3 317.389 2.272 20 5 DEBDHN CCNC(=O)C(C)(C)CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000578765730 356869819 /nfs/dbraw/zinc/86/98/19/356869819.db2.gz LLMMSLJUTTWCSM-CYBMUJFWSA-N 0 3 305.378 2.334 20 5 DEBDHN CC(C)COC[C@H](O)CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581677194 357229955 /nfs/dbraw/zinc/22/99/55/357229955.db2.gz TWPUTVQOZRMKCO-DOMZBBRYSA-N 0 3 308.378 2.205 20 5 DEBDHN CC(C)c1ccc(CNC[C@H]2CCCNC2=O)cc1[N+](=O)[O-] ZINC000590971772 357656146 /nfs/dbraw/zinc/65/61/46/357656146.db2.gz LCMVBTAOENWVAQ-CYBMUJFWSA-N 0 3 305.378 2.334 20 5 DEBDHN NC(=O)c1ccc(CN2CC[C@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000591062099 357668140 /nfs/dbraw/zinc/66/81/40/357668140.db2.gz VHQKXSUBLPHMNH-ZDUSSCGKSA-N 0 3 303.362 2.316 20 5 DEBDHN CCOc1ccc([C@@H](C)NC[C@@H]2CCCNC2=O)cc1[N+](=O)[O-] ZINC000591243900 357694074 /nfs/dbraw/zinc/69/40/74/357694074.db2.gz OBAMAUKLIZWHTP-YPMHNXCESA-N 0 3 321.377 2.170 20 5 DEBDHN CC1(C)CNCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000591678562 357750601 /nfs/dbraw/zinc/75/06/01/357750601.db2.gz YCOCPCSNIQEQQY-UHFFFAOYSA-N 0 3 303.318 2.165 20 5 DEBDHN CC1(C)CN[C@H]1C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000591686538 357751483 /nfs/dbraw/zinc/75/14/83/357751483.db2.gz UDAUWFLQQLIWEZ-AWEZNQCLSA-N 0 3 303.362 2.084 20 5 DEBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCN[C@@H](C(C)C)C2)c1 ZINC000592248424 357856850 /nfs/dbraw/zinc/85/68/50/357856850.db2.gz ZMTFJRXBBPMLJG-CYBMUJFWSA-N 0 3 323.418 2.387 20 5 DEBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593075709 358002167 /nfs/dbraw/zinc/00/21/67/358002167.db2.gz RDWPMPYDUDZQNG-RISCZKNCSA-N 0 3 323.368 2.075 20 5 DEBDHN C[C@@H](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000593593207 358107672 /nfs/dbraw/zinc/10/76/72/358107672.db2.gz DXDKWGQQIMTCBB-LLVKDONJSA-N 0 3 321.352 2.043 20 5 DEBDHN CC[C@@H]1CCCCN1CCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180778961 199207668 /nfs/dbraw/zinc/20/76/68/199207668.db2.gz WBEHMQIRXSZLPC-GFCCVEGCSA-N 0 3 320.393 2.171 20 5 DEBDHN CC(C)(CNCc1csc([N+](=O)[O-])c1)[C@]1(O)CCCOC1 ZINC000594995747 358375091 /nfs/dbraw/zinc/37/50/91/358375091.db2.gz KCZZUBWZFDSTBU-AWEZNQCLSA-N 0 3 314.407 2.314 20 5 DEBDHN CCOC1CC(O)(CN[C@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595042201 358382143 /nfs/dbraw/zinc/38/21/43/358382143.db2.gz JXDVUAZMVALMPU-FFKNIBCLSA-N 0 3 324.377 2.184 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@]1(OC)CCOC1 ZINC000595034279 358381079 /nfs/dbraw/zinc/38/10/79/358381079.db2.gz UGBGGYKYDASISN-XHDPSFHLSA-N 0 3 310.350 2.060 20 5 DEBDHN CS[C@@H]1CN(c2c(Cl)cncc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000596179938 358631805 /nfs/dbraw/zinc/63/18/05/358631805.db2.gz RNVJAFYHSKVIPS-WDEREUQCSA-N 0 3 316.814 2.125 20 5 DEBDHN CCCN1CC[C@H](Nc2ccc(CC(=O)OC)cc2[N+](=O)[O-])C1 ZINC000596517315 358705086 /nfs/dbraw/zinc/70/50/86/358705086.db2.gz MLGUFJZWNFPMKW-ZDUSSCGKSA-N 0 3 321.377 2.207 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000597926110 359044612 /nfs/dbraw/zinc/04/46/12/359044612.db2.gz VQBUVVKDRYQAFC-LLVKDONJSA-N 0 3 321.377 2.206 20 5 DEBDHN C[C@@H](CCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000597993641 359060910 /nfs/dbraw/zinc/06/09/10/359060910.db2.gz UTUUZTJWFULXJU-LBPRGKRZSA-N 0 3 321.377 2.014 20 5 DEBDHN CCCN1CC[C@@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000598343294 359170401 /nfs/dbraw/zinc/17/04/01/359170401.db2.gz STTNGQKUQOYIQC-LLVKDONJSA-N 0 3 316.361 2.290 20 5 DEBDHN CC(C)[C@H]1CN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CCN1 ZINC000598569797 359244812 /nfs/dbraw/zinc/24/48/12/359244812.db2.gz FDQAZOMUDLWRJN-IUODEOHRSA-N 0 3 305.378 2.155 20 5 DEBDHN Cn1cc(CN[C@H]2CCCOC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237679640 202327416 /nfs/dbraw/zinc/32/74/16/202327416.db2.gz AEBOUDRKTZNJQI-AWEZNQCLSA-N 0 3 316.361 2.264 20 5 DEBDHN O=[N+]([O-])c1ccc(NCCN2CCCOCC2)c2ncccc12 ZINC000188498032 200256476 /nfs/dbraw/zinc/25/64/76/200256476.db2.gz JYJLCQMJUVHABN-UHFFFAOYSA-N 0 3 316.361 2.277 20 5 DEBDHN CC1(C)C[C@H](N[C@@H]2COCC[C@H]2O)c2cc([N+](=O)[O-])ccc21 ZINC000601306794 360000630 /nfs/dbraw/zinc/00/06/30/360000630.db2.gz RLDQUPSVGCYTAE-RRFJBIMHSA-N 0 3 306.362 2.057 20 5 DEBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000602292064 360331442 /nfs/dbraw/zinc/33/14/42/360331442.db2.gz LLKGRTBYLFRELS-DGCLKSJQSA-N 0 3 321.352 2.290 20 5 DEBDHN O=[N+]([O-])c1ccc(CCNCc2cc3c(cn2)OCCO3)cc1 ZINC000602544077 360425107 /nfs/dbraw/zinc/42/51/07/360425107.db2.gz IRZLRHGEWCRQJR-UHFFFAOYSA-N 0 3 315.329 2.093 20 5 DEBDHN C[C@@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)N(C)C1CC1 ZINC000602545854 360426310 /nfs/dbraw/zinc/42/63/10/360426310.db2.gz XYMOHDKSSRZIFN-JTQLQIEISA-N 0 3 304.350 2.308 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCS[C@H]2CCCC[C@@H]21 ZINC000602789198 360555685 /nfs/dbraw/zinc/55/56/85/360555685.db2.gz SPAMEGOBCQNEJP-STQMWFEESA-N 0 3 310.423 2.460 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)CCOCc1ccccc1 ZINC000602789279 360555784 /nfs/dbraw/zinc/55/57/84/360555784.db2.gz UDFBWOUKCGTDIG-UHFFFAOYSA-N 0 3 318.377 2.248 20 5 DEBDHN O=[N+]([O-])c1ccccc1CN[C@H]([C@H]1CCCO1)C1(CO)CCC1 ZINC000602891153 360613027 /nfs/dbraw/zinc/61/30/27/360613027.db2.gz LFTJKQCONBDQCX-HZPDHXFCSA-N 0 3 320.389 2.395 20 5 DEBDHN C[C@H](NCc1ccc(CC(N)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000608982596 361276251 /nfs/dbraw/zinc/27/62/51/361276251.db2.gz VSIYXMUFRLHHNZ-LBPRGKRZSA-N 0 3 313.357 2.473 20 5 DEBDHN O=[N+]([O-])c1ccccc1OCCN1CCC2(CCOC2)CC1 ZINC000611177837 361541407 /nfs/dbraw/zinc/54/14/07/361541407.db2.gz MXWGGGRURWRCLH-UHFFFAOYSA-N 0 3 306.362 2.476 20 5 DEBDHN CCN(C[C@@H]1CCOC1)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000611205231 361548666 /nfs/dbraw/zinc/54/86/66/361548666.db2.gz OQGUBSLGYVYUPM-STQMWFEESA-N 0 3 321.377 2.280 20 5 DEBDHN C[C@@H]1CN(C2CC2)C[C@@H]1Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611707520 361662892 /nfs/dbraw/zinc/66/28/92/361662892.db2.gz IUKZFMCPJKXPPV-BMIGLBTASA-N 0 3 313.361 2.433 20 5 DEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CC(=O)N2CCCC[C@H]12 ZINC000449315494 240348223 /nfs/dbraw/zinc/34/82/23/240348223.db2.gz VLBNGUXYHKEEMW-IVMMDQJWSA-N 0 3 317.389 2.269 20 5 DEBDHN CCOc1cc(N[C@H]2CCCN(CCCO)C2)ccc1[N+](=O)[O-] ZINC000450607118 242007820 /nfs/dbraw/zinc/00/78/20/242007820.db2.gz BABHCWWFMOJQQN-AWEZNQCLSA-N 0 3 323.393 2.252 20 5 DEBDHN CO[C@@H]1C[C@@H](NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1(C)C ZINC000451484981 243018000 /nfs/dbraw/zinc/01/80/00/243018000.db2.gz CFMKCMYGXNTJKX-CHWSQXEVSA-N 0 3 321.377 2.245 20 5 DEBDHN C[C@@H](N[C@@H](C)[C@@H](C)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000134209287 296148671 /nfs/dbraw/zinc/14/86/71/296148671.db2.gz KXEKLKIKPFDYCF-BFHYXJOUSA-N 0 3 307.394 2.355 20 5 DEBDHN O=C1CC[C@H](NCc2ccc([N+](=O)[O-])cc2F)C2(CCC2)N1 ZINC000282623871 217133614 /nfs/dbraw/zinc/13/36/14/217133614.db2.gz FSXXXXFUVOWRFD-ZDUSSCGKSA-N 0 3 307.325 2.025 20 5 DEBDHN CC[C@@H](C(=O)NCCc1ccccc1[N+](=O)[O-])N(CC)CC ZINC000266020855 205034167 /nfs/dbraw/zinc/03/41/67/205034167.db2.gz FZGPAMPGFPYLRJ-AWEZNQCLSA-N 0 3 307.394 2.374 20 5 DEBDHN CN(C)C/C=C/C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000266078893 205080863 /nfs/dbraw/zinc/08/08/63/205080863.db2.gz XRLINGJGJQXVES-FNORWQNLSA-N 0 3 305.378 2.152 20 5 DEBDHN Cc1c(NC(=O)[C@H](C)N[C@H](C)[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000266280024 205235772 /nfs/dbraw/zinc/23/57/72/205235772.db2.gz FXTAROUUSSNDFB-AGIUHOORSA-N 0 3 321.377 2.245 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H](C)CN1CCN(C)CC1 ZINC000155004374 291598879 /nfs/dbraw/zinc/59/88/79/291598879.db2.gz GASFAZRFTOPSFV-LSDHHAIUSA-N 0 3 320.437 2.190 20 5 DEBDHN CC(C)[C@@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000492994234 249191792 /nfs/dbraw/zinc/19/17/92/249191792.db2.gz ZQKCCDAPZGNXQB-HWYHOQROSA-N 0 3 317.389 2.407 20 5 DEBDHN COc1ccc(C(=O)N(CCN(C)C)CC(C)C)cc1[N+](=O)[O-] ZINC000104528567 194014356 /nfs/dbraw/zinc/01/43/56/194014356.db2.gz IRJHTUCHPHIMIA-UHFFFAOYSA-N 0 3 323.393 2.263 20 5 DEBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@@H]2[C@H]2CCCO2)c1 ZINC000284781317 218174270 /nfs/dbraw/zinc/17/42/70/218174270.db2.gz NJXBPQWGVJWQQP-BZUAXINKSA-N 0 3 306.362 2.272 20 5 DEBDHN CSc1ccc(C(=O)N2CCC[C@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000106363558 194200709 /nfs/dbraw/zinc/20/07/09/194200709.db2.gz PPZXUSXWUITYRK-LBPRGKRZSA-N 0 3 323.418 2.483 20 5 DEBDHN CN1CC=C(CNC(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000271923986 209328475 /nfs/dbraw/zinc/32/84/75/209328475.db2.gz KULFDTLFCMPUNE-UHFFFAOYSA-N 0 3 321.402 2.065 20 5 DEBDHN CCN1CCN([C@@H](C)CNc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000059389357 184137656 /nfs/dbraw/zinc/13/76/56/184137656.db2.gz CEAPAGIDEYSBOI-LBPRGKRZSA-N 0 3 310.373 2.172 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCCN(C)CC1 ZINC000120015164 195079751 /nfs/dbraw/zinc/07/97/51/195079751.db2.gz KRDYBDGOBSWWGR-UHFFFAOYSA-N 0 3 306.366 2.381 20 5 DEBDHN O=[N+]([O-])c1ccccc1N1CCN(C[C@@H]2CCSC2)CC1 ZINC000495047786 285163601 /nfs/dbraw/zinc/16/36/01/285163601.db2.gz IGCHJTITZDGAOA-ZDUSSCGKSA-N 0 3 307.419 2.470 20 5 DEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCc1ccc(F)cc1 ZINC000560269403 291925806 /nfs/dbraw/zinc/92/58/06/291925806.db2.gz FYHURAYFYXKILP-CQSZACIVSA-N 0 3 320.320 2.263 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1CN1CCN(C)C[C@@H]1C(C)C ZINC000330991463 533218846 /nfs/dbraw/zinc/21/88/46/533218846.db2.gz NCSNDNORKDWHBR-OAHLLOKOSA-N 0 3 307.394 2.375 20 5 DEBDHN COCCN(CCN(C)C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000289478940 221004428 /nfs/dbraw/zinc/00/44/28/221004428.db2.gz QENRKSWXNCCCRS-UHFFFAOYSA-N 0 3 315.801 2.258 20 5 DEBDHN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N(C)CCN(C)C ZINC000297420832 533311498 /nfs/dbraw/zinc/31/14/98/533311498.db2.gz HDGZBARUNLPPDA-UHFFFAOYSA-N 0 3 304.350 2.149 20 5 DEBDHN C[C@@H](N[C@@H](CO)Cc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294525626 533512796 /nfs/dbraw/zinc/51/27/96/533512796.db2.gz ZMNSLNXBIMVMEA-IUODEOHRSA-N 0 3 315.373 2.431 20 5 DEBDHN C[C@H](NC[C@H]1CN(C2CC2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000358183250 133126420 /nfs/dbraw/zinc/12/64/20/133126420.db2.gz UVZAJUFTCQGDOX-LRDDRELGSA-N 0 3 305.378 2.109 20 5 DEBDHN CCCCN(C)CCNC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000360398107 133179749 /nfs/dbraw/zinc/17/97/49/133179749.db2.gz ZNSKHICUFRDHMS-UHFFFAOYSA-N 0 3 324.381 2.457 20 5 DEBDHN COc1ccc(NC(=O)N[C@H]2CCN(C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000360397910 133179794 /nfs/dbraw/zinc/17/97/94/133179794.db2.gz ZAVOHSDZIKVVEN-PWSUYJOCSA-N 0 3 322.365 2.208 20 5 DEBDHN O=[N+]([O-])c1ccn(CCN2CCC(Cc3cccnc3)CC2)n1 ZINC000362643379 133243117 /nfs/dbraw/zinc/24/31/17/133243117.db2.gz WBOFNZRKIDRVAP-UHFFFAOYSA-N 0 3 315.377 2.141 20 5 DEBDHN Cc1cc(C(=O)N(C)[C@H]2CCN(C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000247466302 145137666 /nfs/dbraw/zinc/13/76/66/145137666.db2.gz RLSTXUALRNRYRZ-OCCSQVGLSA-N 0 3 305.378 2.315 20 5 DEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCc2cccc(F)c2)c1 ZINC000550190923 285867478 /nfs/dbraw/zinc/86/74/78/285867478.db2.gz VGRPPFMQLCRHLR-HNNXBMFYSA-N 0 3 320.320 2.263 20 5 DEBDHN O=[N+]([O-])c1cc(CN2CCNC[C@H]2c2ccncc2)cs1 ZINC000262057743 145257795 /nfs/dbraw/zinc/25/77/95/145257795.db2.gz QTVKHEYDXRLCFZ-ZDUSSCGKSA-N 0 3 304.375 2.198 20 5 DEBDHN Cc1c(CNC(=O)[C@H]2NCCCC2(C)C)cccc1[N+](=O)[O-] ZINC000262436786 145284324 /nfs/dbraw/zinc/28/43/24/145284324.db2.gz GKOBHKZDKVOTQP-CQSZACIVSA-N 0 3 305.378 2.298 20 5 DEBDHN O=[N+]([O-])c1cc(F)c(NC[C@H]2CN3CCC[C@H]3CO2)c(F)c1 ZINC000318076717 145367759 /nfs/dbraw/zinc/36/77/59/145367759.db2.gz GGMPFUCDEQXRJD-ONGXEEELSA-N 0 3 313.304 2.148 20 5 DEBDHN CC[C@H](NCC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000348343447 146258119 /nfs/dbraw/zinc/25/81/19/146258119.db2.gz HKVOQVDKVDABSG-GXTWGEPZSA-N 0 3 321.377 2.389 20 5 DEBDHN Cc1c(CNC(=O)NC[C@@H](C)N(C)C2CC2)cccc1[N+](=O)[O-] ZINC000358376916 147122359 /nfs/dbraw/zinc/12/23/59/147122359.db2.gz BIEKKSLEOJLTKP-LLVKDONJSA-N 0 3 320.393 2.185 20 5 DEBDHN CCOc1ccc([C@H](C)NC[C@@]2(OC)CCOC2)cc1[N+](=O)[O-] ZINC000359414959 147324252 /nfs/dbraw/zinc/32/42/52/147324252.db2.gz IGMAQDXYVLHZLJ-LRDDRELGSA-N 0 3 324.377 2.450 20 5 DEBDHN COC(=O)CCN(CCOc1ccccc1[N+](=O)[O-])C(C)C ZINC000113507938 401780350 /nfs/dbraw/zinc/78/03/50/401780350.db2.gz JKLPVEWNFJARMY-UHFFFAOYSA-N 0 3 310.350 2.247 20 5 DEBDHN CN(CC1CCN(C)CC1)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000077563603 401820543 /nfs/dbraw/zinc/82/05/43/401820543.db2.gz SOJFCFHTLQFGMD-UHFFFAOYSA-N 0 3 309.341 2.148 20 5 DEBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000115636446 401834240 /nfs/dbraw/zinc/83/42/40/401834240.db2.gz INBLDQVRCXTDMB-GFCCVEGCSA-N 0 3 306.366 2.400 20 5 DEBDHN CCN1CCC(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000037976714 401919003 /nfs/dbraw/zinc/91/90/03/401919003.db2.gz FCEXQSUPIRTYDZ-UHFFFAOYSA-N 0 3 311.769 2.462 20 5 DEBDHN CCCCN(C)CCNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000122591741 402086068 /nfs/dbraw/zinc/08/60/68/402086068.db2.gz RQNDDAJHLFWZSC-UHFFFAOYSA-N 0 3 307.394 2.294 20 5 DEBDHN CC(C)CN(CCN(C)C)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000058885832 402103167 /nfs/dbraw/zinc/10/31/67/402103167.db2.gz KWMDJHYWNZCWIR-UHFFFAOYSA-N 0 3 323.393 2.020 20 5 DEBDHN CC(C)N(CCN(C)C)C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000151950549 402067715 /nfs/dbraw/zinc/06/77/15/402067715.db2.gz ZVTJHFNRKSFFFN-UHFFFAOYSA-N 0 3 311.357 2.075 20 5 DEBDHN CCOC(=O)[C@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000067386383 402158394 /nfs/dbraw/zinc/15/83/94/402158394.db2.gz IAJANBPAQPSONV-ZDUSSCGKSA-N 0 3 322.361 2.249 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(C(=O)N(C)CC2CCN(C)CC2)c1 ZINC000103450367 402188562 /nfs/dbraw/zinc/18/85/62/402188562.db2.gz QTWFQFLLDQADFC-UHFFFAOYSA-N 0 3 321.377 2.017 20 5 DEBDHN CN1CCC[C@@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000108344094 402250523 /nfs/dbraw/zinc/25/05/23/402250523.db2.gz ULAUJUGWCSPMOM-JTQLQIEISA-N 0 3 311.769 2.320 20 5 DEBDHN CN(CCN1CCCC1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000070069786 402256831 /nfs/dbraw/zinc/25/68/31/402256831.db2.gz BVNOFLFHTPALJP-UHFFFAOYSA-N 0 3 311.769 2.416 20 5 DEBDHN C[C@@H]1CCCN(CCNC(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000068937132 402209422 /nfs/dbraw/zinc/20/94/22/402209422.db2.gz AZLFYEABAVHYRH-LLVKDONJSA-N 0 3 309.341 2.196 20 5 DEBDHN CN1CC[C@H](CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000234350448 402359964 /nfs/dbraw/zinc/35/99/64/402359964.db2.gz XOFBHXIEPYCAII-MRVPVSSYSA-N 0 3 304.272 2.372 20 5 DEBDHN Cc1ccc([C@@H](C)NC(=O)C[C@@H]2CSCCN2)cc1[N+](=O)[O-] ZINC000237627494 402415866 /nfs/dbraw/zinc/41/58/66/402415866.db2.gz HXJJVQRWFDXRFF-DGCLKSJQSA-N 0 3 323.418 2.176 20 5 DEBDHN CCO[C@H]1C[C@@](CO)(NCc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000186584729 402444697 /nfs/dbraw/zinc/44/46/97/402444697.db2.gz LJVSCPJTKVDKJX-HOCLYGCPSA-N 0 3 308.378 2.251 20 5 DEBDHN C[C@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])N(C)C1CC1 ZINC000171698287 402611407 /nfs/dbraw/zinc/61/14/07/402611407.db2.gz RJWYPLHTPWEWPW-GFCCVEGCSA-N 0 3 320.393 2.219 20 5 DEBDHN CN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C1CCN(C)CC1 ZINC000255566952 402691450 /nfs/dbraw/zinc/69/14/50/402691450.db2.gz FJBJDMSAAQYERW-YVMONPNESA-N 0 3 303.362 2.161 20 5 DEBDHN O=C(C1CCN(C2CC2)CC1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000192578274 402738341 /nfs/dbraw/zinc/73/83/41/402738341.db2.gz PKHQAYQQYYVWOS-UHFFFAOYSA-N 0 3 315.373 2.358 20 5 DEBDHN COCC[C@@](C)(O)CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000183780156 402796984 /nfs/dbraw/zinc/79/69/84/402796984.db2.gz QEKWXWPWBPBSCO-CYBMUJFWSA-N 0 3 302.758 2.125 20 5 DEBDHN O=[N+]([O-])c1cccc(N2CCN(C[C@H]3CCSC3)CC2)c1 ZINC000278409489 402864525 /nfs/dbraw/zinc/86/45/25/402864525.db2.gz GYKUCBYKWMMMMF-CYBMUJFWSA-N 0 3 307.419 2.470 20 5 DEBDHN C[C@@H]1CN(C2CCOCC2)CCN1c1ccccc1[N+](=O)[O-] ZINC000278828040 402875693 /nfs/dbraw/zinc/87/56/93/402875693.db2.gz QHFWAONJDNJAPJ-CYBMUJFWSA-N 0 3 305.378 2.284 20 5 DEBDHN CC[C@H](C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])N(C)C ZINC000272466536 402940849 /nfs/dbraw/zinc/94/08/49/402940849.db2.gz LPKFNRXZNKIZGL-GFCCVEGCSA-N 0 3 313.785 2.247 20 5 DEBDHN C[C@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@@H](C)CN1 ZINC000272588487 402956271 /nfs/dbraw/zinc/95/62/71/402956271.db2.gz PFMYXZAHAXTOKG-UWVGGRQHSA-N 0 3 303.318 2.163 20 5 DEBDHN Cc1ccc(C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000272374881 402929378 /nfs/dbraw/zinc/92/93/78/402929378.db2.gz BGGYSFVKZZVUGX-WFASDCNBSA-N 0 3 303.362 2.069 20 5 DEBDHN C[C@H](CC1CC1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273421322 403003594 /nfs/dbraw/zinc/00/35/94/403003594.db2.gz JJBRQNUJJGKEPF-LLVKDONJSA-N 0 3 312.391 2.147 20 5 DEBDHN Cc1ccc([C@H](C)NC(=O)NCCN(C)C2CC2)cc1[N+](=O)[O-] ZINC000268089703 403047577 /nfs/dbraw/zinc/04/75/77/403047577.db2.gz ZZTWODDCSBGSET-LBPRGKRZSA-N 0 3 320.393 2.358 20 5 DEBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000268221345 403063333 /nfs/dbraw/zinc/06/33/33/403063333.db2.gz QIEOOBOUTXQRJX-BGFAJILSSA-N 0 3 315.373 2.207 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)N(C)C ZINC000281984416 403110524 /nfs/dbraw/zinc/11/05/24/403110524.db2.gz PBHIUQWTLOKKKW-JTQLQIEISA-N 0 3 310.354 2.065 20 5 DEBDHN Cc1ccc(CN[C@H]2CCO[C@@H]2c2nccn2C)cc1[N+](=O)[O-] ZINC000275662310 403113714 /nfs/dbraw/zinc/11/37/14/403113714.db2.gz VBVPBNKOUZXBNS-ZFWWWQNUSA-N 0 3 316.361 2.257 20 5 DEBDHN COc1ccc(OCCN2CC[C@H](OC)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000282228051 403134350 /nfs/dbraw/zinc/13/43/50/403134350.db2.gz FKHLUKNDWWNSKF-OCCSQVGLSA-N 0 3 324.377 2.482 20 5 DEBDHN CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H](CO)c1ccccc1 ZINC000269645920 403153391 /nfs/dbraw/zinc/15/33/91/403153391.db2.gz KYPICNGJOCDJER-IAGOWNOFSA-N 0 3 316.357 2.294 20 5 DEBDHN Cc1ccc([C@@H](O)CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)o1 ZINC000283860360 403228761 /nfs/dbraw/zinc/22/87/61/403228761.db2.gz BNSZVDWIRUOXNA-YGRLFVJLSA-N 0 3 305.334 2.463 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000277571758 403231916 /nfs/dbraw/zinc/23/19/16/403231916.db2.gz LFCRDNPBMGUIEK-RISCZKNCSA-N 0 3 321.377 2.016 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC2(CN(C)C)CCC2)c1 ZINC000283246170 403183499 /nfs/dbraw/zinc/18/34/99/403183499.db2.gz QNGBUJXNKQIAQQ-UHFFFAOYSA-N 0 3 321.377 2.208 20 5 DEBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C)C[C@@H]1N(C)C ZINC000270508476 403197156 /nfs/dbraw/zinc/19/71/56/403197156.db2.gz QRBYQMMNMCLDCS-KBPBESRZSA-N 0 3 323.418 2.021 20 5 DEBDHN CC(C)N(CCN(C)C)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000277749948 403252655 /nfs/dbraw/zinc/25/26/55/403252655.db2.gz IZIPYBDTFXZLLA-UHFFFAOYSA-N 0 3 320.393 2.256 20 5 DEBDHN CN(C[C@@H]1CCCN1C)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000331247772 403362251 /nfs/dbraw/zinc/36/22/51/403362251.db2.gz VYVNADSWGKGFQA-NSHDSACASA-N 0 3 311.769 2.414 20 5 DEBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000285611422 403338753 /nfs/dbraw/zinc/33/87/53/403338753.db2.gz CCEHVBOIQIQLLX-PWSUYJOCSA-N 0 3 309.391 2.355 20 5 DEBDHN O=c1[nH]c(NCCN2CCCCC2)nc2ccc([N+](=O)[O-])cc21 ZINC000286293639 403492141 /nfs/dbraw/zinc/49/21/41/403492141.db2.gz XYEOPYMDYGHYOY-UHFFFAOYSA-N 0 3 317.349 2.141 20 5 DEBDHN CCN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H](C)CO ZINC000293423891 403468074 /nfs/dbraw/zinc/46/80/74/403468074.db2.gz NIBHQKHYGVURQV-LBPRGKRZSA-N 0 3 319.361 2.495 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(CCN(C)C3)C2)c1 ZINC000293915387 403598290 /nfs/dbraw/zinc/59/82/90/403598290.db2.gz OWNQIOSTRQJIIL-MRXNPFEDSA-N 0 3 303.362 2.071 20 5 DEBDHN CCn1ccnc1[C@@H]1OCC[C@@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000343404755 403573634 /nfs/dbraw/zinc/57/36/34/403573634.db2.gz YZOVLGQWNULGPF-LSDHHAIUSA-N 0 3 316.361 2.431 20 5 DEBDHN Cc1c(CC(=O)N[C@H]2CCCN(C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000343420334 403581155 /nfs/dbraw/zinc/58/11/55/403581155.db2.gz AJKUEPAOCGRXRO-OCCSQVGLSA-N 0 3 305.378 2.045 20 5 DEBDHN CCN1CCN([C@@H](C)CNc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000301522171 403641305 /nfs/dbraw/zinc/64/13/05/403641305.db2.gz LSTSGMGSTPTRAQ-AWEZNQCLSA-N 0 3 306.410 2.341 20 5 DEBDHN CCN(CC)CCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000294207890 403673537 /nfs/dbraw/zinc/67/35/37/403673537.db2.gz INGCRRCSQRARAV-UHFFFAOYSA-N 0 3 321.377 2.016 20 5 DEBDHN COc1cc(C[NH2+]C[C@H]2CCC[C@H]2OC)c([N+](=O)[O-])cc1[O-] ZINC000341271770 403877552 /nfs/dbraw/zinc/87/75/52/403877552.db2.gz VZSXWBVDNAAXTD-QMTHXVAHSA-N 0 3 310.350 2.214 20 5 DEBDHN CC(=O)NC1CCC(N(C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000344099090 403908283 /nfs/dbraw/zinc/90/82/83/403908283.db2.gz NAPJHTMQKSMWJE-UHFFFAOYSA-N 0 3 305.378 2.474 20 5 DEBDHN C[C@H](CNc1cccc(C(N)=O)c1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000341523076 404014316 /nfs/dbraw/zinc/01/43/16/404014316.db2.gz HTRWIKLMGGLVHN-NWDGAFQWSA-N 0 3 320.393 2.226 20 5 DEBDHN O=[N+]([O-])c1ccc(CN[C@@H](CO)[C@@H]2CCCOC2)c(Cl)c1 ZINC000411988556 404047370 /nfs/dbraw/zinc/04/73/70/404047370.db2.gz ODYPLOAJVKOFKS-RISCZKNCSA-N 0 3 314.769 2.125 20 5 DEBDHN CN(C)CCN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000344319255 404055925 /nfs/dbraw/zinc/05/59/25/404055925.db2.gz KUKRRMNFGWNBLR-UHFFFAOYSA-N 0 3 316.361 2.127 20 5 DEBDHN Cc1nc([C@H]2CCN(Cc3cccc([N+](=O)[O-])c3C)C2)n[nH]1 ZINC000412033706 404071517 /nfs/dbraw/zinc/07/15/17/404071517.db2.gz SDYOXMUMVKLMNY-ZDUSSCGKSA-N 0 3 301.350 2.319 20 5 DEBDHN Cc1n[nH]c([C@H]2CCN(Cc3cccc([N+](=O)[O-])c3C)C2)n1 ZINC000412033706 404071524 /nfs/dbraw/zinc/07/15/24/404071524.db2.gz SDYOXMUMVKLMNY-ZDUSSCGKSA-N 0 3 301.350 2.319 20 5 DEBDHN CCN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@@H](C)O ZINC000352202722 404210408 /nfs/dbraw/zinc/21/04/08/404210408.db2.gz LVVBDKSHZYFZCW-GFCCVEGCSA-N 0 3 319.361 2.495 20 5 DEBDHN O=C(NC1CCN(C2CCC2)CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000296787581 404321531 /nfs/dbraw/zinc/32/15/31/404321531.db2.gz BKNMVQXCFJFRBE-UHFFFAOYSA-N 0 3 321.352 2.481 20 5 DEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCCCS(C)(=O)=O ZINC000344792344 404370892 /nfs/dbraw/zinc/37/08/92/404370892.db2.gz MBZUBNKBDOTYRV-XFXZXTDPSA-N 0 3 312.391 2.022 20 5 DEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@@H](O)COCC1CC1 ZINC000344860843 404411022 /nfs/dbraw/zinc/41/10/22/404411022.db2.gz NQLXYJFFCPCVOS-KYTCBBFDSA-N 0 3 320.389 2.375 20 5 DEBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000356421853 404511685 /nfs/dbraw/zinc/51/16/85/404511685.db2.gz JHORLTKPIDDHJJ-QMTHXVAHSA-N 0 3 309.341 2.146 20 5 DEBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000356421848 404512524 /nfs/dbraw/zinc/51/25/24/404512524.db2.gz JHORLTKPIDDHJJ-IINYFYTJSA-N 0 3 309.341 2.146 20 5 DEBDHN C[C@@H](CC(N)=O)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000344898591 404432975 /nfs/dbraw/zinc/43/29/75/404432975.db2.gz RRHRATQNPYUYAJ-JTQLQIEISA-N 0 3 303.318 2.208 20 5 DEBDHN C[C@@H]1CCCN1C(=O)CCN(C)CCc1ccccc1[N+](=O)[O-] ZINC000352562931 404457448 /nfs/dbraw/zinc/45/74/48/404457448.db2.gz NOHUCDZBLMCDKT-CQSZACIVSA-N 0 3 319.405 2.470 20 5 DEBDHN CO[C@@H]([C@H](C)N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000414177343 404536314 /nfs/dbraw/zinc/53/63/14/404536314.db2.gz IGTHURFGDVXTHA-PGUXBMHVSA-N 0 3 321.377 2.325 20 5 DEBDHN Cc1cc(C(=O)N2CC[C@@]3(CCN(C)C3)C2)cc([N+](=O)[O-])c1 ZINC000292057030 404648655 /nfs/dbraw/zinc/64/86/55/404648655.db2.gz BJKGHOURADVSIY-MRXNPFEDSA-N 0 3 303.362 2.071 20 5 DEBDHN C[C@H](CN1CCOCC1)N(C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000435058112 404954080 /nfs/dbraw/zinc/95/40/80/404954080.db2.gz SONKRMLELITDRI-ZQMJAJRESA-N 0 3 319.405 2.261 20 5 DEBDHN CCCCN(C)CCNC(=O)c1cccc([N+](=O)[O-])c1NC ZINC000361221898 404980260 /nfs/dbraw/zinc/98/02/60/404980260.db2.gz UUHYPJBPVMOJLP-UHFFFAOYSA-N 0 3 308.382 2.098 20 5 DEBDHN CN(C)C1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000416300916 405094150 /nfs/dbraw/zinc/09/41/50/405094150.db2.gz JSJHQBULBJRNIM-UHFFFAOYSA-N 0 3 311.769 2.001 20 5 DEBDHN COc1ccc2c(c1)ncc([N+](=O)[O-])c2NCC1(N(C)C)CC1 ZINC000419013396 405219730 /nfs/dbraw/zinc/21/97/30/405219730.db2.gz ZDYKUDQNJPHHIM-UHFFFAOYSA-N 0 3 316.361 2.080 20 5 DEBDHN CN1C[C@@H]2CCCN(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000425686231 405313660 /nfs/dbraw/zinc/31/36/60/405313660.db2.gz VPDHBBXDSLLSMU-IINYFYTJSA-N 0 3 322.340 2.292 20 5 DEBDHN C[C@@H]1C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CN1C1CC1 ZINC000440932300 405331115 /nfs/dbraw/zinc/33/11/15/405331115.db2.gz MSBWUYRZYHZPQA-SKDRFNHKSA-N 0 3 307.325 2.089 20 5 DEBDHN CN(C[C@H]1CCCN1C)c1ncnc2cccc([N+](=O)[O-])c21 ZINC000420629053 405364348 /nfs/dbraw/zinc/36/43/48/405364348.db2.gz BVDLBFLLCLLFFY-LLVKDONJSA-N 0 3 301.350 2.068 20 5 DEBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N(C)C[C@@H]1CCCN1C ZINC000420641003 405366410 /nfs/dbraw/zinc/36/64/10/405366410.db2.gz UDTVEDFLPDMLAU-LBPRGKRZSA-N 0 3 321.377 2.220 20 5 DEBDHN CN(CCCNC(=O)C1CCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000429531342 405434947 /nfs/dbraw/zinc/43/49/47/405434947.db2.gz VGYYVUGKLHWTAZ-UHFFFAOYSA-N 0 3 305.378 2.333 20 5 DEBDHN CN(C[C@@H]1CCCN1C)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000421130639 405450320 /nfs/dbraw/zinc/45/03/20/405450320.db2.gz YRUPZCDPFZZQTG-LBPRGKRZSA-N 0 3 310.329 2.292 20 5 DEBDHN CCN1C[C@H](NC/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1=O ZINC000449518024 405593323 /nfs/dbraw/zinc/59/33/23/405593323.db2.gz MEHNETMKNBMXNX-YRBHFNIASA-N 0 3 303.362 2.209 20 5 DEBDHN CN(C[C@@H]1CCCN1C)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000421709225 405603726 /nfs/dbraw/zinc/60/37/26/405603726.db2.gz DFCGBCMHYYCJON-HRCADAONSA-N 0 3 317.389 2.251 20 5 DEBDHN CCOc1cc(NC[C@H]2CCCN2CCCO)ccc1[N+](=O)[O-] ZINC000450599568 405973326 /nfs/dbraw/zinc/97/33/26/405973326.db2.gz SQLBVPJALBMUCW-CQSZACIVSA-N 0 3 323.393 2.252 20 5 DEBDHN Cc1cc([N+](=O)[O-])cnc1N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000488768418 406345860 /nfs/dbraw/zinc/34/58/60/406345860.db2.gz WXKZVNQPAWZFEU-YWPYICTPSA-N 0 3 304.394 2.465 20 5 DEBDHN C[C@H]1CCN(CCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000524776506 406459963 /nfs/dbraw/zinc/45/99/63/406459963.db2.gz OLWHMYYWIZUZBY-JTQLQIEISA-N 0 3 311.769 2.320 20 5 DEBDHN CN(CCOC[C@@H]1CCCO1)CCc1cccc([N+](=O)[O-])c1 ZINC000548934760 406568990 /nfs/dbraw/zinc/56/89/90/406568990.db2.gz RDGDHWMDXUEPEW-INIZCTEOSA-N 0 3 308.378 2.265 20 5 DEBDHN CN(CCOC[C@H]1CCCO1)CCc1cccc([N+](=O)[O-])c1 ZINC000548934761 406568200 /nfs/dbraw/zinc/56/82/00/406568200.db2.gz RDGDHWMDXUEPEW-MRXNPFEDSA-N 0 3 308.378 2.265 20 5 DEBDHN CN(C(=O)/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CCN(C2CC2)C1 ZINC000491685287 406669566 /nfs/dbraw/zinc/66/95/66/406669566.db2.gz KTFAHAYOVSVWKZ-WUKHSURWSA-N 0 3 315.373 2.303 20 5 DEBDHN C[C@H](C(=O)N[C@H]1CN(C2CC2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000572830119 406745688 /nfs/dbraw/zinc/74/56/88/406745688.db2.gz HBKKJUZTFDVIOX-WQGACYEGSA-N 0 3 317.389 2.297 20 5 DEBDHN C[C@@H]1CCN(C)CCN1C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000491890417 406766266 /nfs/dbraw/zinc/76/62/66/406766266.db2.gz XRGFMRYJWVDFLO-FVOPLDGLSA-N 0 3 321.352 2.300 20 5 DEBDHN C[C@@H]1C[C@H](NC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CCN1C ZINC000491913864 406776439 /nfs/dbraw/zinc/77/64/39/406776439.db2.gz KJLIABQPOPFEDV-JDRNFJBZSA-N 0 3 321.352 2.346 20 5 DEBDHN C[C@H](C(=O)N(C)[C@H]1CCN(C)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000555312664 406840389 /nfs/dbraw/zinc/84/03/89/406840389.db2.gz SJDFANPZIQAFHI-XEZPLFJOSA-N 0 3 319.405 2.497 20 5 DEBDHN Cc1c(CC(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000129173346 196025717 /nfs/dbraw/zinc/02/57/17/196025717.db2.gz LGTQFUMYPHBFDM-BXUZGUMPSA-N 0 3 317.389 2.187 20 5 DEBDHN CC1CCN(CCNc2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000357320129 424814916 /nfs/dbraw/zinc/81/49/16/424814916.db2.gz CQGHQTXCQQOTNL-UHFFFAOYSA-N 0 3 315.377 2.682 20 5 DEBDHN C[C@H]1CCCN(CCNc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000357320688 424815265 /nfs/dbraw/zinc/81/52/65/424815265.db2.gz DLVLUUCQDJNJIZ-LBPRGKRZSA-N 0 3 315.377 2.682 20 5 DEBDHN COCCNCCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000216077178 424884894 /nfs/dbraw/zinc/88/48/94/424884894.db2.gz LIJUJYJJHREZJN-UHFFFAOYSA-N 0 3 307.272 2.262 20 5 DEBDHN C[C@@H](C(=O)N[C@@H]1CCN(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000519853831 269430829 /nfs/dbraw/zinc/43/08/29/269430829.db2.gz LWCIQPXFVILDFW-DGCLKSJQSA-N 0 3 303.362 2.051 20 5 DEBDHN CN(C)CCN(C)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000289779499 273795489 /nfs/dbraw/zinc/79/54/89/273795489.db2.gz SSUHLLMZWRWDAH-UHFFFAOYSA-N 0 3 300.746 2.274 20 5 DEBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)CC[C@H]1N1CCN(C)CC1 ZINC000374308722 274364321 /nfs/dbraw/zinc/36/43/21/274364321.db2.gz HHBJCTMXPYWXLL-RHSMWYFYSA-N 0 3 318.421 2.057 20 5 DEBDHN CC1(C)C[C@@H](NCCNC(=O)C2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000279222927 275860602 /nfs/dbraw/zinc/86/06/02/275860602.db2.gz ZDPGQWGARJSAON-OAHLLOKOSA-N 0 3 317.389 2.433 20 5 DEBDHN CCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000290065890 276266821 /nfs/dbraw/zinc/26/68/21/276266821.db2.gz YABQVDLXYJBXFL-UHFFFAOYSA-N 0 3 306.103 2.309 20 5 DEBDHN CN1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000408461671 277149482 /nfs/dbraw/zinc/14/94/82/277149482.db2.gz AYRGGBYXWLPVDH-RNCFNFMXSA-N 0 3 309.753 2.024 20 5 DEBDHN CCN(C)CCNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176009922 279030215 /nfs/dbraw/zinc/03/02/15/279030215.db2.gz CCUWFUSFFPKGQS-LBPRGKRZSA-N 0 3 308.382 2.215 20 5 DEBDHN Cc1cccc(N2CCN(C[C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000188386616 281228070 /nfs/dbraw/zinc/22/80/70/281228070.db2.gz FYYARUCPGAEALS-AWEZNQCLSA-N 0 3 305.378 2.062 20 5 DEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](N2CCOCC2)[C@H]1C ZINC000289980744 290266768 /nfs/dbraw/zinc/26/67/68/290266768.db2.gz XPOVNKIYLGPBIF-IIAWOOMASA-N 0 3 319.405 2.451 20 5 DEBDHN CS[C@@H]1CN(C(=O)c2cccc(C)c2[N+](=O)[O-])C[C@H]1N(C)C ZINC000270467138 295648840 /nfs/dbraw/zinc/64/88/40/295648840.db2.gz LLEMBVKSHHLMKH-CHWSQXEVSA-N 0 3 323.418 2.021 20 5 DEBDHN CSc1cccc(C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000576674275 326310139 /nfs/dbraw/zinc/31/01/39/326310139.db2.gz BSVLWHAQGAOJJR-CMPLNLGQSA-N 0 3 321.402 2.093 20 5 DEBDHN Cc1cscc1CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000577723064 341931849 /nfs/dbraw/zinc/93/18/49/341931849.db2.gz CLSLOTRPUFRKTG-CQSZACIVSA-N 0 3 322.386 2.494 20 5 DEBDHN CC(C)CN(CCN(C)C)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000104529171 519715758 /nfs/dbraw/zinc/71/57/58/519715758.db2.gz DFJQVMGEHKJJSK-UHFFFAOYSA-N 0 3 323.393 2.020 20 5 DEBDHN CCCCN1CCCC[C@@H]1CNC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000338420466 520583063 /nfs/dbraw/zinc/58/30/63/520583063.db2.gz FGLNHEOWZCVQMT-GFCCVEGCSA-N 0 3 323.397 2.011 20 5 DEBDHN Cc1c(CC(=O)NCCN2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000161707427 525692479 /nfs/dbraw/zinc/69/24/79/525692479.db2.gz BMGWJEAJCDOYRE-ZDUSSCGKSA-N 0 3 319.405 2.294 20 5 DEBDHN CC(C)(NCCN1C[C@H]2CC[C@@H](C1)O2)c1ccccc1[N+](=O)[O-] ZINC000429259196 527291808 /nfs/dbraw/zinc/29/18/08/527291808.db2.gz XSSHDODBEQDQNN-OKILXGFUSA-N 0 3 319.405 2.283 20 5 DEBDHN CCCNC(=O)CCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192710755 528373460 /nfs/dbraw/zinc/37/34/60/528373460.db2.gz AMZAVOFVHMOOOC-OAHLLOKOSA-N 0 3 305.378 2.478 20 5 DEBDHN CCOC1CC(O)(CNCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000444008533 528525799 /nfs/dbraw/zinc/52/57/99/528525799.db2.gz HAYMOPXHGPSUTP-UHFFFAOYSA-N 0 3 314.769 2.268 20 5 DEBDHN CC(C)[C@@]1(CO)CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000292985054 528894518 /nfs/dbraw/zinc/89/45/18/528894518.db2.gz HQUPKCNLKFYBRA-SJORKVTESA-N 0 3 322.405 2.359 20 5 DEBDHN CCN1CCC[C@@H]1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000193565788 529083233 /nfs/dbraw/zinc/08/32/33/529083233.db2.gz FEZUEWUUYUUESL-GFCCVEGCSA-N 0 3 318.377 2.376 20 5 DEBDHN CCN1CCN(CC(C)(C)Nc2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000450921292 535674711 /nfs/dbraw/zinc/67/47/11/535674711.db2.gz GKQGJUZZTIPCSC-UHFFFAOYSA-N 0 3 321.425 2.126 20 5 DEBDHN COc1cc(C(=O)N[C@H]2CCCN(C)[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000359869202 536519602 /nfs/dbraw/zinc/51/96/02/536519602.db2.gz CZBYAAGQHWHGSS-YPMHNXCESA-N 0 3 321.377 2.124 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@]1(C)CN2CCC1CC2 ZINC000892786786 625604046 /nfs/dbraw/zinc/60/40/46/625604046.db2.gz WMLZRMFDZXTVGL-MRXNPFEDSA-N 0 3 303.362 2.117 20 5 DEBDHN CC(COC(=O)[C@@H](C)Oc1ccc(F)cc1Cl)[N+](=O)[O-] ZINC000813115669 623418575 /nfs/dbraw/zinc/41/85/75/623418575.db2.gz XLBBIVKNCGUYAD-JGVFFNPUSA-N 0 3 305.689 2.455 20 5 DEBDHN COc1c([O-])ccc(C[N@H+](C)CC2CCOCC2)c1[N+](=O)[O-] ZINC000892004822 624738103 /nfs/dbraw/zinc/73/81/03/624738103.db2.gz SNGWPCSVDSYXNY-UHFFFAOYSA-N 0 3 310.350 2.167 20 5 DEBDHN COc1c([O-])ccc(C[N@@H+](C)CC2CCOCC2)c1[N+](=O)[O-] ZINC000892004822 624738108 /nfs/dbraw/zinc/73/81/08/624738108.db2.gz SNGWPCSVDSYXNY-UHFFFAOYSA-N 0 3 310.350 2.167 20 5 DEBDHN C[C@H](CN1CCOCC1)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443766 625025191 /nfs/dbraw/zinc/02/51/91/625025191.db2.gz WNOLFMCZGNOGHQ-LLVKDONJSA-N 0 3 313.785 2.059 20 5 DEBDHN COc1c([O-])ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c1[N+](=O)[O-] ZINC000893036547 625068751 /nfs/dbraw/zinc/06/87/51/625068751.db2.gz IOJRSJYLMSMZCX-COLVAYQJSA-N 0 3 322.361 2.212 20 5 DEBDHN CCC[C@@]1(CO)CCCN1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894052735 636100432 /nfs/dbraw/zinc/10/04/32/636100432.db2.gz DRBUGURXLFLJBT-INIZCTEOSA-N 0 3 324.377 2.436 20 5 DEBDHN CCc1[nH]nc(C(=O)OC[C@@H]2CCCCN2C(C)C)c1[N+](=O)[O-] ZINC000837656668 650240370 /nfs/dbraw/zinc/24/03/70/650240370.db2.gz HGMIXORLNBZGHA-NSHDSACASA-N 0 3 324.381 2.300 20 5 DEBDHN C[C@H](N[C@@H](C)[C@@H]1CCS(=O)(=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000894658339 637151472 /nfs/dbraw/zinc/15/14/72/637151472.db2.gz VNOREUPJNNEEPE-GMXVVIOVSA-N 0 3 312.391 2.069 20 5 DEBDHN Cc1cc(Cl)c(C(=O)N[C@@H]2CCN(C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000928431059 637165594 /nfs/dbraw/zinc/16/55/94/637165594.db2.gz BDCHDOQTOPKTQO-BXKDBHETSA-N 0 3 311.769 2.379 20 5 DEBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@@H]2COCO2)o1 ZINC000894873696 637281345 /nfs/dbraw/zinc/28/13/45/637281345.db2.gz SQILJMOEXWODCA-GFCCVEGCSA-N 0 3 304.302 2.317 20 5 DEBDHN C[C@H](NC(=O)N(C)[C@@H]1CCCN(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000895067861 637473069 /nfs/dbraw/zinc/47/30/69/637473069.db2.gz XIPCIDNZLGFJNP-SWLSCSKDSA-N 0 3 320.393 2.391 20 5 DEBDHN COc1c([O-])ccc(C[NH2+]CC[C@@H]2CC2(F)F)c1[N+](=O)[O-] ZINC000895513621 638064450 /nfs/dbraw/zinc/06/44/50/638064450.db2.gz PSTMLYNQVQSKNO-SECBINFHSA-N 0 3 302.277 2.444 20 5 DEBDHN COc1c(O)ccc(CNC[C@@H]2C[C@@H]3CCC[C@H]3O2)c1[N+](=O)[O-] ZINC000895931166 638272259 /nfs/dbraw/zinc/27/22/59/638272259.db2.gz IBFOOOMKDDNMNB-VHRBIJSZSA-N 0 3 322.361 2.356 20 5 DEBDHN COc1c(O)ccc(CNC[C@@H]2C[C@@H]3CCC[C@@H]3O2)c1[N+](=O)[O-] ZINC000895931163 638272319 /nfs/dbraw/zinc/27/23/19/638272319.db2.gz IBFOOOMKDDNMNB-JKOKRWQUSA-N 0 3 322.361 2.356 20 5 DEBDHN COc1c(O)ccc(CN2CC[C@@H]([C@H]3CCCO3)C2)c1[N+](=O)[O-] ZINC000896061205 638332993 /nfs/dbraw/zinc/33/29/93/638332993.db2.gz YTEMUIRYPPGEBZ-BXUZGUMPSA-N 0 3 322.361 2.310 20 5 DEBDHN CCO[C@@H](CNc1cc([N+](=O)[O-])ccc1C(C)=O)CN(C)C ZINC000896111930 638358484 /nfs/dbraw/zinc/35/84/84/638358484.db2.gz IZVVNIVWCVYMTO-ZDUSSCGKSA-N 0 3 309.366 2.176 20 5 DEBDHN Cc1cc(NCCO[C@H]2CCOC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000896478314 638543293 /nfs/dbraw/zinc/54/32/93/638543293.db2.gz UTUUFUGINZYDIG-ZDUSSCGKSA-N 0 3 317.345 2.091 20 5 DEBDHN O=[N+]([O-])c1ccc2c(cnn2CN2CCC[C@@H]3COCC[C@@H]32)c1 ZINC000756887082 639710094 /nfs/dbraw/zinc/71/00/94/639710094.db2.gz MTTNLHKJUXUSQW-DOMZBBRYSA-N 0 3 316.361 2.403 20 5 DEBDHN O=[N+]([O-])c1ccc(Cl)c(CN[C@@H](CO)[C@H]2CCCOC2)c1 ZINC000839647594 639791105 /nfs/dbraw/zinc/79/11/05/639791105.db2.gz UPHUIVSZTDXXGO-HZMBPMFUSA-N 0 3 314.769 2.125 20 5 DEBDHN C[C@@H]1CCCN1CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000839729317 639827360 /nfs/dbraw/zinc/82/73/60/639827360.db2.gz VWWKPTTWDFOMTJ-SNVBAGLBSA-N 0 3 311.769 2.462 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N(C)C2CCN(C)CC2)c1C ZINC000888179235 640401193 /nfs/dbraw/zinc/40/11/93/640401193.db2.gz LXGSFTPDPQJERU-UHFFFAOYSA-N 0 3 305.378 2.378 20 5 DEBDHN O=C1OCCN1CCCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000764493107 640645708 /nfs/dbraw/zinc/64/57/08/640645708.db2.gz NUSDYNLIWLHSPX-UHFFFAOYSA-N 0 3 319.361 2.402 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(NC2CCN(C[C@H]3CCCO3)CC2)n1 ZINC000765464483 640780861 /nfs/dbraw/zinc/78/08/61/640780861.db2.gz LBCCCRUCTOIOEH-CQSZACIVSA-N 0 3 320.393 2.354 20 5 DEBDHN Cn1cc([C@]2(CNCc3ccc([N+](=O)[O-])cc3)CCCO2)cn1 ZINC000898061060 641013032 /nfs/dbraw/zinc/01/30/32/641013032.db2.gz LDYHZOCUGFEQIM-MRXNPFEDSA-N 0 3 316.361 2.124 20 5 DEBDHN CCC1(CO)CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776597197 642191399 /nfs/dbraw/zinc/19/13/99/642191399.db2.gz HXHUZSWFWUJWEK-OAHLLOKOSA-N 0 3 308.378 2.113 20 5 DEBDHN O=[N+]([O-])c1ccc([C@H](O)CN[C@H](CO)c2cccc(F)c2)cc1 ZINC000782060365 642818761 /nfs/dbraw/zinc/81/87/61/642818761.db2.gz CVKVQACXRFTCLY-HZPDHXFCSA-N 0 3 320.320 2.091 20 5 DEBDHN O=[N+]([O-])c1cc2c(cc1OCCN1CCCCC1)OCCO2 ZINC000902902165 643186428 /nfs/dbraw/zinc/18/64/28/643186428.db2.gz LSCVYCWVTZGJMF-UHFFFAOYSA-N 0 3 308.334 2.231 20 5 DEBDHN CCC(=O)N1CC[C@@H](N[C@@H](C)c2cc(OC)cc([N+](=O)[O-])c2)C1 ZINC000903113525 643256395 /nfs/dbraw/zinc/25/63/95/643256395.db2.gz VGIOBONVROCCRL-WCQYABFASA-N 0 3 321.377 2.265 20 5 DEBDHN COc1cc([C@@H](C)NC[C@@]2(OC)CCOC2)cc([N+](=O)[O-])c1 ZINC000903151763 643274652 /nfs/dbraw/zinc/27/46/52/643274652.db2.gz JWHXZCPHMRZTNF-ABAIWWIYSA-N 0 3 310.350 2.060 20 5 DEBDHN COCC[C@H](COC)N[C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903173484 643276888 /nfs/dbraw/zinc/27/68/88/643276888.db2.gz ZNZCTYXDNIJJNL-DGCLKSJQSA-N 0 3 312.366 2.306 20 5 DEBDHN COc1cc([C@@H](C)NC[C@H]2C[C@@H]3COC[C@@H]3O2)cc([N+](=O)[O-])c1 ZINC000903223895 643295289 /nfs/dbraw/zinc/29/52/89/643295289.db2.gz MAHZTRWBAZLUGK-NODPJGRNSA-N 0 3 322.361 2.058 20 5 DEBDHN COc1cc([C@@H](C)NCCOC2CCOCC2)cc([N+](=O)[O-])c1 ZINC000903228298 643299183 /nfs/dbraw/zinc/29/91/83/643299183.db2.gz TXSOVTWKDNAXOW-GFCCVEGCSA-N 0 3 324.377 2.450 20 5 DEBDHN CCN1CCCN(C(=O)c2c(C)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000910278277 645384298 /nfs/dbraw/zinc/38/42/98/645384298.db2.gz CRFLFMIHUYQKLT-ZDUSSCGKSA-N 0 3 305.378 2.460 20 5 DEBDHN CCN1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2C)[C@@H](C)C1 ZINC000910290585 645392745 /nfs/dbraw/zinc/39/27/45/645392745.db2.gz ZMDGCFIZZZECRT-ZDUSSCGKSA-N 0 3 305.378 2.460 20 5 DEBDHN CCN1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2OC)[C@H](C)C1 ZINC000910292166 645406633 /nfs/dbraw/zinc/40/66/33/645406633.db2.gz HAERFVRERBYYNB-GFCCVEGCSA-N 0 3 321.377 2.160 20 5 DEBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])c(C)n1CC(F)(F)F ZINC000813102488 646728463 /nfs/dbraw/zinc/72/84/63/646728463.db2.gz GFHFAJMILXMXMK-MRVPVSSYSA-N 0 3 308.256 2.489 20 5 DEBDHN CC(COC(=O)c1ccc2c(c1)nc(C(F)F)n2C)[N+](=O)[O-] ZINC000813103309 646728996 /nfs/dbraw/zinc/72/89/96/646728996.db2.gz ZXGWHYYWRJWNAQ-ZETCQYMHSA-N 0 3 313.260 2.333 20 5 DEBDHN COc1ccc(Cl)cc1NCCC(=O)OCC(C)[N+](=O)[O-] ZINC000813106717 646729420 /nfs/dbraw/zinc/72/94/20/646729420.db2.gz GWPKCLBQYKAIIP-VIFPVBQESA-N 0 3 316.741 2.359 20 5 DEBDHN CC(COC(=O)C1(c2ccc(F)cc2)CCOCC1)[N+](=O)[O-] ZINC000813105230 646729487 /nfs/dbraw/zinc/72/94/87/646729487.db2.gz KVJCQHJBMBUUIY-NSHDSACASA-N 0 3 311.309 2.082 20 5 DEBDHN CC(C)Oc1ncc(C(=O)OCC(C)[N+](=O)[O-])cc1Cl ZINC000813103934 646729723 /nfs/dbraw/zinc/72/97/23/646729723.db2.gz ISSXKKRIIJQYKC-MRVPVSSYSA-N 0 3 302.714 2.344 20 5 DEBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])nn1-c1ccc(C)cc1 ZINC000813110203 646730553 /nfs/dbraw/zinc/73/05/53/646730553.db2.gz URHMRAIORJJOGB-GFCCVEGCSA-N 0 3 303.318 2.311 20 5 DEBDHN CC(COC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)[N+](=O)[O-] ZINC000813111877 646731110 /nfs/dbraw/zinc/73/11/10/646731110.db2.gz BBUGMCZCMKUMGO-BDAKNGLRSA-N 0 3 314.319 2.284 20 5 DEBDHN CC(COC(=O)c1cccc(Oc2cnccn2)c1)[N+](=O)[O-] ZINC000813111961 646731203 /nfs/dbraw/zinc/73/12/03/646731203.db2.gz LXBSOIMVUADVOK-SNVBAGLBSA-N 0 3 303.274 2.091 20 5 DEBDHN Cc1nn(CC(=O)OCC(C)[N+](=O)[O-])cc1-c1ccccc1 ZINC000813112432 646731235 /nfs/dbraw/zinc/73/12/35/646731235.db2.gz HEGRXKIBDMSDJK-LLVKDONJSA-N 0 3 303.318 2.067 20 5 DEBDHN CC(COC(=O)COc1ccccc1C(F)(F)F)[N+](=O)[O-] ZINC000813111302 646731527 /nfs/dbraw/zinc/73/15/27/646731527.db2.gz RAVYXFGVJBQVNN-QMMMGPOBSA-N 0 3 307.224 2.293 20 5 DEBDHN CC(COC(=O)c1ccnc(N2CCC[C@H](C)C2)c1)[N+](=O)[O-] ZINC000813114013 646732633 /nfs/dbraw/zinc/73/26/33/646732633.db2.gz KXYRCWDRKCMMGV-RYUDHWBXSA-N 0 3 307.350 2.140 20 5 DEBDHN CCOc1c(Cl)cccc1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813115434 646733443 /nfs/dbraw/zinc/73/34/43/646733443.db2.gz RWSBDQWTZPNVIE-VIFPVBQESA-N 0 3 301.726 2.490 20 5 DEBDHN CN1C[C@@H]2CCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000816949740 647203975 /nfs/dbraw/zinc/20/39/75/647203975.db2.gz CSECMTDIXMDUDJ-TVQRCGJNSA-N 0 3 309.753 2.024 20 5 DEBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@@H]2COCc3ccccc32)c1 ZINC000819373266 647645703 /nfs/dbraw/zinc/64/57/03/647645703.db2.gz FSNVBRSTHDAZNR-SJORKVTESA-N 0 3 314.341 2.489 20 5 DEBDHN CO[C@H]1CC[C@@H](N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000821349476 648040979 /nfs/dbraw/zinc/04/09/79/648040979.db2.gz XCQUIJSAARQMGR-KGLIPLIRSA-N 0 3 305.378 2.284 20 5 DEBDHN CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CCCN1CCCO ZINC000828420051 649176517 /nfs/dbraw/zinc/17/65/17/649176517.db2.gz AWJWYIPHSIBOHH-CQSZACIVSA-N 0 3 321.377 2.056 20 5 DEBDHN Cc1cc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])nn1C ZINC000845878711 651291627 /nfs/dbraw/zinc/29/16/27/651291627.db2.gz VQJQZFMKGIZULZ-HZMBPMFUSA-N 0 3 321.308 2.431 20 5 DEBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)C1(O)CCC1 ZINC000929337207 693939319 /nfs/dbraw/zinc/93/93/19/693939319.db2.gz CETKXKSFTOVDDM-OAHLLOKOSA-N 0 3 308.378 2.081 20 5 DEBDHN O=C(N[C@H]1CCN(CC2CC2)C1)c1cccc([N+](=O)[O-])c1Cl ZINC000859284624 685698237 /nfs/dbraw/zinc/69/82/37/685698237.db2.gz MKHAWHVMRWXGKK-NSHDSACASA-N 0 3 323.780 2.462 20 5 DEBDHN C[C@H]1CCN(CCNC(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000859775592 685820266 /nfs/dbraw/zinc/82/02/66/685820266.db2.gz WOFUKDVVTUDQHR-JTQLQIEISA-N 0 3 311.769 2.320 20 5 DEBDHN O=C(NC[C@@H]1CCN1C1CCCC1)c1cc([N+](=O)[O-])ccc1F ZINC000863031588 686422304 /nfs/dbraw/zinc/42/23/04/686422304.db2.gz IFKRGGDTXWSQFF-ZDUSSCGKSA-N 0 3 321.352 2.481 20 5 DEBDHN Cc1cc(NC(=O)N(C)[C@@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000930732343 694228618 /nfs/dbraw/zinc/22/86/18/694228618.db2.gz GWMLEFCGUROSSH-CYBMUJFWSA-N 0 3 306.366 2.461 20 5 DEBDHN C[C@H](NC1CCC(C(N)=O)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872045458 688918641 /nfs/dbraw/zinc/91/86/41/688918641.db2.gz MJHMDVXTRKJCER-WHXUTIOJSA-N 0 3 309.341 2.429 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN[C@H](C)CN1CCCC1=O ZINC000873016349 689141478 /nfs/dbraw/zinc/14/14/78/689141478.db2.gz KOLCBGYDZIVJKL-GFCCVEGCSA-N 0 3 305.378 2.312 20 5 DEBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000874837506 689510879 /nfs/dbraw/zinc/51/08/79/689510879.db2.gz KMORWANVOZPQHH-STQMWFEESA-N 0 3 307.325 2.043 20 5 DEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000931057508 694306038 /nfs/dbraw/zinc/30/60/38/694306038.db2.gz PEDNBOBSQVIEPW-DOMZBBRYSA-N 0 3 318.377 2.379 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000877568285 690154333 /nfs/dbraw/zinc/15/43/33/690154333.db2.gz JVSLIAUYHDTOQT-OKILXGFUSA-N 0 3 321.421 2.099 20 5 DEBDHN CO[C@H]1COCC[C@@H]1N(C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000880432759 690897759 /nfs/dbraw/zinc/89/77/59/690897759.db2.gz HLFINFQDIOALJF-JSGCOSHPSA-N 0 3 314.769 2.484 20 5 DEBDHN CC(=O)N1CCC2(C1)CCN(Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001040559907 691265480 /nfs/dbraw/zinc/26/54/80/691265480.db2.gz CPUBBBBQFZWTHL-UHFFFAOYSA-N 0 3 317.389 2.429 20 5 DEBDHN CC(=O)c1c(N[C@H]2CCN(CC(C)(C)O)C2)cccc1[N+](=O)[O-] ZINC000882677291 691337964 /nfs/dbraw/zinc/33/79/64/691337964.db2.gz LVCGNTYISVZIQW-LBPRGKRZSA-N 0 3 321.377 2.055 20 5 DEBDHN COc1cc(CN[C@@H](CO)CC2CCC2)c([N+](=O)[O-])cc1OC ZINC000883126733 691435132 /nfs/dbraw/zinc/43/51/32/691435132.db2.gz YKBDZFCFBXMSJX-CYBMUJFWSA-N 0 3 324.377 2.253 20 5 DEBDHN Cc1c([C@@H](C)N[C@H]2C[C@H](S(C)(=O)=O)C2)cccc1[N+](=O)[O-] ZINC000883373919 691492349 /nfs/dbraw/zinc/49/23/49/691492349.db2.gz JHKXFMRRHLQXCU-IJLUTSLNSA-N 0 3 312.391 2.129 20 5 DEBDHN COC[C@@H](NCc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000886915343 692230328 /nfs/dbraw/zinc/23/03/28/692230328.db2.gz CMPUGGCBXMMFEP-TZMCWYRMSA-N 0 3 312.341 2.265 20 5 DEBDHN CC1(C)CCN(CCNC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000890065807 692849408 /nfs/dbraw/zinc/84/94/08/692849408.db2.gz GMNQGVJRNIBHAQ-UHFFFAOYSA-N 0 3 309.341 2.196 20 5 DEBDHN CC1(C)CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000890072124 692852033 /nfs/dbraw/zinc/85/20/33/692852033.db2.gz NZBPVLADDJHJEI-UHFFFAOYSA-N 0 3 309.341 2.196 20 5 DEBDHN Cc1ccc([C@H](C)NC[C@H](O)c2ccnn2C)cc1[N+](=O)[O-] ZINC000927131556 693558390 /nfs/dbraw/zinc/55/83/90/693558390.db2.gz JOLKWVONXIARMS-NHYWBVRUSA-N 0 3 304.350 2.021 20 5 DEBDHN Cc1ccc([C@@H](C)NC[C@H](O)c2ccnn2C)cc1[N+](=O)[O-] ZINC000927131554 693558531 /nfs/dbraw/zinc/55/85/31/693558531.db2.gz JOLKWVONXIARMS-ABAIWWIYSA-N 0 3 304.350 2.021 20 5 DEBDHN CC(C)N1CCC[C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001334246315 1150246022 /nfs/dbraw/zinc/24/60/22/1150246022.db2.gz AEXXQOILZULYAP-MRXNPFEDSA-N 0 3 317.389 2.352 20 5 DEBDHN CC[C@@](O)(CNCCNc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC001356570305 1152090418 /nfs/dbraw/zinc/09/04/18/1152090418.db2.gz SAHDYWGTVCBSRY-GFCCVEGCSA-N 0 3 321.299 2.300 20 5 DEBDHN CC1(C)C(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)C1(C)C ZINC001125314205 776697288 /nfs/dbraw/zinc/69/72/88/776697288.db2.gz YKSNBQYVFXDLHL-UHFFFAOYSA-N 0 3 319.405 2.483 20 5 DEBDHN O=[N+]([O-])c1cc(Cn2cc(CNCC3CC3)nn2)ccc1Cl ZINC001333532462 1150060860 /nfs/dbraw/zinc/06/08/60/1150060860.db2.gz BIQPBDAQJNZLMT-UHFFFAOYSA-N 0 3 321.768 2.388 20 5 DEBDHN CN1CCC(Oc2cc(Br)cnc2[N+](=O)[O-])CC1 ZINC001229563194 780574102 /nfs/dbraw/zinc/57/41/02/780574102.db2.gz NCDVGOKTIKKOKB-UHFFFAOYSA-N 0 3 316.155 2.225 20 5 DEBDHN O=[N+]([O-])c1cc2c(cc1NCCn1nnc3ccccc31)CNC2 ZINC001168930428 784980495 /nfs/dbraw/zinc/98/04/95/784980495.db2.gz DPMISESLTNATRK-UHFFFAOYSA-N 0 3 324.344 2.055 20 5 DEBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2CC3(CCN3Cc3ccccc3)C2)C1 ZINC001169038277 785012707 /nfs/dbraw/zinc/01/27/07/785012707.db2.gz XPPNLOYWQJCXPP-DLBZAZTESA-N 0 3 315.417 2.392 20 5 DEBDHN COc1ccc(C[C@@H](C)N2CCCC[C@H]2CO)c([N+](=O)[O-])c1 ZINC001170329382 786910397 /nfs/dbraw/zinc/91/03/97/786910397.db2.gz PTVXRWUJTMHTGM-OCCSQVGLSA-N 0 3 308.378 2.381 20 5 DEBDHN C[C@H](Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@H]1CNCCO1 ZINC001170567590 787643436 /nfs/dbraw/zinc/64/34/36/787643436.db2.gz KOFPDIXFEOCUIG-QPUJVOFHSA-N 0 3 319.283 2.402 20 5 DEBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1occc1Cl ZINC001133419342 788409247 /nfs/dbraw/zinc/40/92/47/788409247.db2.gz NMOCSTOSCYEXQR-UHFFFAOYSA-N 0 3 323.736 2.361 20 5 DEBDHN CN1CCCN([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1=O ZINC001172916880 793531645 /nfs/dbraw/zinc/53/16/45/793531645.db2.gz UJUUSCGGSFTYGW-OAHLLOKOSA-N 0 3 317.389 2.006 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1C[C@H](F)C[C@H]1CO)CC2 ZINC001172910413 793542772 /nfs/dbraw/zinc/54/27/72/793542772.db2.gz ZFHRLVGNXQORBX-FMKPAKJESA-N 0 3 308.353 2.247 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N(C)[C@@H]2CCOC2)c1F ZINC001173189285 793623039 /nfs/dbraw/zinc/62/30/39/793623039.db2.gz KCSISJBPPHEWJF-GHMZBOCLSA-N 0 3 312.341 2.394 20 5 DEBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC2(CC(=O)CO2)CC1 ZINC001173221958 793637734 /nfs/dbraw/zinc/63/77/34/793637734.db2.gz NSFAZAAMNAHDAG-CYBMUJFWSA-N 0 3 318.373 2.350 20 5 DEBDHN C[C@H]1CCCN(C(=O)CCNCc2cccc([N+](=O)[O-])c2)C1 ZINC001177764534 794744034 /nfs/dbraw/zinc/74/40/34/794744034.db2.gz FFBJXJYURFBRKE-ZDUSSCGKSA-N 0 3 305.378 2.333 20 5 DEBDHN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N1CC[C@@H](N2CC=CC2)C1 ZINC001119384986 795294728 /nfs/dbraw/zinc/29/47/28/795294728.db2.gz GCCQLZHZEBXBRT-GFCCVEGCSA-N 0 3 320.324 2.212 20 5 DEBDHN C[C@H](N)c1nc2ccccc2n1-c1ncc(F)cc1[N+](=O)[O-] ZINC001155247814 797716461 /nfs/dbraw/zinc/71/64/61/797716461.db2.gz MKKBDRUNNLUHDS-QMMMGPOBSA-N 0 3 301.281 2.488 20 5 DEBDHN CN1CC[C@H](Nc2ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn2)C1 ZINC001156581714 798035114 /nfs/dbraw/zinc/03/51/14/798035114.db2.gz XMKQHQLIZMVZSE-NSHDSACASA-N 0 3 317.324 2.307 20 5 DEBDHN O=C(Cc1ccoc1)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001156965761 798118064 /nfs/dbraw/zinc/11/80/64/798118064.db2.gz FPLBTNOUKAHSRR-UHFFFAOYSA-N 0 3 317.345 2.026 20 5 DEBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](C(=O)N(C)C)C1 ZINC001198147232 798289303 /nfs/dbraw/zinc/28/93/03/798289303.db2.gz NGRBKFOGQVBWRV-QWHCGFSZSA-N 0 3 305.378 2.456 20 5 DEBDHN O=[N+]([O-])c1cc([O-])cc(Nc2c[nH+]ccc2N2CCOCC2)c1 ZINC001199828615 798553404 /nfs/dbraw/zinc/55/34/04/798553404.db2.gz OQIKLDKCVOWQMM-UHFFFAOYSA-N 0 3 316.317 2.276 20 5 DEBDHN Cc1cc(N[C@H](C)[C@H]2CNCCO2)nc2ccc([N+](=O)[O-])cc12 ZINC001159494862 798572284 /nfs/dbraw/zinc/57/22/84/798572284.db2.gz APEWDDXEMOMTTO-IAQYHMDHSA-N 0 3 316.361 2.240 20 5 DEBDHN CCC(=O)NCCC1(CNCc2csc([N+](=O)[O-])c2)CC1 ZINC001163035564 799227280 /nfs/dbraw/zinc/22/72/80/799227280.db2.gz DHSCCSANQWBILS-UHFFFAOYSA-N 0 3 311.407 2.442 20 5 DEBDHN COc1cnc(N[C@H]2CNCc3ccsc32)cc1[N+](=O)[O-] ZINC001163220392 799281133 /nfs/dbraw/zinc/28/11/33/799281133.db2.gz DDDLMEJHIDOVDU-VIFPVBQESA-N 0 3 306.347 2.316 20 5 DEBDHN COc1cnc(N[C@@H]2CNCc3ccsc32)cc1[N+](=O)[O-] ZINC001163220390 799281163 /nfs/dbraw/zinc/28/11/63/799281163.db2.gz DDDLMEJHIDOVDU-SECBINFHSA-N 0 3 306.347 2.316 20 5 DEBDHN C[C@@]1(NCCn2ccc([N+](=O)[O-])n2)CCOc2ccccc21 ZINC000933367549 800076040 /nfs/dbraw/zinc/07/60/40/800076040.db2.gz HATBILZRIOPAKW-OAHLLOKOSA-N 0 3 302.334 2.079 20 5 DEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1C[C@@H]2C(=O)OC[C@@H]2C1 ZINC001207026034 800661892 /nfs/dbraw/zinc/66/18/92/800661892.db2.gz MNMNAZGCLHZJLE-HDHJSLLGSA-N 0 3 302.330 2.103 20 5 DEBDHN COC(=O)c1c(O[C@H]2CCN(C(C)C)C2)cccc1[N+](=O)[O-] ZINC001229043700 801213353 /nfs/dbraw/zinc/21/33/53/801213353.db2.gz ACQLSRLQWYCCBJ-NSHDSACASA-N 0 3 308.334 2.243 20 5 DEBDHN CN1CCC(Oc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC001226342987 803094913 /nfs/dbraw/zinc/09/49/13/803094913.db2.gz RFNFCZFNFBMHIG-UHFFFAOYSA-N 0 3 316.155 2.225 20 5 DEBDHN O=[N+]([O-])c1ccc2ncnc(O[C@H]3CN4CCC3CC4)c2c1 ZINC001226435558 803107127 /nfs/dbraw/zinc/10/71/27/803107127.db2.gz DAXLKBKKGPFMAE-AWEZNQCLSA-N 0 3 300.318 2.011 20 5 DEBDHN Nc1cc(O[C@H]2CCN(c3c(F)cccc3[N+](=O)[O-])C2)ccn1 ZINC001226652315 803136857 /nfs/dbraw/zinc/13/68/57/803136857.db2.gz FUCIXQAYILQRCU-NSHDSACASA-N 0 3 318.308 2.369 20 5 DEBDHN O=c1cc(O[C@@H]2CN3CCC2CC3)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC001227219796 803217372 /nfs/dbraw/zinc/21/73/72/803217372.db2.gz JPNGECLRVWPSIX-OAHLLOKOSA-N 0 3 315.329 2.322 20 5 DEBDHN CCN1CC[C@@H](Oc2c3ccccc3oc(=O)c2[N+](=O)[O-])C1 ZINC001228801877 803416054 /nfs/dbraw/zinc/41/60/54/803416054.db2.gz BBVKPNAGCYETTQ-SNVBAGLBSA-N 0 3 304.302 2.174 20 5 DEBDHN CC(C)N1CCC[C@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC001466716681 1059521315 /nfs/dbraw/zinc/52/13/15/1059521315.db2.gz NZUCLRBYPFOGDR-LBPRGKRZSA-N 0 3 309.341 2.337 20 5 DEBDHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)CC1CC1 ZINC001568719076 1065073037 /nfs/dbraw/zinc/07/30/37/1065073037.db2.gz AJNROFHJMRXIEB-UHFFFAOYSA-N 0 3 305.378 2.333 20 5 DEBDHN CCN(C(=O)c1cc([N+](=O)[O-])c(F)cc1C)[C@H]1CCN(C)C1 ZINC001641319533 1078706267 /nfs/dbraw/zinc/70/62/67/1078706267.db2.gz QEWCIEVAPQGCNS-NSHDSACASA-N 0 3 309.341 2.209 20 5 DEBDHN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC001644824093 1078864439 /nfs/dbraw/zinc/86/44/39/1078864439.db2.gz CJPHTDANIIVZPC-UONOGXRCSA-N 0 3 321.352 2.351 20 5 DEBDHN CCN1C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)C(C)(C)C1 ZINC001558526339 1075097809 /nfs/dbraw/zinc/09/78/09/1075097809.db2.gz LHZNTMJRTRENHX-ZDUSSCGKSA-N 0 3 309.341 2.194 20 5 DEBDHN C[C@@H]1CCC[C@H]1[NH2+]Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590247275 1076598347 /nfs/dbraw/zinc/59/83/47/1076598347.db2.gz JGFPFMKVBZZKHV-BXKDBHETSA-N 0 3 302.338 2.053 20 5 DEBDHN C[C@@H]1CCC[C@H]1[NH2+]Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590247275 1076598352 /nfs/dbraw/zinc/59/83/52/1076598352.db2.gz JGFPFMKVBZZKHV-BXKDBHETSA-N 0 3 302.338 2.053 20 5 DEBDHN CC[C@@]1(C)CC[N@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001590489447 1076638098 /nfs/dbraw/zinc/63/80/98/1076638098.db2.gz HHMVFGGDDZMSFB-HNNXBMFYSA-N 0 3 316.365 2.397 20 5 DEBDHN CC[C@@]1(C)CC[N@@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001590489447 1076638101 /nfs/dbraw/zinc/63/81/01/1076638101.db2.gz HHMVFGGDDZMSFB-HNNXBMFYSA-N 0 3 316.365 2.397 20 5 DEBDHN C[C@H]1C[C@H](C)C[NH+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001609154837 1077776114 /nfs/dbraw/zinc/77/61/14/1077776114.db2.gz SHXYHHUNLFASHV-QWRGUYRKSA-N 0 3 316.365 2.253 20 5 DEBDHN COc1cc(C[NH2+]CCCCn2ccnc2)c([N+](=O)[O-])cc1[O-] ZINC001656170960 1080058023 /nfs/dbraw/zinc/05/80/23/1080058023.db2.gz PWUMGLCHYWXBQL-UHFFFAOYSA-N 0 3 320.349 2.076 20 5 DEBDHN COc1cc(C[NH2+]CC[C@@H](O)C2CCCC2)c([N+](=O)[O-])cc1[O-] ZINC001658463459 1080208156 /nfs/dbraw/zinc/20/81/56/1080208156.db2.gz CIZBMCUQEWUWJO-CQSZACIVSA-N 0 3 324.377 2.340 20 5 DEBDHN COc1cc(CNCC[C@@H](O)C2CCCC2)c([N+](=O)[O-])cc1O ZINC001658463459 1080208162 /nfs/dbraw/zinc/20/81/62/1080208162.db2.gz CIZBMCUQEWUWJO-CQSZACIVSA-N 0 3 324.377 2.340 20 5 DEBDHN CN(C)C(=O)CCNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001661375350 1080475594 /nfs/dbraw/zinc/47/55/94/1080475594.db2.gz OBSCPWBCZGQPOR-UHFFFAOYSA-N 0 3 317.345 2.423 20 5 DEBDHN CC(C)C(C)(C)C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001128158433 1085040901 /nfs/dbraw/zinc/04/09/01/1085040901.db2.gz JKBLBDAKQVUNPW-UHFFFAOYSA-N 0 3 307.394 2.483 20 5 DEBDHN Cn1cc2c(n1)CCC[C@H]2NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001336704828 1142539409 /nfs/dbraw/zinc/53/94/09/1142539409.db2.gz XCOPWPMTQZAXLX-ZBFHGGJFSA-N 0 3 316.361 2.029 20 5 DEBDHN CC[C@H](C)C[C@@H](N)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001340065293 1143251304 /nfs/dbraw/zinc/25/13/04/1143251304.db2.gz PCPCTDDHDFDWGI-XHDPSFHLSA-N 0 3 305.378 2.243 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](NCc1cn3ccccc3n1)C2 ZINC001254572343 1143259171 /nfs/dbraw/zinc/25/91/71/1143259171.db2.gz LFZRWEIZCPJDJK-CQSZACIVSA-N 0 3 308.341 2.500 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1C[C@@H]3COC[C@H](C1)C3(F)F)C2 ZINC001254607960 1143281254 /nfs/dbraw/zinc/28/12/54/1143281254.db2.gz NRPMEFMGAFVSJY-VNHYZAJKSA-N 0 3 324.327 2.276 20 5 DEBDHN Cc1ccc(CNC(=O)NC[C@@H]2CCCCN2C)cc1[N+](=O)[O-] ZINC001342142270 1143796146 /nfs/dbraw/zinc/79/61/46/1143796146.db2.gz XKPXZHQKOORDGM-AWEZNQCLSA-N 0 3 320.393 2.187 20 5 DEBDHN CCC(=O)NCCCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001266115162 1144806844 /nfs/dbraw/zinc/80/68/44/1144806844.db2.gz UXCILYOMVTWYLE-UHFFFAOYSA-N 0 3 305.378 2.476 20 5 DEBDHN CN1C[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C(C)(C)C1 ZINC001303986462 1147340391 /nfs/dbraw/zinc/34/03/91/1147340391.db2.gz UFQBMTFNJYOAMW-ZDUSSCGKSA-N 0 3 316.361 2.146 20 5 DEBDHN COc1c(O)ccc(CN[C@H](CO)CCC(C)C)c1[N+](=O)[O-] ZINC001308864426 1147488252 /nfs/dbraw/zinc/48/82/52/1147488252.db2.gz NBTJCJKIUWDRBD-LBPRGKRZSA-N 0 3 312.366 2.196 20 5 DEBDHN CCOC1CC(O)(CN[C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000278422322 214142557 /nfs/dbraw/zinc/14/25/57/214142557.db2.gz IRBJVUQYYARXOD-VEAWUBTESA-N 0 3 308.378 2.484 20 5 DEBDHN Cc1nc2n(n1)C[C@@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000178224347 282118503 /nfs/dbraw/zinc/11/85/03/282118503.db2.gz RBARMANRCSUWMC-MFKMUULPSA-N 0 3 301.350 2.160 20 5 DEBDHN Cc1ccc([C@H](C)NCC2(N3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000278554475 214234376 /nfs/dbraw/zinc/23/43/76/214234376.db2.gz WBSSRGMWXLLTEV-AWEZNQCLSA-N 0 3 319.405 2.419 20 5 DEBDHN CS[C@H]1CN(C(=O)c2c(C)cccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000278859510 295671051 /nfs/dbraw/zinc/67/10/51/295671051.db2.gz XBFUXABLKBEHJS-OLZOCXBDSA-N 0 3 323.418 2.021 20 5 DEBDHN COCCN1CC[C@@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000278771174 214390061 /nfs/dbraw/zinc/39/00/61/214390061.db2.gz PFXUOXKSTKYDPI-RHSMWYFYSA-N 0 3 319.405 2.283 20 5 DEBDHN CCNC(=O)N1CC[C@H](N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000090410008 185294886 /nfs/dbraw/zinc/29/48/86/185294886.db2.gz CHUWNROCNOGRPY-JSGCOSHPSA-N 0 3 320.393 2.358 20 5 DEBDHN COc1cc(CNCC2(CO)CCCC2)c([N+](=O)[O-])cc1OC ZINC000185807475 282267273 /nfs/dbraw/zinc/26/72/73/282267273.db2.gz DZTPVDXJLHSLKK-UHFFFAOYSA-N 0 3 324.377 2.254 20 5 DEBDHN COc1cc(CN[C@H]2CC[C@H](OC)C2)c([N+](=O)[O-])cc1OC ZINC000190943577 282328130 /nfs/dbraw/zinc/32/81/30/282328130.db2.gz BMJSSEWIZKBUJG-RYUDHWBXSA-N 0 3 310.350 2.269 20 5 DEBDHN O=[N+]([O-])c1cc2c(cc1CN[C@H]1CCC[C@H]1CCO)OCCO2 ZINC000614587622 362414924 /nfs/dbraw/zinc/41/49/24/362414924.db2.gz UNGCZTXXUJVEJD-AAEUAGOBSA-N 0 3 322.361 2.007 20 5 DEBDHN CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCC(CO)CC1 ZINC000444661971 530023051 /nfs/dbraw/zinc/02/30/51/530023051.db2.gz MAFYVFLAXZVWBZ-UHFFFAOYSA-N 0 3 318.377 2.454 20 5 DEBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)N1CCCC1 ZINC000083421885 192371121 /nfs/dbraw/zinc/37/11/21/192371121.db2.gz HIZJPGNCBSHZOZ-JTQLQIEISA-N 0 3 311.769 2.462 20 5 DEBDHN CC[C@@]1(NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])CCOC1 ZINC000616865192 362952185 /nfs/dbraw/zinc/95/21/85/362952185.db2.gz HXBJPZAESAIKGS-OAHLLOKOSA-N 0 3 307.350 2.000 20 5 DEBDHN COc1cc(CN[C@@H]2CCC[C@H]2CCO)c([N+](=O)[O-])cc1OC ZINC000189974959 186257948 /nfs/dbraw/zinc/25/79/48/186257948.db2.gz BNAQNNXXJLHUQZ-WCQYABFASA-N 0 3 324.377 2.253 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@@H]1CN(C)C ZINC000617405058 363123404 /nfs/dbraw/zinc/12/34/04/363123404.db2.gz YUNGHFJTDHRJQN-CYBMUJFWSA-N 0 3 321.377 2.160 20 5 DEBDHN COc1ccc(CNC[C@@](C)(O)c2ccco2)cc1[N+](=O)[O-] ZINC000174527629 198347252 /nfs/dbraw/zinc/34/72/52/198347252.db2.gz LMDNAXCBJGTSLV-OAHLLOKOSA-N 0 3 306.318 2.194 20 5 DEBDHN CN(C)C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000182149330 199393519 /nfs/dbraw/zinc/39/35/19/199393519.db2.gz VTICJGKYFHKHKK-ZDUSSCGKSA-N 0 3 313.785 2.011 20 5 DEBDHN CC(C)[C@@H](C)N(C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000030149878 354120459 /nfs/dbraw/zinc/12/04/59/354120459.db2.gz OSAAVQHXXYBPKP-GFCCVEGCSA-N 0 3 305.378 2.460 20 5 DEBDHN Cc1cc(NCCNC(=O)N(C)C)c2cc([N+](=O)[O-])ccc2n1 ZINC000277038810 213255249 /nfs/dbraw/zinc/25/52/49/213255249.db2.gz OXEPEPJYHFHRKS-UHFFFAOYSA-N 0 3 317.349 2.135 20 5 DEBDHN O=[N+]([O-])c1ccccc1CN1CCC(CN2CCOCC2)CC1 ZINC000051957321 354391575 /nfs/dbraw/zinc/39/15/75/354391575.db2.gz SCUBLNIKUVYFIW-UHFFFAOYSA-N 0 3 319.405 2.139 20 5 DEBDHN COC[C@](C)(O)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000069912043 354880299 /nfs/dbraw/zinc/88/02/99/354880299.db2.gz RLEGDOZBNVFPKM-MRXNPFEDSA-N 0 3 320.345 2.342 20 5 DEBDHN COc1cc(NCCN2CCC(OC)CC2)ccc1[N+](=O)[O-] ZINC000080250018 355354451 /nfs/dbraw/zinc/35/44/51/355354451.db2.gz XUFBLYXUGXJKFG-UHFFFAOYSA-N 0 3 309.366 2.126 20 5 DEBDHN C[C@@H](NCC1CCS(=O)(=O)CC1)c1ccccc1[N+](=O)[O-] ZINC000090882142 355568700 /nfs/dbraw/zinc/56/87/00/355568700.db2.gz VNCGVSLZYZPIQW-LLVKDONJSA-N 0 3 312.391 2.070 20 5 DEBDHN CSCCNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237506407 356298294 /nfs/dbraw/zinc/29/82/94/356298294.db2.gz GCMJKXHWTGTQPB-UHFFFAOYSA-N 0 3 306.391 2.448 20 5 DEBDHN O=C(N[C@H]1CCN(CC2CCCC2)C1)c1ccc([N+](=O)[O-])o1 ZINC000081290662 192245115 /nfs/dbraw/zinc/24/51/15/192245115.db2.gz DHRDPFWLBOIWBQ-LBPRGKRZSA-N 0 3 307.350 2.182 20 5 DEBDHN CN1CC[C@@H](c2nc(CCNc3ccccc3[N+](=O)[O-])no2)C1 ZINC000350059471 356502647 /nfs/dbraw/zinc/50/26/47/356502647.db2.gz XZXKQNGOYAXOFA-LLVKDONJSA-N 0 3 317.349 2.052 20 5 DEBDHN CC[C@@H](NC(=O)C[C@@H]1CSCCN1)c1cccc([N+](=O)[O-])c1 ZINC000236910992 202066385 /nfs/dbraw/zinc/06/63/85/202066385.db2.gz YTELRDDUAJXYBR-TZMCWYRMSA-N 0 3 323.418 2.257 20 5 DEBDHN C[C@H]([C@H](C)N[C@H]1CCc2c1cccc2[N+](=O)[O-])N1CCOCC1 ZINC000581260560 357158738 /nfs/dbraw/zinc/15/87/38/357158738.db2.gz JHZVMFWWLJDOHH-ZENOOKHLSA-N 0 3 319.405 2.281 20 5 DEBDHN C[C@H](CCCCO)NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590656195 357574270 /nfs/dbraw/zinc/57/42/70/357574270.db2.gz URRUPTKVLUDZNJ-LLVKDONJSA-N 0 3 310.350 2.007 20 5 DEBDHN CC[C@H](C)C[C@@H](CO)NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000592375064 357869065 /nfs/dbraw/zinc/86/90/65/357869065.db2.gz PWDKZJVRUXGHQV-AAEUAGOBSA-N 0 3 324.377 2.253 20 5 DEBDHN CCCN(C(=O)c1ccc(NC)c([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000592833289 357954311 /nfs/dbraw/zinc/95/43/11/357954311.db2.gz YEDXFLQNJCDJMV-ZDUSSCGKSA-N 0 3 320.393 2.193 20 5 DEBDHN CCN1CCCC[C@@H]1CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593461008 358083434 /nfs/dbraw/zinc/08/34/34/358083434.db2.gz FUHDYADAIIHJGP-CQSZACIVSA-N 0 3 323.368 2.267 20 5 DEBDHN CN(CCN1CCCCC1)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593882309 358164070 /nfs/dbraw/zinc/16/40/70/358164070.db2.gz HJQARDDXVAFXIQ-UHFFFAOYSA-N 0 3 323.368 2.221 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N(C)CCN1CCCCC1 ZINC000593882819 358164080 /nfs/dbraw/zinc/16/40/80/358164080.db2.gz MQFGBYDXLOIVSF-UHFFFAOYSA-N 0 3 321.377 2.161 20 5 DEBDHN CCCN1CC[C@H](NCc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000594992761 358374980 /nfs/dbraw/zinc/37/49/80/358374980.db2.gz XCYDKAGJCKVIOH-ZDUSSCGKSA-N 0 3 323.393 2.186 20 5 DEBDHN CC(C)(C)N1C[C@H](CNCc2ccccc2[N+](=O)[O-])CC1=O ZINC000594994407 358375433 /nfs/dbraw/zinc/37/54/33/358375433.db2.gz UVAIKNIJZGJPQQ-LBPRGKRZSA-N 0 3 305.378 2.331 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC1(OC)CCOCC1 ZINC000595022892 358379091 /nfs/dbraw/zinc/37/90/91/358379091.db2.gz QFBGKAJKRIAAFF-LBPRGKRZSA-N 0 3 324.377 2.450 20 5 DEBDHN CC(C)(C)c1ccc(C(=O)N2CC[C@@H](F)[C@H](N)C2)cc1[N+](=O)[O-] ZINC000595261182 358407883 /nfs/dbraw/zinc/40/78/83/358407883.db2.gz VBBXIKVGRMJPOW-CHWSQXEVSA-N 0 3 323.368 2.404 20 5 DEBDHN CN(C)C1CN(c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000596180619 358632086 /nfs/dbraw/zinc/63/20/86/358632086.db2.gz VZAQYZORDWLNBM-UHFFFAOYSA-N 0 3 300.156 2.108 20 5 DEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)C[C@H]1COCCO1 ZINC000597207960 358853903 /nfs/dbraw/zinc/85/39/03/358853903.db2.gz XVOCTKSWBBATFR-OIQJVACTSA-N 0 3 306.362 2.345 20 5 DEBDHN CCCN1CC[C@@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000598341649 359168974 /nfs/dbraw/zinc/16/89/74/359168974.db2.gz FHHSKAZISVTFBP-GFCCVEGCSA-N 0 3 316.361 2.290 20 5 DEBDHN CSc1cccc(C(=O)N2CCN[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000598571986 359246179 /nfs/dbraw/zinc/24/61/79/359246179.db2.gz JJLAPNJERUZQKH-GFCCVEGCSA-N 0 3 323.418 2.387 20 5 DEBDHN CC1(C)CC[C@@H](CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)O1 ZINC000187262012 200084708 /nfs/dbraw/zinc/08/47/08/200084708.db2.gz HBAUCXFFWSDFQD-JSGCOSHPSA-N 0 3 320.393 2.434 20 5 DEBDHN CC(C)N1CCCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601034880 359901029 /nfs/dbraw/zinc/90/10/29/359901029.db2.gz OCSMBYLNSSOVGA-UHFFFAOYSA-N 0 3 309.341 2.290 20 5 DEBDHN COc1cccc([C@@H](C)NCCn2c(C)ncc2[N+](=O)[O-])c1 ZINC000602802648 360561720 /nfs/dbraw/zinc/56/17/20/360561720.db2.gz SHJNKDCTMMLXPI-LLVKDONJSA-N 0 3 304.350 2.459 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)C1CC(OC(C)(C)C)C1 ZINC000602848526 360588396 /nfs/dbraw/zinc/58/83/96/360588396.db2.gz VYOCHCLLRJZHRH-UHFFFAOYSA-N 0 3 310.398 2.378 20 5 DEBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000271988420 209363392 /nfs/dbraw/zinc/36/33/92/209363392.db2.gz PLMYQLWELMQGJA-GFCCVEGCSA-N 0 3 316.361 2.173 20 5 DEBDHN CCN1CCCC[C@@H]1CNC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000609530595 361317787 /nfs/dbraw/zinc/31/77/87/361317787.db2.gz YUINYZXMIVBDLS-CYBMUJFWSA-N 0 3 320.393 2.241 20 5 DEBDHN C[C@@H](NC(=O)N[C@@H]1CCN(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000609640199 361331263 /nfs/dbraw/zinc/33/12/63/361331263.db2.gz AKMCKWORLQVPDG-DGCLKSJQSA-N 0 3 318.377 2.192 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(CC3CC3)C2)c1 ZINC000610240077 361371679 /nfs/dbraw/zinc/37/16/79/361371679.db2.gz OCJMIRDXFURYBV-CYBMUJFWSA-N 0 3 303.362 2.117 20 5 DEBDHN CO[C@@H](CNCc1cc2c(cc1[N+](=O)[O-])OCCO2)C(C)C ZINC000610395493 361392713 /nfs/dbraw/zinc/39/27/13/361392713.db2.gz OGZAYFABNGEAKV-HNNXBMFYSA-N 0 3 310.350 2.127 20 5 DEBDHN COC[C@H]1CCCN1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000610605244 361430356 /nfs/dbraw/zinc/43/03/56/361430356.db2.gz SKKZCNGJGZDMPE-GFCCVEGCSA-N 0 3 310.350 2.093 20 5 DEBDHN COCC1(N(C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000611178513 361542027 /nfs/dbraw/zinc/54/20/27/361542027.db2.gz FSLYVGFPCAKUHO-UHFFFAOYSA-N 0 3 321.377 2.343 20 5 DEBDHN C[C@@H](NC[C@H](O)COCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000292875140 223286200 /nfs/dbraw/zinc/28/62/00/223286200.db2.gz HYSLKJCPVNEBLJ-SKDRFNHKSA-N 0 3 322.283 2.185 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](C)[C@@H]1CN(C)CCO1 ZINC000611336915 361582107 /nfs/dbraw/zinc/58/21/07/361582107.db2.gz GRALZNAEPZQNMH-ZENOOKHLSA-N 0 3 307.394 2.273 20 5 DEBDHN Cc1cc(NCCN2CCN(C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000281537106 216367977 /nfs/dbraw/zinc/36/79/77/216367977.db2.gz AXQPBFSRKFBXLZ-UHFFFAOYSA-N 0 3 306.410 2.341 20 5 DEBDHN CN1CC[C@H]2CCN(c3ncnc4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000611713864 361666160 /nfs/dbraw/zinc/66/61/60/361666160.db2.gz IWELAKRZOUWHPB-XHDPSFHLSA-N 0 3 313.361 2.068 20 5 DEBDHN COc1ccc(OCCN2CCC(C)(OC)CC2)c([N+](=O)[O-])c1 ZINC000271765935 209196758 /nfs/dbraw/zinc/19/67/58/209196758.db2.gz PTKKPMISTWCWSE-UHFFFAOYSA-N 0 3 324.377 2.483 20 5 DEBDHN CO[C@@H]1CCCC[C@@H]1N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000275177417 212174421 /nfs/dbraw/zinc/17/44/21/212174421.db2.gz CNUAUPIGDYBVEY-TUKIKUTGSA-N 0 3 321.377 2.469 20 5 DEBDHN CO[C@@H]1CCCC[C@H]1N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000275177415 212173571 /nfs/dbraw/zinc/17/35/71/212173571.db2.gz CNUAUPIGDYBVEY-NILFDRSVSA-N 0 3 321.377 2.469 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000451599511 243181656 /nfs/dbraw/zinc/18/16/56/243181656.db2.gz XIUHANDTEAJQJB-RDJZCZTQSA-N 0 3 320.389 2.490 20 5 DEBDHN C[C@@H](N[C@@H](C)[C@@H](C)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000173394925 296148579 /nfs/dbraw/zinc/14/85/79/296148579.db2.gz GLKGACGIEURZAG-BFHYXJOUSA-N 0 3 307.394 2.355 20 5 DEBDHN CCN1C[C@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000453375622 245100085 /nfs/dbraw/zinc/10/00/85/245100085.db2.gz XIPAUCOIBVTQCT-IUODEOHRSA-N 0 3 303.362 2.183 20 5 DEBDHN CN1CC[C@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000264653292 204055263 /nfs/dbraw/zinc/05/52/63/204055263.db2.gz HDBVVKDWXNUCDG-SNVBAGLBSA-N 0 3 303.318 2.023 20 5 DEBDHN CN(C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(C)C1 ZINC000265971427 205008804 /nfs/dbraw/zinc/00/88/04/205008804.db2.gz KXDANOVBIVRYSR-HNNXBMFYSA-N 0 3 319.405 2.425 20 5 DEBDHN O=[N+]([O-])c1ccc(Cl)cc1CNCCC1(O)CCOCC1 ZINC000285481530 218463430 /nfs/dbraw/zinc/46/34/30/218463430.db2.gz LJUBXTQETHWMHZ-UHFFFAOYSA-N 0 3 314.769 2.269 20 5 DEBDHN COc1cc(CNC[C@@H]2CCOC[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000285569929 218516064 /nfs/dbraw/zinc/51/60/64/218516064.db2.gz SKACGSKNGDZUKM-NEPJUHHUSA-N 0 3 324.377 2.374 20 5 DEBDHN CCC[C@@H](NC[C@H]1CN(C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000268902615 207070334 /nfs/dbraw/zinc/07/03/34/207070334.db2.gz LJOLXKYCXLDZQM-DLBZAZTESA-N 0 3 320.437 2.271 20 5 DEBDHN CCN1CCN([C@H](C)CNc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000059389358 184137786 /nfs/dbraw/zinc/13/77/86/184137786.db2.gz CEAPAGIDEYSBOI-GFCCVEGCSA-N 0 3 310.373 2.172 20 5 DEBDHN CCc1nn(C)c(N2CCCN(C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000538743325 285053932 /nfs/dbraw/zinc/05/39/32/285053932.db2.gz VBLKHXWGJDEMLY-UHFFFAOYSA-N 0 3 309.414 2.201 20 5 DEBDHN O=[N+]([O-])c1c(F)cccc1N1CCC(CN2CCOCC2)CC1 ZINC000267270211 285076393 /nfs/dbraw/zinc/07/63/93/285076393.db2.gz ZIOCFGDYPDFWHQ-UHFFFAOYSA-N 0 3 323.368 2.283 20 5 DEBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCN(C)CC ZINC000157382063 197183509 /nfs/dbraw/zinc/18/35/09/197183509.db2.gz ACOLVSYPNQODPP-UHFFFAOYSA-N 0 3 311.407 2.388 20 5 DEBDHN O=[N+]([O-])c1ccc(CNC[C@@H](O)Cc2cccc(F)c2)cc1 ZINC000294692701 224171896 /nfs/dbraw/zinc/17/18/96/224171896.db2.gz BVDCDUWHLUVHCZ-INIZCTEOSA-N 0 3 304.321 2.427 20 5 DEBDHN Cc1c(CC(=O)N2CCCC[C@H]2CN(C)C)cccc1[N+](=O)[O-] ZINC000120431582 195165128 /nfs/dbraw/zinc/16/51/28/195165128.db2.gz MGRXHUINAIPNLV-HNNXBMFYSA-N 0 3 319.405 2.388 20 5 DEBDHN O=[N+]([O-])c1ccc(Cl)cc1CNCCN1CCCOCC1 ZINC000289571281 221076320 /nfs/dbraw/zinc/07/63/20/221076320.db2.gz ZQOKOQAGMPKXGX-UHFFFAOYSA-N 0 3 313.785 2.060 20 5 DEBDHN COC[C@@]1(C(=O)OC)CCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000451340055 285319513 /nfs/dbraw/zinc/31/95/13/285319513.db2.gz VZKHTSYDCRUUDM-BLLLJJGKSA-N 0 3 322.361 2.167 20 5 DEBDHN Cc1cnn([C@@H]2CCN(CCOc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000290047452 221399816 /nfs/dbraw/zinc/39/98/16/221399816.db2.gz WVBUYRZRLXAVCE-OAHLLOKOSA-N 0 3 316.361 2.426 20 5 DEBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC1CN(C(C)=O)C1 ZINC000563417952 292055660 /nfs/dbraw/zinc/05/56/60/292055660.db2.gz NEEMMSQMJHELLT-LBPRGKRZSA-N 0 3 323.418 2.286 20 5 DEBDHN CCO[C@@H]1COCC[C@@H]1N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563419759 292055852 /nfs/dbraw/zinc/05/58/52/292055852.db2.gz YWSADMUJIWLTMB-IJEWVQPXSA-N 0 3 306.362 2.366 20 5 DEBDHN Cc1ccc(CN2CCNC[C@H]2c2ccncc2)cc1[N+](=O)[O-] ZINC000261932787 145244254 /nfs/dbraw/zinc/24/42/54/145244254.db2.gz CXLWOVZJUADGOM-KRWDZBQOSA-N 0 3 312.373 2.445 20 5 DEBDHN CC[C@H](NC[C@@H]1CN2CCC[C@@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000320854281 145375346 /nfs/dbraw/zinc/37/53/46/145375346.db2.gz XIIHNSQYJFCVOS-ZACQAIPSSA-N 0 3 319.405 2.499 20 5 DEBDHN CCOc1cccc(NC[C@@H]2CN3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000322346234 145378574 /nfs/dbraw/zinc/37/85/74/145378574.db2.gz CIXWKJIYAYCLEU-CHWSQXEVSA-N 0 3 321.377 2.269 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)[C@@H]1CCCOC1 ZINC000348140944 146223016 /nfs/dbraw/zinc/22/30/16/146223016.db2.gz CNEYZYMKMPOSGW-QWHCGFSZSA-N 0 3 321.377 2.246 20 5 DEBDHN O=[N+]([O-])c1ccc2[nH]c(CN[C@H]3CCC[C@@H]3CCO)nc2c1 ZINC000348147498 146223947 /nfs/dbraw/zinc/22/39/47/146223947.db2.gz GFKSJHOXHYQCAS-PWSUYJOCSA-N 0 3 304.350 2.112 20 5 DEBDHN COc1cc(CN(C)CCN2CCCC2)c([N+](=O)[O-])cc1OC ZINC000349034008 146342326 /nfs/dbraw/zinc/34/23/26/146342326.db2.gz BSWMQNJHFHFWHM-UHFFFAOYSA-N 0 3 323.393 2.140 20 5 DEBDHN O=[N+]([O-])c1ccc(CN[C@@H](CCO)C2CCOCC2)c(F)c1 ZINC000359575686 147354587 /nfs/dbraw/zinc/35/45/87/147354587.db2.gz DPLYLIFUJREVGL-HNNXBMFYSA-N 0 3 312.341 2.001 20 5 DEBDHN C[C@H](N[C@@H]1CCN(c2cnn(C)c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000371878000 148148310 /nfs/dbraw/zinc/14/83/10/148148310.db2.gz DFEPKPUYJGJBCE-GXTWGEPZSA-N 0 3 315.377 2.258 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1CN1CC[C@H]([C@@H]2CCOC2)C1 ZINC000374402600 148242774 /nfs/dbraw/zinc/24/27/74/148242774.db2.gz TVBYJRONHJVYJV-QWHCGFSZSA-N 0 3 306.362 2.462 20 5 DEBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000375472617 148377050 /nfs/dbraw/zinc/37/70/50/148377050.db2.gz KWUGWBBVLLHOSQ-WBVHZDCISA-N 0 3 319.405 2.328 20 5 DEBDHN O=[N+]([O-])c1ccccc1CN[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000375472612 148377311 /nfs/dbraw/zinc/37/73/11/148377311.db2.gz KWUGWBBVLLHOSQ-DOTOQJQBSA-N 0 3 319.405 2.328 20 5 DEBDHN O=[N+]([O-])c1ccccc1CN[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000375472616 148377347 /nfs/dbraw/zinc/37/73/47/148377347.db2.gz KWUGWBBVLLHOSQ-RDJZCZTQSA-N 0 3 319.405 2.328 20 5 DEBDHN O=C(NC[C@H]1CCN(C2CC2)C1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000071970342 401699861 /nfs/dbraw/zinc/69/98/61/401699861.db2.gz JKWUBSBFQDCISV-SNVBAGLBSA-N 0 3 323.780 2.462 20 5 DEBDHN Cc1c(CC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cccc1[N+](=O)[O-] ZINC000126822235 401709968 /nfs/dbraw/zinc/70/99/68/401709968.db2.gz CCZBHZPJOFTLRB-CABCVRRESA-N 0 3 317.389 2.141 20 5 DEBDHN CCN1CCCC[C@H]1CNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000111458575 401716322 /nfs/dbraw/zinc/71/63/22/401716322.db2.gz ZCHVSGKQZCJYJI-AWEZNQCLSA-N 0 3 320.393 2.268 20 5 DEBDHN CO[C@@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000076348040 401792507 /nfs/dbraw/zinc/79/25/07/401792507.db2.gz MMYMPDGTXQAYQC-CQSZACIVSA-N 0 3 321.377 2.343 20 5 DEBDHN CN(C[C@H]1CCCN(C)C1)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000115440983 401828510 /nfs/dbraw/zinc/82/85/10/401828510.db2.gz GKUYHFPSGLBBLG-HVHJFMEUSA-N 0 3 317.389 2.408 20 5 DEBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)N(C)C1CC1 ZINC000078651002 401860589 /nfs/dbraw/zinc/86/05/89/401860589.db2.gz LQQGURBLZMXZPW-VIFPVBQESA-N 0 3 311.769 2.461 20 5 DEBDHN CN(CCC1CC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000135273959 401933007 /nfs/dbraw/zinc/93/30/07/401933007.db2.gz NZNCMMPLDRWQAN-HNNXBMFYSA-N 0 3 303.362 2.432 20 5 DEBDHN CCN(CCNC(=O)CCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000151476603 402038616 /nfs/dbraw/zinc/03/86/16/402038616.db2.gz LWKUDUSPDWLYRH-UHFFFAOYSA-N 0 3 305.378 2.128 20 5 DEBDHN CC(C)CN(CCN(C)C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000058885689 402103042 /nfs/dbraw/zinc/10/30/42/402103042.db2.gz GKXGQQNFIPLYFK-UHFFFAOYSA-N 0 3 307.394 2.184 20 5 DEBDHN CCOC(=O)[C@@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000065208340 402123149 /nfs/dbraw/zinc/12/31/49/402123149.db2.gz IAJANBPAQPSONV-CYBMUJFWSA-N 0 3 322.361 2.249 20 5 DEBDHN COc1ccc(OCCN2CC[C@@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC000153461877 402146927 /nfs/dbraw/zinc/14/69/27/402146927.db2.gz LFDBPIKTRJNKJZ-MRXNPFEDSA-N 0 3 322.361 2.095 20 5 DEBDHN CCC[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)N(C)C ZINC000153700229 402163468 /nfs/dbraw/zinc/16/34/68/402163468.db2.gz MTOULJRGDIUFLO-HNNXBMFYSA-N 0 3 305.378 2.210 20 5 DEBDHN COc1ccc([C@H](O)CNCc2ccccc2[N+](=O)[O-])cc1 ZINC000067803719 402173078 /nfs/dbraw/zinc/17/30/78/402173078.db2.gz TZEMOVRYNGBCAP-MRXNPFEDSA-N 0 3 302.330 2.427 20 5 DEBDHN COCCNCCNc1ccc([N+](=O)[O-])cc1Br ZINC000215517552 402284272 /nfs/dbraw/zinc/28/42/72/402284272.db2.gz LLPYJFVIKFFIJW-UHFFFAOYSA-N 0 3 318.171 2.005 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000177068135 402366247 /nfs/dbraw/zinc/36/62/47/402366247.db2.gz LWWMWDHQFOVURW-NWDGAFQWSA-N 0 3 303.362 2.258 20 5 DEBDHN O=[N+]([O-])c1cnn(CCN2CCC(OCC3CCCC3)CC2)c1 ZINC000177481955 402407906 /nfs/dbraw/zinc/40/79/06/402407906.db2.gz FTXVTUQYLNYYLH-UHFFFAOYSA-N 0 3 322.409 2.463 20 5 DEBDHN CN(CCOc1cccc([N+](=O)[O-])c1)C[C@H]1CCCC[C@H]1O ZINC000245526852 402468413 /nfs/dbraw/zinc/46/84/13/402468413.db2.gz ATYBVBVNIDXPLO-CZUORRHYSA-N 0 3 308.378 2.457 20 5 DEBDHN C[C@@H]1CC[C@@H](CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)O1 ZINC000190878437 402629280 /nfs/dbraw/zinc/62/92/80/402629280.db2.gz XZPFYALMTNRBOJ-DYEKYZERSA-N 0 3 306.366 2.044 20 5 DEBDHN O=C(NC[C@H]1CCN(C2CC2)C1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175733943 402827855 /nfs/dbraw/zinc/82/78/55/402827855.db2.gz ZIHAILKAUWLWBX-SNVBAGLBSA-N 0 3 323.780 2.462 20 5 DEBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNCC2(CO)CCC2)c1 ZINC000184356770 402837988 /nfs/dbraw/zinc/83/79/88/402837988.db2.gz JMIGVHLEYGIACG-UHFFFAOYSA-N 0 3 316.304 2.448 20 5 DEBDHN CCN1CCC[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000195498696 402847631 /nfs/dbraw/zinc/84/76/31/402847631.db2.gz MUFYTEZBFSGMJN-LLVKDONJSA-N 0 3 316.361 2.290 20 5 DEBDHN CCN(CCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C1CC1 ZINC000264209406 402857817 /nfs/dbraw/zinc/85/78/17/402857817.db2.gz RKADEORICPWXSY-UHFFFAOYSA-N 0 3 316.361 2.290 20 5 DEBDHN C[C@H]1CN(C2CCOCC2)CCN1c1ccc([N+](=O)[O-])cc1 ZINC000278785428 402870708 /nfs/dbraw/zinc/87/07/08/402870708.db2.gz PRKQXAWDBFDYJJ-ZDUSSCGKSA-N 0 3 305.378 2.284 20 5 DEBDHN CCc1ccc(C(=O)N2CC[C@H]3CCN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000272441428 402937674 /nfs/dbraw/zinc/93/76/74/402937674.db2.gz IRQQUZRAOJKANP-CZUORRHYSA-N 0 3 317.389 2.323 20 5 DEBDHN COC[C@@H](O)CNCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000265409101 402916329 /nfs/dbraw/zinc/91/63/29/402916329.db2.gz MTGVHGUFAPHVFI-NSHDSACASA-N 0 3 322.386 2.420 20 5 DEBDHN CC1(C)C[C@H](NCCNC(=O)C2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000279222925 402917954 /nfs/dbraw/zinc/91/79/54/402917954.db2.gz ZDPGQWGARJSAON-HNNXBMFYSA-N 0 3 317.389 2.433 20 5 DEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(C2CCOCC2)CC1 ZINC000266982139 403005328 /nfs/dbraw/zinc/00/53/28/403005328.db2.gz ASBMKNRFPVDUFE-CQSZACIVSA-N 0 3 319.405 2.452 20 5 DEBDHN C[C@]1(NCC(=O)Nc2ccccc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000273115727 402973028 /nfs/dbraw/zinc/97/30/28/402973028.db2.gz YMOCHFXFJLYUII-HOTGVXAUSA-N 0 3 319.361 2.081 20 5 DEBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000274336932 403046132 /nfs/dbraw/zinc/04/61/32/403046132.db2.gz CCZDJFUEBUZWNE-RNCFNFMXSA-N 0 3 323.780 2.461 20 5 DEBDHN CCc1ccc(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000268280133 403070003 /nfs/dbraw/zinc/07/00/03/403070003.db2.gz XAOQUWGBLSSSIZ-NHYWBVRUSA-N 0 3 317.389 2.370 20 5 DEBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC3(C2)CCOCC3)c1 ZINC000269666427 403154925 /nfs/dbraw/zinc/15/49/25/403154925.db2.gz SIKHAGFLNOQDGB-HNNXBMFYSA-N 0 3 306.362 2.131 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)CN1CCCCC1 ZINC000277391366 403212761 /nfs/dbraw/zinc/21/27/61/403212761.db2.gz GBDHSWJYNKEYBY-GFCCVEGCSA-N 0 3 321.377 2.208 20 5 DEBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000270792617 403224893 /nfs/dbraw/zinc/22/48/93/403224893.db2.gz BBRGFHZEZBGSOF-GFCCVEGCSA-N 0 3 305.378 2.397 20 5 DEBDHN CN1CC[C@]2(CCN(C(=O)CCc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292113554 403295934 /nfs/dbraw/zinc/29/59/34/403295934.db2.gz FZZYEFDPUQIFSM-KRWDZBQOSA-N 0 3 317.389 2.082 20 5 DEBDHN CC(C)(C)[C@H](CCO)NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284179206 403252010 /nfs/dbraw/zinc/25/20/10/403252010.db2.gz REDZNLPKUIXXKW-ZDUSSCGKSA-N 0 3 311.338 2.390 20 5 DEBDHN O=C(NC[C@@H]1CCCCN1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000277767223 403254385 /nfs/dbraw/zinc/25/43/85/403254385.db2.gz DGQWCARTOWXSHI-HNNXBMFYSA-N 0 3 303.362 2.342 20 5 DEBDHN O=[N+]([O-])c1ccccc1CN[C@H](C1CC1)[C@]1(CO)CCCO1 ZINC000339764941 403442089 /nfs/dbraw/zinc/44/20/89/403442089.db2.gz VJZKVQMYWOXWBD-HZPDHXFCSA-N 0 3 306.362 2.005 20 5 DEBDHN Cc1c(CN[C@@H](C2CC2)[C@@]2(CO)CCCO2)cccc1[N+](=O)[O-] ZINC000339769541 403443198 /nfs/dbraw/zinc/44/31/98/403443198.db2.gz NPKYOTHEVIMIBM-IRXDYDNUSA-N 0 3 320.389 2.313 20 5 DEBDHN C[C@H]1C[C@@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCN1C ZINC000332125452 403491575 /nfs/dbraw/zinc/49/15/75/403491575.db2.gz CYEMOKDYUZKFSP-JQWIXIFHSA-N 0 3 316.361 2.289 20 5 DEBDHN CCN1C[C@@H](C)N(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C)C1 ZINC000332248248 403528443 /nfs/dbraw/zinc/52/84/43/403528443.db2.gz TVIBIGXLCUYCDG-VXGBXAGGSA-N 0 3 317.393 2.386 20 5 DEBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CCCN(C)[C@@H]2C)c1 ZINC000343448909 403595582 /nfs/dbraw/zinc/59/55/82/403595582.db2.gz CVTJOQDGHXMENF-ZYHUDNBSSA-N 0 3 307.350 2.276 20 5 DEBDHN C[C@H]1[C@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CCCN1C ZINC000343455835 403597644 /nfs/dbraw/zinc/59/76/44/403597644.db2.gz JVQIASYHOJZFLC-CMPLNLGQSA-N 0 3 318.377 2.374 20 5 DEBDHN C[C@@H]1C[C@@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCN1C ZINC000347259759 403640351 /nfs/dbraw/zinc/64/03/51/403640351.db2.gz DIYLBRHOAIOXOH-KOLCDFICSA-N 0 3 310.329 2.338 20 5 DEBDHN C[C@H](CNc1c([N+](=O)[O-])ncn1C)N(C)Cc1ccccc1 ZINC000347267802 403643450 /nfs/dbraw/zinc/64/34/50/403643450.db2.gz FCAJJSWWKCWVSK-GFCCVEGCSA-N 0 3 303.366 2.261 20 5 DEBDHN COc1c(C(=O)NCCN2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000354595357 403895541 /nfs/dbraw/zinc/89/55/41/403895541.db2.gz LFBUBMWGFDSNKA-LBPRGKRZSA-N 0 3 321.377 2.065 20 5 DEBDHN COC(=O)c1cc(CN(C)CCc2ccccc2[N+](=O)[O-])c[nH]1 ZINC000289399314 403943377 /nfs/dbraw/zinc/94/33/77/403943377.db2.gz OKVHPBUDYMODAY-UHFFFAOYSA-N 0 3 317.345 2.384 20 5 DEBDHN CC1CCN(CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000344238136 403999752 /nfs/dbraw/zinc/99/97/52/403999752.db2.gz LCCWXLTZNNCHSV-UHFFFAOYSA-N 0 3 309.341 2.196 20 5 DEBDHN COc1ccc(CNCCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000315028382 404006499 /nfs/dbraw/zinc/00/64/99/404006499.db2.gz MHBUKWKLCJHHBF-UHFFFAOYSA-N 0 3 303.318 2.167 20 5 DEBDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000344265713 404017655 /nfs/dbraw/zinc/01/76/55/404017655.db2.gz VIANUEQPCCVUIF-CHWSQXEVSA-N 0 3 305.378 2.126 20 5 DEBDHN CN1CCC2(CCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000352015919 404082675 /nfs/dbraw/zinc/08/26/75/404082675.db2.gz TVDBOYSEGOAPSC-UHFFFAOYSA-N 0 3 321.352 2.434 20 5 DEBDHN CCN(C)CCNC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000412117193 404143598 /nfs/dbraw/zinc/14/35/98/404143598.db2.gz LFWCDYXQXZATGS-UHFFFAOYSA-N 0 3 309.366 2.064 20 5 DEBDHN CCN1CCC[C@H]1CNc1ccc(CC(=O)OC)cc1[N+](=O)[O-] ZINC000296236589 404155833 /nfs/dbraw/zinc/15/58/33/404155833.db2.gz FBGCIQKCYBYTFJ-ZDUSSCGKSA-N 0 3 321.377 2.207 20 5 DEBDHN CC1(C)CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H]1C1CC1 ZINC000290497420 404192878 /nfs/dbraw/zinc/19/28/78/404192878.db2.gz AMGONVKJRQAUNW-BBRMVZONSA-N 0 3 320.389 2.455 20 5 DEBDHN C[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CCN(C2CC2)C1 ZINC000296833600 404333443 /nfs/dbraw/zinc/33/34/43/404333443.db2.gz WRCREDUISHGUHQ-DYVFJYSZSA-N 0 3 319.405 2.044 20 5 DEBDHN Cn1cc(C[C@H]2CCN(Cc3cccc([N+](=O)[O-])c3)C2)cn1 ZINC000370002511 404298580 /nfs/dbraw/zinc/29/85/80/404298580.db2.gz PSRPNUUFAYJVTF-CQSZACIVSA-N 0 3 300.362 2.393 20 5 DEBDHN CCCN(CCN(C)C)C(=O)c1cc(OCC)ccc1[N+](=O)[O-] ZINC000338526476 404382869 /nfs/dbraw/zinc/38/28/69/404382869.db2.gz ZXJFRZSAGRGUDY-UHFFFAOYSA-N 0 3 323.393 2.407 20 5 DEBDHN CC(C)OCC[C@H](O)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000352570875 404464481 /nfs/dbraw/zinc/46/44/81/404464481.db2.gz NHQNTLMSAIAVRN-HNNXBMFYSA-N 0 3 310.394 2.245 20 5 DEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[C@@H](C(=O)N(C)C)C1 ZINC000414498586 404657619 /nfs/dbraw/zinc/65/76/19/404657619.db2.gz NCHKXAAHUZERMW-BMQCOBNYSA-N 0 3 317.389 2.408 20 5 DEBDHN CC(=O)N1CC[C@@H](CN(C)[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000330447981 404662775 /nfs/dbraw/zinc/66/27/75/404662775.db2.gz IJNZOQULXIRFOD-JSGCOSHPSA-N 0 3 305.378 2.456 20 5 DEBDHN C[C@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](C)CN1C ZINC000330572775 404690845 /nfs/dbraw/zinc/69/08/45/404690845.db2.gz DQWDODYGRDQBNB-QWRGUYRKSA-N 0 3 306.366 2.003 20 5 DEBDHN CCN1C[C@H](C)N(CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000330586785 404694136 /nfs/dbraw/zinc/69/41/36/404694136.db2.gz SRIMFUJZZMMQNN-KBPBESRZSA-N 0 3 307.394 2.388 20 5 DEBDHN Cc1ccccc1CCN(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000451166168 404886336 /nfs/dbraw/zinc/88/63/36/404886336.db2.gz MUEKYSVRILWEKY-UHFFFAOYSA-N 0 3 315.373 2.239 20 5 DEBDHN CN(C)CCOC1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000353529600 404857790 /nfs/dbraw/zinc/85/77/90/404857790.db2.gz JHODJXMNNJYFBY-UHFFFAOYSA-N 0 3 307.394 2.137 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000415498638 404871536 /nfs/dbraw/zinc/87/15/36/404871536.db2.gz ISXQLLQQQHMDTF-ZWNOBZJWSA-N 0 3 322.365 2.138 20 5 DEBDHN CCc1cnccc1[C@@H](C)NCCn1cc([N+](=O)[O-])ccc1=O ZINC000361120156 404928843 /nfs/dbraw/zinc/92/88/43/404928843.db2.gz PYPDANTYAWVUBD-GFCCVEGCSA-N 0 3 316.361 2.065 20 5 DEBDHN CSc1ccc(C(=O)NCC2(N(C)C)CC2)cc1[N+](=O)[O-] ZINC000416287234 405086636 /nfs/dbraw/zinc/08/66/36/405086636.db2.gz DCSJGHVNPQTVAM-UHFFFAOYSA-N 0 3 309.391 2.141 20 5 DEBDHN CN(C)CCc1ccccc1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000354226297 405110651 /nfs/dbraw/zinc/11/06/51/405110651.db2.gz DBESZHZGCUJSIA-UHFFFAOYSA-N 0 3 316.361 2.290 20 5 DEBDHN CC(C)[C@]1(CO)CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000368071541 405226235 /nfs/dbraw/zinc/22/62/35/405226235.db2.gz UVEKKNRAYPTASL-MRXNPFEDSA-N 0 3 308.378 2.314 20 5 DEBDHN CC[C@H](NCc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H](C)O ZINC000449543273 405606558 /nfs/dbraw/zinc/60/65/58/405606558.db2.gz ODGQOSTWPJSFOS-KWQFWETISA-N 0 3 304.293 2.445 20 5 DEBDHN C[C@H](NC(=O)N(C)CCN1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000458889355 405642757 /nfs/dbraw/zinc/64/27/57/405642757.db2.gz NQGPKVXFXSRYBW-ZDUSSCGKSA-N 0 3 320.393 2.393 20 5 DEBDHN COc1ccc(C(=O)N(C)[C@@H]2CCN(C(C)C)C2)cc1[N+](=O)[O-] ZINC000457087682 405690214 /nfs/dbraw/zinc/69/02/14/405690214.db2.gz QOVZWPXITOBCRK-CYBMUJFWSA-N 0 3 321.377 2.158 20 5 DEBDHN CC(C)N1CC[C@H](N(C)C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000457093700 405695963 /nfs/dbraw/zinc/69/59/63/405695963.db2.gz YXESCNJEIHQILM-AWEZNQCLSA-N 0 3 305.378 2.078 20 5 DEBDHN CC[C@@H]1CN(CCN[C@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000494463951 405703547 /nfs/dbraw/zinc/70/35/47/405703547.db2.gz ICHWQYOXVFODAH-CZUORRHYSA-N 0 3 307.394 2.356 20 5 DEBDHN CCOc1cc(CN(C)C2CCN(OC)CC2)ccc1[N+](=O)[O-] ZINC000459583180 405967525 /nfs/dbraw/zinc/96/75/25/405967525.db2.gz SFVKJRCMLRUEFU-UHFFFAOYSA-N 0 3 323.393 2.451 20 5 DEBDHN CN(CCCN1CCCC1=O)CCc1ccccc1[N+](=O)[O-] ZINC000561313990 405919044 /nfs/dbraw/zinc/91/90/44/405919044.db2.gz GAKABIRAQVKNTA-UHFFFAOYSA-N 0 3 305.378 2.082 20 5 DEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CC=CCC2)cc1 ZINC000567605698 406104239 /nfs/dbraw/zinc/10/42/39/406104239.db2.gz ALILJLMAITXDEE-GFCCVEGCSA-N 0 3 310.375 2.067 20 5 DEBDHN CC(C)(C)N1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000525670973 406493473 /nfs/dbraw/zinc/49/34/73/406493473.db2.gz XYKKZEDFIRSIOP-UHFFFAOYSA-N 0 3 319.405 2.470 20 5 DEBDHN CSc1cccc(C(=O)NCCN2CC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000548276485 406494817 /nfs/dbraw/zinc/49/48/17/406494817.db2.gz QUPIWGGYNISEMG-LLVKDONJSA-N 0 3 323.418 2.388 20 5 DEBDHN CCN1CCC(NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000490855224 406497732 /nfs/dbraw/zinc/49/77/32/406497732.db2.gz ILRSYLVSUYCQRG-SREVYHEPSA-N 0 3 303.362 2.209 20 5 DEBDHN CN1CCC[C@@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000524254728 406443938 /nfs/dbraw/zinc/44/39/38/406443938.db2.gz NSGYUKMLVMCLOC-ZDUSSCGKSA-N 0 3 319.405 2.330 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1CNC[C@H](O)CC(F)(F)F ZINC000572030248 406596924 /nfs/dbraw/zinc/59/69/24/406596924.db2.gz JXXZSEOSBPOMPV-SNVBAGLBSA-N 0 3 308.256 2.006 20 5 DEBDHN CN(C)C[C@H]1CCCN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000491462971 406597972 /nfs/dbraw/zinc/59/79/72/406597972.db2.gz HUUAHZKRFMLFNO-XVJNWHFHSA-N 0 3 303.362 2.161 20 5 DEBDHN C[C@@H]1CCN(CCNC(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000491925864 406779493 /nfs/dbraw/zinc/77/94/93/406779493.db2.gz OZSMOORVSMIINK-FMFIFOJESA-N 0 3 303.362 2.066 20 5 DEBDHN CN(C)C1(CNC(=O)/C=C\c2ccccc2[N+](=O)[O-])CCC1 ZINC000492015514 406810468 /nfs/dbraw/zinc/81/04/68/406810468.db2.gz KRXXFIQRYYDOSG-HJWRWDBZSA-N 0 3 303.362 2.209 20 5 DEBDHN O=C1NCCCC[C@H]1N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192650655 225139919 /nfs/dbraw/zinc/13/99/19/225139919.db2.gz WYXNXWUPPSPNTB-HUUCEWRRSA-N 0 3 303.362 2.231 20 5 DEBDHN C[C@@H]1CN(CCCNc2ncc([N+](=O)[O-])cc2F)CCCO1 ZINC000413269103 228299276 /nfs/dbraw/zinc/29/92/76/228299276.db2.gz RRXNZGJBQOSUMG-LLVKDONJSA-N 0 3 312.345 2.042 20 5 DEBDHN Cc1ccc([C@H](C)NC(=O)N2CCN[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000417859656 229127470 /nfs/dbraw/zinc/12/74/70/229127470.db2.gz WWKBRJAPMJQLMG-RWMBFGLXSA-N 0 3 320.393 2.356 20 5 DEBDHN N[C@@H](C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)C1CCC1 ZINC000519148325 421681995 /nfs/dbraw/zinc/68/19/95/421681995.db2.gz BWHQHHIEOVASKG-CQSZACIVSA-N 0 3 315.333 2.051 20 5 DEBDHN CCN(CC)[C@@H](CNc1ccc(N)c([N+](=O)[O-])n1)c1ccco1 ZINC000590574741 424997805 /nfs/dbraw/zinc/99/78/05/424997805.db2.gz AVHIUUPOFXZLDB-LBPRGKRZSA-N 0 3 319.365 2.660 20 5 DEBDHN C[C@H]1C[C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCN1C ZINC000334042445 269009843 /nfs/dbraw/zinc/00/98/43/269009843.db2.gz NATUQXBHOONLPN-CABZTGNLSA-N 0 3 311.769 2.461 20 5 DEBDHN C[C@H](N[C@H]1CSC[C@@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000507213916 269315429 /nfs/dbraw/zinc/31/54/29/269315429.db2.gz QRSGOUBXFANSEM-KWBADKCTSA-N 0 3 309.391 2.263 20 5 DEBDHN COc1ccc2c(c1)ncc([N+](=O)[O-])c2NCCN(C)C1CC1 ZINC000450274481 274140006 /nfs/dbraw/zinc/14/00/06/274140006.db2.gz KHAKGYQMZBVADS-UHFFFAOYSA-N 0 3 316.361 2.080 20 5 DEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H](CO)CC(F)(F)F ZINC000449205060 274498800 /nfs/dbraw/zinc/49/88/00/274498800.db2.gz KNXCSUHQUVYBFQ-KOLCDFICSA-N 0 3 306.284 2.429 20 5 DEBDHN CC[C@H](N[C@@H](C)CN1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000155063219 276637943 /nfs/dbraw/zinc/63/79/43/276637943.db2.gz HECCWZXBZDTXTK-YOEHRIQHSA-N 0 3 320.437 2.271 20 5 DEBDHN CSc1cccc(C(=O)N(C)C[C@@H]2CCCN2C)c1[N+](=O)[O-] ZINC000421711069 278175444 /nfs/dbraw/zinc/17/54/44/278175444.db2.gz NQDWRRWPNMQTDQ-NSHDSACASA-N 0 3 323.418 2.483 20 5 DEBDHN C[C@H](NC[C@H]1CCCS(=O)(=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000287041393 278264819 /nfs/dbraw/zinc/26/48/19/278264819.db2.gz MIBLFNZXIBXXDR-NWDGAFQWSA-N 0 3 312.391 2.070 20 5 DEBDHN C[C@H](CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N(C)C ZINC000294465196 279344669 /nfs/dbraw/zinc/34/46/69/279344669.db2.gz SLLHJYQJDDOMJM-MRVPVSSYSA-N 0 3 319.283 2.294 20 5 DEBDHN CN(C)CC1(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000492642677 289095307 /nfs/dbraw/zinc/09/53/07/289095307.db2.gz QKIFXZYBOAQOHB-TWGQIWQCSA-N 0 3 303.362 2.209 20 5 DEBDHN C[C@@H](C(=O)N(C)C[C@@H]1CCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000575800961 326246638 /nfs/dbraw/zinc/24/66/38/326246638.db2.gz WFFVNWHAMKBLFH-ZIAGYGMSSA-N 0 3 319.405 2.499 20 5 DEBDHN CCOC(=O)[C@@H](C)[C@@H](C)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000338305609 521040013 /nfs/dbraw/zinc/04/00/13/521040013.db2.gz SNTSVBWLDHLLQP-WDEREUQCSA-N 0 3 310.350 2.281 20 5 DEBDHN CN(C)CCN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C1CC1 ZINC000356300443 524059569 /nfs/dbraw/zinc/05/95/69/524059569.db2.gz OZZUAJRWBXTIMY-UHFFFAOYSA-N 0 3 311.769 2.414 20 5 DEBDHN CC[C@H]1CN(CC)CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000451736660 536142370 /nfs/dbraw/zinc/14/23/70/536142370.db2.gz ZKSJIZYALMZJDT-AWEZNQCLSA-N 0 3 307.394 2.390 20 5 DEBDHN CO[C@@H]1CCC[C@H]1N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000451632274 536648789 /nfs/dbraw/zinc/64/87/89/536648789.db2.gz NTEJHFCUPXNVQV-ZLKJLUDKSA-N 0 3 307.350 2.079 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000247270492 536951058 /nfs/dbraw/zinc/95/10/58/536951058.db2.gz FMOLJEYMQQWVIX-SMDDNHRTSA-N 0 3 321.377 2.016 20 5 DEBDHN C[C@@](CO)(Cc1ccc(F)cc1)NCc1cccnc1[N+](=O)[O-] ZINC000933444348 624460842 /nfs/dbraw/zinc/46/08/42/624460842.db2.gz LJNDWJHSNKRCDA-INIZCTEOSA-N 0 3 319.336 2.212 20 5 DEBDHN Cc1cc(CNCCn2cc([N+](=O)[O-])cn2)c2c(n1)CCCC2 ZINC000893135699 625132723 /nfs/dbraw/zinc/13/27/23/625132723.db2.gz QQXWGEZSPCNUKV-UHFFFAOYSA-N 0 3 315.377 2.163 20 5 DEBDHN COc1cccc(C(=O)NCCN2CCC(C)(C)C2)c1[N+](=O)[O-] ZINC000890071700 634829784 /nfs/dbraw/zinc/82/97/84/634829784.db2.gz FPSIUUCPKYGDLB-UHFFFAOYSA-N 0 3 321.377 2.065 20 5 DEBDHN C[C@H](NC(=O)N[C@@H]1CCN(C)[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000921807722 635350983 /nfs/dbraw/zinc/35/09/83/635350983.db2.gz SJWPECPPZDWMME-GMXVVIOVSA-N 0 3 306.366 2.048 20 5 DEBDHN COc1c([O-])ccc(CN(C)[C@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000894793676 637217268 /nfs/dbraw/zinc/21/72/68/637217268.db2.gz GIMQQXLCUBUCSK-ZDUSSCGKSA-N 0 3 323.393 2.224 20 5 DEBDHN COc1c([O-])ccc(CN(C)[C@H]2CC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000894793676 637217270 /nfs/dbraw/zinc/21/72/70/637217270.db2.gz GIMQQXLCUBUCSK-ZDUSSCGKSA-N 0 3 323.393 2.224 20 5 DEBDHN C[C@H]1[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000928451508 637263411 /nfs/dbraw/zinc/26/34/11/637263411.db2.gz UENBIHAODHCOAQ-SMDDNHRTSA-N 0 3 305.378 2.081 20 5 DEBDHN COc1c(O)ccc(CN2CCC[C@H](CCO)CC2)c1[N+](=O)[O-] ZINC000894988899 637362847 /nfs/dbraw/zinc/36/28/47/637362847.db2.gz YPZHCYFSEGDDPM-LBPRGKRZSA-N 0 3 324.377 2.294 20 5 DEBDHN O=[N+]([O-])c1ccc(N2CCN(CCC3(O)CCC3)CC2)cc1 ZINC000839459005 637884069 /nfs/dbraw/zinc/88/40/69/637884069.db2.gz ZXQIFPQASSBQEQ-UHFFFAOYSA-N 0 3 305.378 2.022 20 5 DEBDHN CCN1CCC[C@@H]1CNC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000895538651 638076743 /nfs/dbraw/zinc/07/67/43/638076743.db2.gz GSZGPJUDYQOULY-CYBMUJFWSA-N 0 3 305.378 2.426 20 5 DEBDHN C[C@H]1CCCN1CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000744345889 638212739 /nfs/dbraw/zinc/21/27/39/638212739.db2.gz TYIFNMDTBFFEMN-JTQLQIEISA-N 0 3 311.769 2.462 20 5 DEBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841011616 650406327 /nfs/dbraw/zinc/40/63/27/650406327.db2.gz SNTRFPKDGOIOIZ-DTWKUNHWSA-N 0 3 312.757 2.462 20 5 DEBDHN COC(=O)C[C@H](NCc1cc([N+](=O)[O-])ccc1OC)C1CC1 ZINC000754513508 639438180 /nfs/dbraw/zinc/43/81/80/639438180.db2.gz IIPKTEOGMVVPFB-ZDUSSCGKSA-N 0 3 308.334 2.035 20 5 DEBDHN O=[N+]([O-])c1ccc2c(cnn2CN2CCC[C@H]3COCC[C@H]32)c1 ZINC000756887088 639710056 /nfs/dbraw/zinc/71/00/56/639710056.db2.gz MTTNLHKJUXUSQW-SWLSCSKDSA-N 0 3 316.361 2.403 20 5 DEBDHN COCCN1CC[C@@H](N[C@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872035883 639889158 /nfs/dbraw/zinc/88/91/58/639889158.db2.gz OIHORCUQCGGJOD-VXGBXAGGSA-N 0 3 311.357 2.105 20 5 DEBDHN Cc1cc(F)cc(C(=O)NCCN2CC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000758506314 639966313 /nfs/dbraw/zinc/96/63/13/639966313.db2.gz XBFOSNILFUMQHT-SNVBAGLBSA-N 0 3 309.341 2.114 20 5 DEBDHN Cc1cc(F)cc(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000758598425 639977253 /nfs/dbraw/zinc/97/72/53/639977253.db2.gz XZTDTSZTNBMWSO-QMTHXVAHSA-N 0 3 321.352 2.255 20 5 DEBDHN CC(C)CO[C@H]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776587111 642189728 /nfs/dbraw/zinc/18/97/28/642189728.db2.gz UIVPAGOHAJUPEC-HOTGVXAUSA-N 0 3 308.378 2.375 20 5 DEBDHN COc1cc([C@H](C)NCCOC[C@@H]2CCOC2)cc([N+](=O)[O-])c1 ZINC000903092474 643252726 /nfs/dbraw/zinc/25/27/26/643252726.db2.gz KBJIBCXAWLBWAK-QWHCGFSZSA-N 0 3 324.377 2.307 20 5 DEBDHN COc1cc([C@H](C)N[C@H](C)CC[S@](C)=O)cc([N+](=O)[O-])c1 ZINC000903125012 643260887 /nfs/dbraw/zinc/26/08/87/643260887.db2.gz JTLMEBMVLIMHHD-NNOLRYQLSA-N 0 3 314.407 2.411 20 5 DEBDHN CCN1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000910290201 645393028 /nfs/dbraw/zinc/39/30/28/645393028.db2.gz YIOJDJJTOQYGRF-LLVKDONJSA-N 0 3 309.341 2.290 20 5 DEBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000843786067 651029437 /nfs/dbraw/zinc/02/94/37/651029437.db2.gz PYKJEKPTFXBURC-LBPRGKRZSA-N 0 3 321.352 2.353 20 5 DEBDHN CC(C)(C)N1CC[C@](F)(C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000810244925 646344416 /nfs/dbraw/zinc/34/44/16/646344416.db2.gz KCZUMCHQPWODJN-MRXNPFEDSA-N 0 3 323.368 2.424 20 5 DEBDHN COc1ccc2nc(C)c(C(=O)OCC(C)[N+](=O)[O-])cc2c1 ZINC000813099890 646727936 /nfs/dbraw/zinc/72/79/36/646727936.db2.gz GFTGKFOHBKBURD-VIFPVBQESA-N 0 3 304.302 2.374 20 5 DEBDHN CC(COC(=O)c1ccc(OCC(F)(F)F)cc1)[N+](=O)[O-] ZINC000813100074 646728007 /nfs/dbraw/zinc/72/80/07/646728007.db2.gz LRGRRFYJPBYVEZ-QMMMGPOBSA-N 0 3 307.224 2.450 20 5 DEBDHN CC(COC(=O)COc1ccc(C(F)(F)F)cc1)[N+](=O)[O-] ZINC000813101806 646729050 /nfs/dbraw/zinc/72/90/50/646729050.db2.gz JDLNKBSXQCIMMZ-MRVPVSSYSA-N 0 3 307.224 2.293 20 5 DEBDHN CC(COC(=O)c1cc(Br)ccc1F)[N+](=O)[O-] ZINC000813108924 646730471 /nfs/dbraw/zinc/73/04/71/646730471.db2.gz CGPOEHUHQCFANZ-LURJTMIESA-N 0 3 306.087 2.410 20 5 DEBDHN CC(C)=CC(=O)NCc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813111219 646731247 /nfs/dbraw/zinc/73/12/47/646731247.db2.gz CZRYBVRSFHDQSA-LBPRGKRZSA-N 0 3 320.345 2.091 20 5 DEBDHN CC(COC(=O)c1ccn(-c2cccc(Cl)c2)n1)[N+](=O)[O-] ZINC000813111974 646731461 /nfs/dbraw/zinc/73/14/61/646731461.db2.gz MAHAWXZAAXXOQP-VIFPVBQESA-N 0 3 309.709 2.348 20 5 DEBDHN CSc1cccc(C(=O)OCC(C)[N+](=O)[O-])c1[N+](=O)[O-] ZINC000813114724 646733171 /nfs/dbraw/zinc/73/31/71/646733171.db2.gz VTJQAHJUODONNV-ZETCQYMHSA-N 0 3 300.292 2.139 20 5 DEBDHN C[Si](C)(C)CN1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000815268462 646995708 /nfs/dbraw/zinc/99/57/08/646995708.db2.gz PGYOGROIXVBGKP-UHFFFAOYSA-N 0 3 321.453 2.230 20 5 DEBDHN O=[N+]([O-])c1ccc([C@@H](O)CNCc2ccc(CO)c(F)c2)cc1 ZINC000819166501 647599263 /nfs/dbraw/zinc/59/92/63/647599263.db2.gz WESGORWMLDVDGB-INIZCTEOSA-N 0 3 320.320 2.049 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000820832319 647927953 /nfs/dbraw/zinc/92/79/53/647927953.db2.gz VWXQPIPFWYYAPW-SMDDNHRTSA-N 0 3 317.389 2.424 20 5 DEBDHN CCN(C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000824840763 648660676 /nfs/dbraw/zinc/66/06/76/648660676.db2.gz DICZUXZAWWFUBG-OWCLPIDISA-N 0 3 317.389 2.251 20 5 DEBDHN COc1cc(C(=O)O[C@@H](C)CN2CCCC2)ccc1[N+](=O)[O-] ZINC000845669630 651268585 /nfs/dbraw/zinc/26/85/85/651268585.db2.gz VDMONVLMUREPQH-NSHDSACASA-N 0 3 308.334 2.245 20 5 DEBDHN CC([C@@H](OC(=O)c1ccn(C)n1)c1ccccc1F)[N+](=O)[O-] ZINC000845876989 651291715 /nfs/dbraw/zinc/29/17/15/651291715.db2.gz CTZGISSEUDQCKS-TVQRCGJNSA-N 0 3 307.281 2.123 20 5 DEBDHN C[C@H]1CN(CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)C[C@H]1C ZINC000848480760 651461737 /nfs/dbraw/zinc/46/17/37/651461737.db2.gz SSDVVPWKCPGUGT-ZENOOKHLSA-N 0 3 317.389 2.456 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCC1(C)OCCO1 ZINC000850461148 651933536 /nfs/dbraw/zinc/93/35/36/651933536.db2.gz HVSMIDDQSOFCFN-NSHDSACASA-N 0 3 310.350 2.407 20 5 DEBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)c1ccccn1 ZINC000852018703 652315550 /nfs/dbraw/zinc/31/55/50/652315550.db2.gz PHKMFVZCVDMOPD-MRXNPFEDSA-N 0 3 301.346 2.198 20 5 DEBDHN CO[C@@]1(CNCc2cc(Cl)ccc2[N+](=O)[O-])CCOC1 ZINC000122886184 684120145 /nfs/dbraw/zinc/12/01/45/684120145.db2.gz NYZAFHJWACRPQY-CYBMUJFWSA-N 0 3 300.742 2.143 20 5 DEBDHN COCCN1[C@H](C)CN(Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000130254093 684187064 /nfs/dbraw/zinc/18/70/64/684187064.db2.gz FMYHQBYYUWOQFM-OKILXGFUSA-N 0 3 307.394 2.136 20 5 DEBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)C1(O)CCC1 ZINC000929337205 693939094 /nfs/dbraw/zinc/93/90/94/693939094.db2.gz CETKXKSFTOVDDM-HNNXBMFYSA-N 0 3 308.378 2.081 20 5 DEBDHN CC[C@@H](C[C@H](C)O)NCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000865871349 687363419 /nfs/dbraw/zinc/36/34/19/687363419.db2.gz BUTCUMNGUBSSMI-JQWIXIFHSA-N 0 3 312.366 2.251 20 5 DEBDHN CC(C)(NC[C@@H]1C[C@@H]2COC[C@@H]2O1)c1ccccc1[N+](=O)[O-] ZINC000930555209 694188536 /nfs/dbraw/zinc/18/85/36/694188536.db2.gz TXINIVREEHGRCY-XUJVJEKNSA-N 0 3 306.362 2.223 20 5 DEBDHN O=C(N[C@@H]1CCN(C2CC2)C1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000930677120 694216130 /nfs/dbraw/zinc/21/61/30/694216130.db2.gz XJFHZWBSPLMQCF-DAXOMENPSA-N 0 3 315.373 2.051 20 5 DEBDHN C[C@@H](N[C@@H](C)CN1CCN(C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872035812 688917250 /nfs/dbraw/zinc/91/72/50/688917250.db2.gz ZBCCAIZZQNOGRV-QWHCGFSZSA-N 0 3 324.400 2.020 20 5 DEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H]2CCCC[C@@H]2F)c1 ZINC000872218772 688956091 /nfs/dbraw/zinc/95/60/91/688956091.db2.gz NNGYXPXVXWPTIB-VHDGCEQUSA-N 0 3 312.341 2.205 20 5 DEBDHN CCOC(=O)N1CC[C@H](NCc2cccc([N+](=O)[O-])c2C)C1 ZINC000873107125 689159167 /nfs/dbraw/zinc/15/91/67/689159167.db2.gz JNEHBAUOUGDKLT-ZDUSSCGKSA-N 0 3 307.350 2.224 20 5 DEBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000874845921 689515881 /nfs/dbraw/zinc/51/58/81/689515881.db2.gz WWTMNQDYQXTLHC-KGLIPLIRSA-N 0 3 307.325 2.043 20 5 DEBDHN O=C1CCN(Cc2cccc([N+](=O)[O-])c2)CCCCCCN1 ZINC000877685921 690190919 /nfs/dbraw/zinc/19/09/19/690190919.db2.gz KTDJNXDZOUJTDC-UHFFFAOYSA-N 0 3 305.378 2.477 20 5 DEBDHN CCOC(=O)c1cc(NC[C@@H]2CCN2CC)ccc1[N+](=O)[O-] ZINC000882960345 691397694 /nfs/dbraw/zinc/39/76/94/691397694.db2.gz HHYQUXBORDAOQG-LBPRGKRZSA-N 0 3 307.350 2.278 20 5 DEBDHN O=[N+]([O-])c1cc2c(cc1CN[C@@H](CO)CC1CCC1)OCCO2 ZINC000883126616 691435404 /nfs/dbraw/zinc/43/54/04/691435404.db2.gz VIPHZOGHHQQNMN-CYBMUJFWSA-N 0 3 322.361 2.007 20 5 DEBDHN O=C1C[C@@H](NC/C=C/c2ccccc2[N+](=O)[O-])CN1CC1CC1 ZINC000883403890 691499310 /nfs/dbraw/zinc/49/93/10/691499310.db2.gz ICIUQGRSPFVGPV-SJDLMVEWSA-N 0 3 315.373 2.209 20 5 DEBDHN Cc1nc(C2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)[nH]c1C ZINC000886664081 692152501 /nfs/dbraw/zinc/15/25/01/692152501.db2.gz AYXXOXHZPNQPEQ-UHFFFAOYSA-N 0 3 318.381 2.011 20 5 DEBDHN O=[N+]([O-])c1ccc(NC[C@H]2CCN2C2CCOCC2)c(F)c1 ZINC000896519320 693002948 /nfs/dbraw/zinc/00/29/48/693002948.db2.gz ULEVILHDOOHIPT-CYBMUJFWSA-N 0 3 309.341 2.399 20 5 DEBDHN Cc1ccc([C@@H](C)NC[C@@H](O)c2ccnn2C)cc1[N+](=O)[O-] ZINC000927131555 693558315 /nfs/dbraw/zinc/55/83/15/693558315.db2.gz JOLKWVONXIARMS-IAQYHMDHSA-N 0 3 304.350 2.021 20 5 DEBDHN COc1cc([C@@H](C)N[C@H](CCO)CSC)cc([N+](=O)[O-])c1 ZINC001334754975 1150339742 /nfs/dbraw/zinc/33/97/42/1150339742.db2.gz IOFFBWHLWJBIJD-ZYHUDNBSSA-N 0 3 314.407 2.368 20 5 DEBDHN NCc1ccnn1-c1cc2ccc(Cl)nc2cc1[N+](=O)[O-] ZINC001155130523 784289636 /nfs/dbraw/zinc/28/96/36/784289636.db2.gz WNDNVQXJVUEVMG-UHFFFAOYSA-N 0 3 303.709 2.441 20 5 DEBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2CCN(Cc3ccc(F)cc3)CC2)C1 ZINC001169009074 785001584 /nfs/dbraw/zinc/00/15/84/785001584.db2.gz VBCFTWPQLBAIAJ-DOTOQJQBSA-N 0 3 321.396 2.389 20 5 DEBDHN COc1ccc(C[C@H](C)N2CCC[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC001170328281 786911233 /nfs/dbraw/zinc/91/12/33/786911233.db2.gz ITENQDXJBWRBPO-QWHCGFSZSA-N 0 3 308.378 2.239 20 5 DEBDHN COc1ccc(C[C@H](C)N2CCC[C@](C)(O)C2)c([N+](=O)[O-])c1 ZINC001170348506 786931776 /nfs/dbraw/zinc/93/17/76/786931776.db2.gz XVAUXWHSDQVLFF-LRDDRELGSA-N 0 3 308.378 2.381 20 5 DEBDHN CCc1ccc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)o1 ZINC001130352255 787358437 /nfs/dbraw/zinc/35/84/37/787358437.db2.gz UVXKXPJWVFSELX-UHFFFAOYSA-N 0 3 317.345 2.270 20 5 DEBDHN C[C@@H](Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@@H]1CNCCO1 ZINC001170567587 787643349 /nfs/dbraw/zinc/64/33/49/787643349.db2.gz KOFPDIXFEOCUIG-PELKAZGASA-N 0 3 319.283 2.402 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)NCc2cccnn2)c1F ZINC001173175127 793619136 /nfs/dbraw/zinc/61/91/36/793619136.db2.gz AGUANNWKJLQEAG-JTQLQIEISA-N 0 3 320.324 2.253 20 5 DEBDHN Cc1c[nH]cc1C(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001176049864 794347675 /nfs/dbraw/zinc/34/76/75/794347675.db2.gz ZNNBCGRCBSXFPW-UHFFFAOYSA-N 0 3 316.361 2.141 20 5 DEBDHN C[C@@H](C(=O)NC[C@@H]1CCCCN1C)c1ccc([N+](=O)[O-])cc1F ZINC001120727267 795520550 /nfs/dbraw/zinc/52/05/50/795520550.db2.gz TYSZENAYNAUAOI-YPMHNXCESA-N 0 3 323.368 2.438 20 5 DEBDHN CC(C)OCCCC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001153450177 797340620 /nfs/dbraw/zinc/34/06/20/797340620.db2.gz RSHOVGMCUFCTAH-UHFFFAOYSA-N 0 3 323.393 2.006 20 5 DEBDHN Cc1cnc(N[C@H]2CCCC[C@@]23CNCCO3)c([N+](=O)[O-])c1 ZINC001155824893 797856959 /nfs/dbraw/zinc/85/69/59/797856959.db2.gz XUJNNWPIRVCMCF-DZGCQCFKSA-N 0 3 306.366 2.011 20 5 DEBDHN O=C(/C=C\C1CC1)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001156174121 797938922 /nfs/dbraw/zinc/93/89/22/797938922.db2.gz UHPPWKXBWWWUKT-HJWRWDBZSA-N 0 3 303.362 2.157 20 5 DEBDHN COc1cc(C)nc(-n2nc(CN)c3ccccc32)c1[N+](=O)[O-] ZINC001156855290 798095301 /nfs/dbraw/zinc/09/53/01/798095301.db2.gz AXPXXJPUFMKFJJ-UHFFFAOYSA-N 0 3 313.317 2.104 20 5 DEBDHN NCc1cnnn1-c1ccc2ccc3ccc(Cl)nc3c2n1 ZINC001158423738 798405564 /nfs/dbraw/zinc/40/55/64/798405564.db2.gz ZMACFJMJVCOGOU-UHFFFAOYSA-N 0 3 310.748 2.476 20 5 DEBDHN O=[N+]([O-])c1ccc2nc(Cl)nc(N3CCN4CC[C@@H]4C3)c2c1 ZINC001158423252 798405658 /nfs/dbraw/zinc/40/56/58/798405658.db2.gz JKSFYCXFAJVOOG-SNVBAGLBSA-N 0 3 319.752 2.086 20 5 DEBDHN Cc1cc(-n2cnc(CN)c2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001162298308 799053826 /nfs/dbraw/zinc/05/38/26/799053826.db2.gz DDVPOSKOLBLBPB-UHFFFAOYSA-N 0 3 310.317 2.005 20 5 DEBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC(O)(C3CCC3)CC2)cc1 ZINC000932820447 799944182 /nfs/dbraw/zinc/94/41/82/799944182.db2.gz OVVFEHQZWZMGIT-INIZCTEOSA-N 0 3 320.389 2.255 20 5 DEBDHN O=[N+]([O-])c1ccc(CCNCc2nc(-c3ccccn3)n[nH]2)cc1 ZINC001205803606 800423245 /nfs/dbraw/zinc/42/32/45/800423245.db2.gz QTKUQPXEPDDBLD-UHFFFAOYSA-N 0 3 324.344 2.107 20 5 DEBDHN CCN1CC[C@H](Oc2cc(C)c([N+](=O)[O-])cc2C(=O)OC)C1 ZINC001229958837 801343001 /nfs/dbraw/zinc/34/30/01/801343001.db2.gz WMGLINWOJCVYNG-NSHDSACASA-N 0 3 308.334 2.163 20 5 DEBDHN COCCN1CCC(Oc2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC001226445015 803109275 /nfs/dbraw/zinc/10/92/75/803109275.db2.gz CROOHUDHQLBCNF-UHFFFAOYSA-N 0 3 310.350 2.093 20 5 DEBDHN CCN1CCC[C@@H](Oc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC001227044934 803192848 /nfs/dbraw/zinc/19/28/48/803192848.db2.gz RYSZLCPBDBKERD-GFCCVEGCSA-N 0 3 308.334 2.245 20 5 DEBDHN CCN1CC[C@H](Oc2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC001227218865 803217080 /nfs/dbraw/zinc/21/70/80/803217080.db2.gz DJRQLKVZCFDROC-NSHDSACASA-N 0 3 303.318 2.322 20 5 DEBDHN Cc1nc(Cl)nc(OC2CCN(C3CC3)CC2)c1[N+](=O)[O-] ZINC001227339756 803231853 /nfs/dbraw/zinc/23/18/53/803231853.db2.gz KTZKXFPXXMCZGZ-UHFFFAOYSA-N 0 3 312.757 2.352 20 5 DEBDHN C[C@@H](NC(=O)N1CCN[C@@H](C)[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC001335647539 1150488875 /nfs/dbraw/zinc/48/88/75/1150488875.db2.gz VUFBXGZUDXLSOC-TUAOUCFPSA-N 0 3 306.366 2.048 20 5 DEBDHN C[C@@H](NC(=O)N1CCN[C@H](C)[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC001335647535 1150489581 /nfs/dbraw/zinc/48/95/81/1150489581.db2.gz VUFBXGZUDXLSOC-IJLUTSLNSA-N 0 3 306.366 2.048 20 5 DEBDHN CC(C)N1CCC[C@H]1C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001336053989 1150607811 /nfs/dbraw/zinc/60/78/11/1150607811.db2.gz AFFZAWXNMRFBGE-HNNXBMFYSA-N 0 3 303.362 2.310 20 5 DEBDHN COC(=O)COc1ccc(CNC/C=C/C2CC2)cc1[N+](=O)[O-] ZINC001343897307 1150782402 /nfs/dbraw/zinc/78/24/02/1150782402.db2.gz XFCAEUIULTYGCG-NSCUHMNNSA-N 0 3 320.345 2.202 20 5 DEBDHN O=[N+]([O-])c1ccc([O-])cc1CN1CCCC2(CC[NH2+]CC2)C1 ZINC001346217228 1150952350 /nfs/dbraw/zinc/95/23/50/1150952350.db2.gz FWPVCWGUWIGJRQ-UHFFFAOYSA-N 0 3 305.378 2.266 20 5 DEBDHN CC[C@@H](C)[N@H+](CC)Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604007639 1070174781 /nfs/dbraw/zinc/17/47/81/1070174781.db2.gz PUSZOBFBNGZCDT-SNVBAGLBSA-N 0 3 304.354 2.395 20 5 DEBDHN CC[C@@H](C)[N@@H+](CC)Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604007639 1070174790 /nfs/dbraw/zinc/17/47/90/1070174790.db2.gz PUSZOBFBNGZCDT-SNVBAGLBSA-N 0 3 304.354 2.395 20 5 DEBDHN C[C@@H]([NH2+]Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C1CCCC1 ZINC001605404949 1070705019 /nfs/dbraw/zinc/70/50/19/1070705019.db2.gz UJPNVQYKZSDSGW-SNVBAGLBSA-N 0 3 316.365 2.443 20 5 DEBDHN C[C@@H]([NH2+]Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C1CCCC1 ZINC001605404949 1070705029 /nfs/dbraw/zinc/70/50/29/1070705029.db2.gz UJPNVQYKZSDSGW-SNVBAGLBSA-N 0 3 316.365 2.443 20 5 DEBDHN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](C)CN2CCC(C)CC2)n1 ZINC001629321288 1078314588 /nfs/dbraw/zinc/31/45/88/1078314588.db2.gz VAJKAYSYACZKDY-CYBMUJFWSA-N 0 3 320.393 2.148 20 5 DEBDHN CN(C)CCONC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001329295076 1148881610 /nfs/dbraw/zinc/88/16/10/1148881610.db2.gz DLQQZVYCIWCHEQ-UHFFFAOYSA-N 0 3 309.347 2.033 20 5 DEBDHN CCN1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)C(C)(C)C1 ZINC001558524669 1075097426 /nfs/dbraw/zinc/09/74/26/1075097426.db2.gz DEWYCHILNMKURP-AWEZNQCLSA-N 0 3 321.377 2.064 20 5 DEBDHN O=C(N[C@@]12CCN(C1)CCC2)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001587945477 1076430735 /nfs/dbraw/zinc/43/07/35/1076430735.db2.gz ZWKZKUYIHBNTEP-INIZCTEOSA-N 0 3 314.345 2.044 20 5 DEBDHN CC1(C)CC[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590091889 1076562162 /nfs/dbraw/zinc/56/21/62/1076562162.db2.gz BCHVDZGUVSYYER-GFCCVEGCSA-N 0 3 302.338 2.053 20 5 DEBDHN CC[C@@H]1CCC[N@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001590514037 1076645551 /nfs/dbraw/zinc/64/55/51/1076645551.db2.gz YQBSXAIJSJMVKN-LLVKDONJSA-N 0 3 316.365 2.397 20 5 DEBDHN CC[C@@H]1CCC[N@@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001590514037 1076645553 /nfs/dbraw/zinc/64/55/53/1076645553.db2.gz YQBSXAIJSJMVKN-LLVKDONJSA-N 0 3 316.365 2.397 20 5 DEBDHN CC[C@@H]1CCC[N@H+](Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001590514037 1076645554 /nfs/dbraw/zinc/64/55/54/1076645554.db2.gz YQBSXAIJSJMVKN-LLVKDONJSA-N 0 3 316.365 2.397 20 5 DEBDHN CC[C@@H]1CCC[N@@H+](Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001590514037 1076645556 /nfs/dbraw/zinc/64/55/56/1076645556.db2.gz YQBSXAIJSJMVKN-LLVKDONJSA-N 0 3 316.365 2.397 20 5 DEBDHN O=C1Nc2ccccc2C[C@H]1NCCc1ccc([N+](=O)[O-])cc1 ZINC001660463005 1080335712 /nfs/dbraw/zinc/33/57/12/1080335712.db2.gz OJHIFRAZOQRWCN-MRXNPFEDSA-N 0 3 311.341 2.290 20 5 DEBDHN C/C=C(\C)C(=O)NCCCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC001490176705 1093233979 /nfs/dbraw/zinc/23/39/79/1093233979.db2.gz UPVDBQJHWYMWBN-YIXHJXPBSA-N 0 3 305.378 2.499 20 5 DEBDHN COc1ccc(CCNCc2ccc([N+](=O)[O-])cc2F)cn1 ZINC001329529401 1148913802 /nfs/dbraw/zinc/91/38/02/1148913802.db2.gz FWFLIUKIXYBFDZ-UHFFFAOYSA-N 0 3 305.309 2.470 20 5 DEBDHN Cc1cc(NCCN(C)CCO)c([N+](=O)[O-])cc1C(F)(F)F ZINC001307208741 1139712923 /nfs/dbraw/zinc/71/29/23/1139712923.db2.gz QATUHSYWUNSRQP-UHFFFAOYSA-N 0 3 321.299 2.258 20 5 DEBDHN CN(C)[C@H](CNc1cc(N)c([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC001337789211 1142801759 /nfs/dbraw/zinc/80/17/59/1142801759.db2.gz CGCQAEDOECMMAU-CYBMUJFWSA-N 0 3 319.340 2.426 20 5 DEBDHN CCOc1nccc(CN[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)n1 ZINC001254586256 1143268218 /nfs/dbraw/zinc/26/82/18/1143268218.db2.gz JFPIBPDFQBQQSY-AWEZNQCLSA-N 0 3 314.345 2.041 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CCN(C3CCC3)CC1)C2 ZINC001254601033 1143274439 /nfs/dbraw/zinc/27/44/39/1143274439.db2.gz XKODQHUGJTYXOM-KRWDZBQOSA-N 0 3 301.390 2.232 20 5 DEBDHN COc1cc(C(=O)N2[C@H](C)CN[C@H](C)[C@H]2C)cc([N+](=O)[O-])c1C ZINC001342551315 1143823845 /nfs/dbraw/zinc/82/38/45/1143823845.db2.gz BCUYEYZBJDOHBP-YUSALJHKSA-N 0 3 321.377 2.123 20 5 DEBDHN C[C@H](C(=O)N[C@@H]1CN(C)CC1(C)C)c1ccc([N+](=O)[O-])cc1F ZINC001303988584 1147341599 /nfs/dbraw/zinc/34/15/99/1147341599.db2.gz IUIVONNRIWJWLH-IINYFYTJSA-N 0 3 323.368 2.294 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCCC[C@H]1[C@H]1CCCO1 ZINC001308159020 1147449050 /nfs/dbraw/zinc/44/90/50/1147449050.db2.gz FZUUJDHTGXWJQR-UONOGXRCSA-N 0 3 308.382 2.133 20 5 DEBDHN Cc1[nH]ccc1C(=O)N(C)CCNCc1ccc([N+](=O)[O-])cc1 ZINC001317577318 1147727993 /nfs/dbraw/zinc/72/79/93/1147727993.db2.gz ZNIPRDHXVIKXID-UHFFFAOYSA-N 0 3 316.361 2.093 20 5 DEBDHN N[C@@H](C(=O)NCCc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC001326338714 1148081148 /nfs/dbraw/zinc/08/11/48/1148081148.db2.gz KZCFUSGORNEGFI-OAHLLOKOSA-N 0 3 305.378 2.161 20 5 DEBDHN CN(CCNc1ncc([N+](=O)[O-])cc1Br)C1CC1 ZINC000081941485 192344703 /nfs/dbraw/zinc/34/47/03/192344703.db2.gz JECYBGJXWQJLBL-UHFFFAOYSA-N 0 3 315.171 2.258 20 5 DEBDHN COc1ccc(OCCN2CCC[C@H]2C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000152952811 282158297 /nfs/dbraw/zinc/15/82/97/282158297.db2.gz CVTYBYXETKGCOZ-STQMWFEESA-N 0 3 324.377 2.218 20 5 DEBDHN O=[N+]([O-])c1ccc2oc(CN3CC[C@@H](N4CCCC4)C3)nc2c1 ZINC000083170412 185215921 /nfs/dbraw/zinc/21/59/21/185215921.db2.gz YQAPSFJGGSGCKH-CYBMUJFWSA-N 0 3 316.361 2.406 20 5 DEBDHN CC[C@@H](CO)N(C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000295693711 529503835 /nfs/dbraw/zinc/50/38/35/529503835.db2.gz LWYUQKVNMFRYRV-ZDUSSCGKSA-N 0 3 319.361 2.495 20 5 DEBDHN C[C@@H](c1ccccc1)N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090511743 185299735 /nfs/dbraw/zinc/29/97/35/185299735.db2.gz YRQBFEZPIHLABU-ZDUSSCGKSA-N 0 3 301.346 2.450 20 5 DEBDHN CN(C[C@@H]1CCCN1C)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000092627023 185330039 /nfs/dbraw/zinc/33/00/39/185330039.db2.gz MWDWYULXGMGYAP-NSHDSACASA-N 0 3 311.769 2.414 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCN(CCO)C(C)(C)C1 ZINC000614923867 362491804 /nfs/dbraw/zinc/49/18/04/362491804.db2.gz WOGUNYUGLWJZFP-CQSZACIVSA-N 0 3 321.421 2.353 20 5 DEBDHN C[C@H](NC(=O)NCc1ccccc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000272707684 210111148 /nfs/dbraw/zinc/11/11/48/210111148.db2.gz GWDGXCDEDDLXEC-LBPRGKRZSA-N 0 3 318.377 2.044 20 5 DEBDHN CC[C@@H](NCCN1CCOC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000247047896 282475409 /nfs/dbraw/zinc/47/54/09/282475409.db2.gz OPJJNHODCCFCHX-CZUORRHYSA-N 0 3 307.394 2.356 20 5 DEBDHN Cc1ccc(C(=O)N2CC[C@H](N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000171449386 186162058 /nfs/dbraw/zinc/16/20/58/186162058.db2.gz UMRCSRFWVBZIPE-AWEZNQCLSA-N 0 3 303.362 2.214 20 5 DEBDHN CCCN1CC[C@H](NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000595483603 358461244 /nfs/dbraw/zinc/46/12/44/358461244.db2.gz WXPVKRASUYNARF-JSGCOSHPSA-N 0 3 320.393 2.439 20 5 DEBDHN COC[C@@H]1CCCN(CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000173742327 198246625 /nfs/dbraw/zinc/24/66/25/198246625.db2.gz NTAOWXRRBKTGGR-CYBMUJFWSA-N 0 3 324.377 2.341 20 5 DEBDHN O=C1C[C@H]([C@@H]2CCCCN2Cc2ccc([N+](=O)[O-])cc2F)CN1 ZINC000331954680 234314808 /nfs/dbraw/zinc/31/48/08/234314808.db2.gz TWAYUQQAAOKZRD-WFASDCNBSA-N 0 3 321.352 2.225 20 5 DEBDHN CCCNC(=O)[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000050995328 354377903 /nfs/dbraw/zinc/37/79/03/354377903.db2.gz KLJASMVOXNLSLA-AWEZNQCLSA-N 0 3 305.378 2.333 20 5 DEBDHN O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@H](N2CCCC2)C1 ZINC000058918892 354602154 /nfs/dbraw/zinc/60/21/54/354602154.db2.gz IIALMYWPTRGTQW-HNNXBMFYSA-N 0 3 303.362 2.295 20 5 DEBDHN C[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)N1CCCCCC1 ZINC000074048497 355001828 /nfs/dbraw/zinc/00/18/28/355001828.db2.gz GCPBGGBVXBAXOI-ZDUSSCGKSA-N 0 3 305.378 2.476 20 5 DEBDHN CN1CC[C@@]2(CCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])C2)C1 ZINC000293915372 283105552 /nfs/dbraw/zinc/10/55/52/283105552.db2.gz OWJOQTOTCDOZFV-OAHLLOKOSA-N 0 3 323.780 2.416 20 5 DEBDHN C[C@H]1CCC[C@]1(O)CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590195288 357525694 /nfs/dbraw/zinc/52/56/94/357525694.db2.gz GTPJDBMXVZQFBW-ZBEGNZNMSA-N 0 3 322.361 2.007 20 5 DEBDHN CSc1ccc(C(=O)N2C[C@H](C)NC[C@@H]2C)cc1[N+](=O)[O-] ZINC000237308794 202225738 /nfs/dbraw/zinc/22/57/38/202225738.db2.gz NUDWVZOFWYLHCZ-UWVGGRQHSA-N 0 3 309.391 2.139 20 5 DEBDHN COC(=O)COc1ccc(CNC2(C)CC=CC2)cc1[N+](=O)[O-] ZINC000594513440 358286938 /nfs/dbraw/zinc/28/69/38/358286938.db2.gz YSVBZDWJJVITGC-UHFFFAOYSA-N 0 3 320.345 2.345 20 5 DEBDHN C[S@](=O)[C@@H]1CCC[C@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000594961102 358369532 /nfs/dbraw/zinc/36/95/32/358369532.db2.gz LFNXAPJHNZBGAG-QQKBFRNYSA-N 0 3 302.421 2.436 20 5 DEBDHN Cc1c(CNC(=O)C2(N)CC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000595253928 358407032 /nfs/dbraw/zinc/40/70/32/358407032.db2.gz LJJRFQRZEXJLLH-UHFFFAOYSA-N 0 3 303.362 2.181 20 5 DEBDHN C[NH+](C)[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])Cc1ccccc1 ZINC000596054550 358599586 /nfs/dbraw/zinc/59/95/86/358599586.db2.gz LUKRPVAQMPMCDL-ZDUSSCGKSA-N 0 3 316.361 2.280 20 5 DEBDHN COc1c(C(=O)N[C@H]2CCN(C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000597926041 359044661 /nfs/dbraw/zinc/04/46/61/359044661.db2.gz ZUKNJFKWYMRYPX-NSHDSACASA-N 0 3 321.377 2.206 20 5 DEBDHN CCCN1CC[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000598343468 359170463 /nfs/dbraw/zinc/17/04/63/359170463.db2.gz WBSXNLGTUXSLSO-CQSZACIVSA-N 0 3 319.405 2.473 20 5 DEBDHN CN(CCN(C)C1CC1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000186774698 200008490 /nfs/dbraw/zinc/00/84/90/200008490.db2.gz UDRBKVJOSLQVPJ-UHFFFAOYSA-N 0 3 305.378 2.080 20 5 DEBDHN CCC[C@H](CCO)NCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000601139880 359937573 /nfs/dbraw/zinc/93/75/73/359937573.db2.gz MYICUXQQZHXPIP-GFCCVEGCSA-N 0 3 312.366 2.253 20 5 DEBDHN CCC[C@@H](CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)OC ZINC000602474663 360393100 /nfs/dbraw/zinc/39/31/00/360393100.db2.gz RDFACJRSUICRQG-JSGCOSHPSA-N 0 3 308.382 2.291 20 5 DEBDHN O=[N+]([O-])c1ccc2oc(CN[C@@H]3CCN(C4CC4)C3)nc2c1 ZINC000602543390 360424953 /nfs/dbraw/zinc/42/49/53/360424953.db2.gz CNJSXHBQRNMIDI-SNVBAGLBSA-N 0 3 302.334 2.062 20 5 DEBDHN C[C@@H](CCO)NCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602556174 360431347 /nfs/dbraw/zinc/43/13/47/360431347.db2.gz IYSKJDLVYONJOV-LURJTMIESA-N 0 3 309.185 2.279 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)C[C@H](C)c1nccs1 ZINC000602805711 360564700 /nfs/dbraw/zinc/56/47/00/360564700.db2.gz OSFGWQQJXAYJKB-JTQLQIEISA-N 0 3 309.395 2.292 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCNC(C)(C)c1ccc(C)nc1 ZINC000602809301 360565859 /nfs/dbraw/zinc/56/58/59/360565859.db2.gz PNDRQJCAYLGSMR-UHFFFAOYSA-N 0 3 303.366 2.328 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCSC2(CCC2)CC1 ZINC000602841791 360584874 /nfs/dbraw/zinc/58/48/74/360584874.db2.gz UJQCTDYIRAVOPT-UHFFFAOYSA-N 0 3 310.423 2.461 20 5 DEBDHN CCc1ccc(C(=O)N[C@H]2CCN(CC3CC3)C2)cc1[N+](=O)[O-] ZINC000610437229 361400074 /nfs/dbraw/zinc/40/00/74/361400074.db2.gz XCHKUJLNCBXFMY-HNNXBMFYSA-N 0 3 317.389 2.371 20 5 DEBDHN COC[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1ccc(Cl)cc1 ZINC000193685220 201103475 /nfs/dbraw/zinc/10/34/75/201103475.db2.gz GERGBBHCUJISAP-CYBMUJFWSA-N 0 3 324.768 2.422 20 5 DEBDHN CN1CCN(CCNc2ccc([N+](=O)[O-])cc2F)CC1(C)C ZINC000281569012 216390805 /nfs/dbraw/zinc/39/08/05/216390805.db2.gz DUOKORAKJHQCHL-UHFFFAOYSA-N 0 3 310.373 2.172 20 5 DEBDHN CO[C@@H]1CCC[C@H]1N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000451632272 243237068 /nfs/dbraw/zinc/23/70/68/243237068.db2.gz NTEJHFCUPXNVQV-LERXQTSPSA-N 0 3 307.350 2.079 20 5 DEBDHN COCC[C@@H](CO)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000282250467 216857622 /nfs/dbraw/zinc/85/76/22/216857622.db2.gz OMYJOSQGWJQERQ-ZDUSSCGKSA-N 0 3 320.345 2.342 20 5 DEBDHN Cc1ccc(CN2CCN(C[C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000093817558 193311325 /nfs/dbraw/zinc/31/13/25/193311325.db2.gz MQSSTJFZRXGFRC-MRXNPFEDSA-N 0 3 319.405 2.057 20 5 DEBDHN CN(C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@@H]1CCCN(C)C1 ZINC000265960060 205000474 /nfs/dbraw/zinc/00/04/74/205000474.db2.gz GPPKYHRAFDENAY-GFCCVEGCSA-N 0 3 316.361 2.242 20 5 DEBDHN CCN1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000267600392 206167792 /nfs/dbraw/zinc/16/77/92/206167792.db2.gz LXJNZAKGLUTJQI-UHFFFAOYSA-N 0 3 304.350 2.264 20 5 DEBDHN CC(C)[C@@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CCN1C ZINC000493015635 249196064 /nfs/dbraw/zinc/19/60/64/249196064.db2.gz KLFNMPOSDCTXRA-FDMDGMSGSA-N 0 3 317.389 2.407 20 5 DEBDHN O=[N+]([O-])c1cnc(NCC2CCN(c3ccncc3)CC2)nc1 ZINC000273976898 211235124 /nfs/dbraw/zinc/23/51/24/211235124.db2.gz QAZMNEUBNGYTGY-UHFFFAOYSA-N 0 3 314.349 2.108 20 5 DEBDHN CCN1CCCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000105347765 194099382 /nfs/dbraw/zinc/09/93/82/194099382.db2.gz FEPPPMFGXAAVFT-UHFFFAOYSA-N 0 3 306.366 2.463 20 5 DEBDHN Cc1c(CN2CCC(C3OCCO3)CC2)cccc1[N+](=O)[O-] ZINC000110455328 194331757 /nfs/dbraw/zinc/33/17/57/194331757.db2.gz MIDYDOLXRQPVOR-UHFFFAOYSA-N 0 3 306.362 2.488 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H](O)C1CCOCC1 ZINC000540189055 285112215 /nfs/dbraw/zinc/11/22/15/285112215.db2.gz IZLVOAKILFOSCP-MLGOLLRUSA-N 0 3 308.378 2.341 20 5 DEBDHN C[C@H](CCN1CCOCC1)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000358148543 133124425 /nfs/dbraw/zinc/12/44/25/133124425.db2.gz GBRKQJLIWOKAGK-ZIAGYGMSSA-N 0 3 307.394 2.356 20 5 DEBDHN C[C@@H](NC[C@@H]1CN(C2CC2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000358183251 133126593 /nfs/dbraw/zinc/12/65/93/133126593.db2.gz UVZAJUFTCQGDOX-MLGOLLRUSA-N 0 3 305.378 2.109 20 5 DEBDHN O=[N+]([O-])c1cccc(OCCN2CCC(CCCO)CC2)c1 ZINC000360088795 133161400 /nfs/dbraw/zinc/16/14/00/133161400.db2.gz NOTIRJQRWJARPF-UHFFFAOYSA-N 0 3 308.378 2.458 20 5 DEBDHN COCCO[C@@H]1COCC[C@H]1N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000362698221 133245964 /nfs/dbraw/zinc/24/59/64/133245964.db2.gz HTIDAJCGILINGC-DAXOMENPSA-N 0 3 324.377 2.066 20 5 DEBDHN O=C1CC[C@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])C2(CCC2)N1 ZINC000563418400 292055755 /nfs/dbraw/zinc/05/57/55/292055755.db2.gz OYUVFMJOHRGXJJ-ZFWWWQNUSA-N 0 3 315.373 2.373 20 5 DEBDHN O=C1CC[C@@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])C2(CCC2)N1 ZINC000563418397 292055885 /nfs/dbraw/zinc/05/58/85/292055885.db2.gz OYUVFMJOHRGXJJ-DZGCQCFKSA-N 0 3 315.373 2.373 20 5 DEBDHN O=[N+]([O-])c1ccc(OCCN2CCS[C@H]3COCC[C@H]32)cc1 ZINC000246943668 145120228 /nfs/dbraw/zinc/12/02/28/145120228.db2.gz NQNMTQWGENPDJJ-CABCVRRESA-N 0 3 324.402 2.180 20 5 DEBDHN C[C@H](NC[C@H]1CN2CCC[C@@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000316751257 145363470 /nfs/dbraw/zinc/36/34/70/145363470.db2.gz HXECMHDWEZLRFA-MAZHCROVSA-N 0 3 305.378 2.109 20 5 DEBDHN COc1cc(CN[C@H]2CCC[C@@H]2CCO)c([N+](=O)[O-])cc1F ZINC000348149982 146224673 /nfs/dbraw/zinc/22/46/73/146224673.db2.gz KFWGKNLOEZGRJB-MFKMUULPSA-N 0 3 312.341 2.383 20 5 DEBDHN CCS[C@H]1CCC[C@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000348474063 146276241 /nfs/dbraw/zinc/27/62/41/146276241.db2.gz AHRAUFGQUKTAKM-OCCSQVGLSA-N 0 3 323.418 2.458 20 5 DEBDHN Cc1c(CNC(=O)NC[C@H](C)N(C)C2CC2)cccc1[N+](=O)[O-] ZINC000358376918 147122815 /nfs/dbraw/zinc/12/28/15/147122815.db2.gz BIEKKSLEOJLTKP-NSHDSACASA-N 0 3 320.393 2.185 20 5 DEBDHN Cc1c([C@@H](C)N[C@@H](C)CCS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000127287257 401727365 /nfs/dbraw/zinc/72/73/65/401727365.db2.gz MFZUYGHVXAKGKI-CMPLNLGQSA-N 0 3 314.407 2.377 20 5 DEBDHN COCCCCCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665347 401711633 /nfs/dbraw/zinc/71/16/33/401711633.db2.gz HCHQDGQPRGOTQK-ZDUSSCGKSA-N 0 3 308.382 2.293 20 5 DEBDHN NC(=O)[C@H]1CCCC[C@@H]1NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000130787626 401838530 /nfs/dbraw/zinc/83/85/30/401838530.db2.gz NXVSMHXVRSXHKP-RYUDHWBXSA-N 0 3 311.769 2.382 20 5 DEBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000119107173 401926429 /nfs/dbraw/zinc/92/64/29/401926429.db2.gz OAVHOHIDFASSCC-GHMZBOCLSA-N 0 3 309.391 2.213 20 5 DEBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCCCC1 ZINC000117333161 401875115 /nfs/dbraw/zinc/87/51/15/401875115.db2.gz MJOMAGGIGZEFMY-UHFFFAOYSA-N 0 3 305.334 2.379 20 5 DEBDHN C[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(-n2cnnn2)cc1 ZINC000089513242 401950625 /nfs/dbraw/zinc/95/06/25/401950625.db2.gz NVHASIQCUCDNHE-LBPRGKRZSA-N 0 3 324.344 2.421 20 5 DEBDHN O=C(NCC1CC1)[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000047978897 401991993 /nfs/dbraw/zinc/99/19/93/401991993.db2.gz ZMZLWBOPUJERPD-HNNXBMFYSA-N 0 3 317.389 2.333 20 5 DEBDHN Cc1c(C(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000120640684 401996527 /nfs/dbraw/zinc/99/65/27/401996527.db2.gz IEBFBVKYRNIUBC-SMDDNHRTSA-N 0 3 305.378 2.315 20 5 DEBDHN COC(=O)[C@@]1(C)CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000093813532 402021381 /nfs/dbraw/zinc/02/13/81/402021381.db2.gz NCBGOOJIPTTWLU-YERXGYGTSA-N 0 3 304.346 2.493 20 5 DEBDHN CC1CCN(CCNC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000054780267 402071902 /nfs/dbraw/zinc/07/19/02/402071902.db2.gz QCEURARTEZTOLB-UHFFFAOYSA-N 0 3 309.341 2.196 20 5 DEBDHN CCOc1ccc([C@H](C)NCCNC(=O)C2CC2)cc1[N+](=O)[O-] ZINC000152588140 402101717 /nfs/dbraw/zinc/10/17/17/402101717.db2.gz VYRDJLOXKIIQBT-NSHDSACASA-N 0 3 321.377 2.170 20 5 DEBDHN Cc1c([C@H](C)NC[C@@H](C)N2CCOCC2)cccc1[N+](=O)[O-] ZINC000123376496 402124591 /nfs/dbraw/zinc/12/45/91/402124591.db2.gz CPCRYMYXZDJIMA-OCCSQVGLSA-N 0 3 307.394 2.275 20 5 DEBDHN CCCN(CCN(C)C)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000104530105 402203273 /nfs/dbraw/zinc/20/32/73/402203273.db2.gz AQAXNJIZZGLNFY-JXMROGBWSA-N 0 3 305.378 2.408 20 5 DEBDHN C[C@@H](NCCNC(=O)c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000124836770 402199893 /nfs/dbraw/zinc/19/98/93/402199893.db2.gz AMQRFJWSXWIDEN-LLVKDONJSA-N 0 3 303.318 2.268 20 5 DEBDHN Cc1c(NC(=O)NC[C@H]2CCCN(C)C2)cccc1[N+](=O)[O-] ZINC000108496917 402254963 /nfs/dbraw/zinc/25/49/63/402254963.db2.gz NMOPAYIJOGZYSU-GFCCVEGCSA-N 0 3 306.366 2.367 20 5 DEBDHN CCO[C@@H]1C[C@](CO)(NCc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000186584746 402444649 /nfs/dbraw/zinc/44/46/49/402444649.db2.gz LJVSCPJTKVDKJX-GDBMZVCRSA-N 0 3 308.378 2.251 20 5 DEBDHN CCO[C@@H]1C[C@@](CO)(NCc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000186584713 402444670 /nfs/dbraw/zinc/44/46/70/402444670.db2.gz LJVSCPJTKVDKJX-ZBFHGGJFSA-N 0 3 308.378 2.251 20 5 DEBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000164543272 402464207 /nfs/dbraw/zinc/46/42/07/402464207.db2.gz BDLSFXGKBULMFL-CABCVRRESA-N 0 3 317.389 2.080 20 5 DEBDHN COc1cc(CN(C)CCN(C)C2CC2)c([N+](=O)[O-])cc1F ZINC000186791443 402465033 /nfs/dbraw/zinc/46/50/33/402465033.db2.gz LDROSCAGGSOSGW-UHFFFAOYSA-N 0 3 311.357 2.269 20 5 DEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCS[C@H]2CCCC[C@H]21 ZINC000245577883 402472388 /nfs/dbraw/zinc/47/23/88/402472388.db2.gz GZKAOEMVBIRWFP-KGLIPLIRSA-N 0 3 323.418 2.117 20 5 DEBDHN Cc1c(NC(=O)CCN2CCCO[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000170774657 402523197 /nfs/dbraw/zinc/52/31/97/402523197.db2.gz FXQCJIYCJKFGFP-GFCCVEGCSA-N 0 3 321.377 2.343 20 5 DEBDHN C[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000170774584 402523792 /nfs/dbraw/zinc/52/37/92/402523792.db2.gz TUBWOKWFPIDIQP-GFCCVEGCSA-N 0 3 307.350 2.034 20 5 DEBDHN Cc1ccc([C@H](C)NCCN2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000178767309 402537238 /nfs/dbraw/zinc/53/72/38/402537238.db2.gz FOBIUPFVKSAETL-KGLIPLIRSA-N 0 3 307.394 2.275 20 5 DEBDHN CC[C@H](N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000248639783 402600421 /nfs/dbraw/zinc/60/04/21/402600421.db2.gz ZACXCGFNOKGOQR-BYCMXARLSA-N 0 3 321.377 2.469 20 5 DEBDHN C[C@H](CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1)N(C)C1CC1 ZINC000254916125 402672447 /nfs/dbraw/zinc/67/24/47/402672447.db2.gz KDTBNCMTKMFZCI-OJIASSBASA-N 0 3 303.362 2.207 20 5 DEBDHN CN(CC1CCN(C)CC1)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000255095354 402678764 /nfs/dbraw/zinc/67/87/64/402678764.db2.gz HBYZXNSJUCOIDL-YVMONPNESA-N 0 3 317.389 2.408 20 5 DEBDHN Cc1ccc([C@H](C)NC(=O)NC[C@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000175998711 402846840 /nfs/dbraw/zinc/84/68/40/402846840.db2.gz WCEIUBJNLJDRFK-GXTWGEPZSA-N 0 3 320.393 2.358 20 5 DEBDHN CC[C@@H](NC[C@@H](O)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000271442536 402871294 /nfs/dbraw/zinc/87/12/94/402871294.db2.gz DOBKUCOAOWYOJO-HZPDHXFCSA-N 0 3 308.378 2.423 20 5 DEBDHN O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@H](N2CCCCC2)C1 ZINC000264550672 402888216 /nfs/dbraw/zinc/88/82/16/402888216.db2.gz OYXPNLKMWSCKIY-HNNXBMFYSA-N 0 3 303.362 2.295 20 5 DEBDHN CC(C)N(C)CC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272466279 402940728 /nfs/dbraw/zinc/94/07/28/402940728.db2.gz LLAYDBRGPFHTPB-UHFFFAOYSA-N 0 3 313.785 2.247 20 5 DEBDHN C[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)N(C)C1CC1 ZINC000265769516 402947968 /nfs/dbraw/zinc/94/79/68/402947968.db2.gz HZAPDOPECOINLF-GFCCVEGCSA-N 0 3 319.405 2.471 20 5 DEBDHN C[C@H](N[C@@H]1CCC[C@H]1CCO)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000279221093 402918201 /nfs/dbraw/zinc/91/82/01/402918201.db2.gz IBRNFNGNIRPJIA-RWMBFGLXSA-N 0 3 321.377 2.063 20 5 DEBDHN C[C@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000273277103 402989923 /nfs/dbraw/zinc/98/99/23/402989923.db2.gz HWWBPXYJPSZDLM-NSHDSACASA-N 0 3 317.349 2.008 20 5 DEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@@H]2CC=CCC2)cc1 ZINC000273538705 403013091 /nfs/dbraw/zinc/01/30/91/403013091.db2.gz WQHPYJCGEJLWKA-CYBMUJFWSA-N 0 3 324.402 2.314 20 5 DEBDHN CN(C)CCN(Cc1ccc(F)cc1)c1ncc([N+](=O)[O-])cn1 ZINC000273573315 403016827 /nfs/dbraw/zinc/01/68/27/403016827.db2.gz AOWLRGJGBDBNCK-UHFFFAOYSA-N 0 3 319.340 2.092 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1N1CCC(CN2CCOCC2)CC1 ZINC000267239773 403028307 /nfs/dbraw/zinc/02/83/07/403028307.db2.gz RNXUYEIVOKKGQJ-UHFFFAOYSA-N 0 3 319.405 2.452 20 5 DEBDHN C[C@H]1CN(C)CC[C@@H]1N(C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000267728909 403040464 /nfs/dbraw/zinc/04/04/64/403040464.db2.gz UJXQDTRGMCGSJH-JQWIXIFHSA-N 0 3 308.338 2.279 20 5 DEBDHN O=[N+]([O-])c1ccc(CNCCc2cn3c(n2)SCC3)cc1 ZINC000274277177 403041015 /nfs/dbraw/zinc/04/10/15/403041015.db2.gz TZZWTBJYPCTUJR-UHFFFAOYSA-N 0 3 304.375 2.229 20 5 DEBDHN CS[C@@H]1CN(c2ncc([N+](=O)[O-])s2)C[C@@H]1N1CCCC1 ZINC000281806957 403094083 /nfs/dbraw/zinc/09/40/83/403094083.db2.gz GOWRFDSRWMAVHF-VHSXEESVSA-N 0 3 314.436 2.067 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000275495003 403103462 /nfs/dbraw/zinc/10/34/62/403103462.db2.gz BWTJKPCUULOFFY-SWLSCSKDSA-N 0 3 318.377 2.461 20 5 DEBDHN CN(C)C1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000275782739 403123267 /nfs/dbraw/zinc/12/32/67/403123267.db2.gz MUWILPCJPVFYCW-UHFFFAOYSA-N 0 3 310.329 2.340 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)N(C)C2CC2)c1 ZINC000283846289 403227916 /nfs/dbraw/zinc/22/79/16/403227916.db2.gz GWKWCDJWNOEEMP-NSHDSACASA-N 0 3 321.377 2.206 20 5 DEBDHN CCCCOC[C@H](O)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000285383127 403284750 /nfs/dbraw/zinc/28/47/50/403284750.db2.gz RUWVEJMXWCIJHN-OAHLLOKOSA-N 0 3 310.394 2.247 20 5 DEBDHN C[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)N(C)C ZINC000298304217 403354055 /nfs/dbraw/zinc/35/40/55/403354055.db2.gz CYMGDADLEDAFIE-VIFPVBQESA-N 0 3 307.375 2.489 20 5 DEBDHN C[C@@H](O)[C@H]1C[C@H](C)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000331285262 403369522 /nfs/dbraw/zinc/36/95/22/403369522.db2.gz LKYLFDWISSQNJA-XJKCOSOUSA-N 0 3 308.378 2.455 20 5 DEBDHN C[C@H]1C[C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCN1C ZINC000342934999 403402808 /nfs/dbraw/zinc/40/28/08/403402808.db2.gz QFOZEVVXEFGRLF-QWRGUYRKSA-N 0 3 316.361 2.289 20 5 DEBDHN O=[N+]([O-])c1cccc(CN[C@@H](C2CC2)[C@]2(CO)CCCO2)c1 ZINC000339770663 403444254 /nfs/dbraw/zinc/44/42/54/403444254.db2.gz XJRLNMYUOLCNIS-JKSUJKDBSA-N 0 3 306.362 2.005 20 5 DEBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NCCN1CCC(C)CC1 ZINC000301107960 403589939 /nfs/dbraw/zinc/58/99/39/403589939.db2.gz MZPHDWNTGWNGHV-UHFFFAOYSA-N 0 3 320.393 2.098 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCCC1(O)CCOCC1)CCC2 ZINC000287318779 403573982 /nfs/dbraw/zinc/57/39/82/403573982.db2.gz FIJIGKQIIOPUFH-MRXNPFEDSA-N 0 3 320.389 2.493 20 5 DEBDHN C[C@@H](CNc1c([N+](=O)[O-])ncn1C)N(C)Cc1ccccc1 ZINC000347267803 403643298 /nfs/dbraw/zinc/64/32/98/403643298.db2.gz FCAJJSWWKCWVSK-LBPRGKRZSA-N 0 3 303.366 2.261 20 5 DEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)CCN1CCOCC1 ZINC000347332734 403668280 /nfs/dbraw/zinc/66/82/80/403668280.db2.gz HGRKLGRGQNAYCA-QINSGFPZSA-N 0 3 319.405 2.262 20 5 DEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(C(N)=O)CC1 ZINC000347373197 403684285 /nfs/dbraw/zinc/68/42/85/403684285.db2.gz WUTJEPBNLUUYTC-XFXZXTDPSA-N 0 3 303.362 2.195 20 5 DEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC2CCC1CC2 ZINC000368617556 403811917 /nfs/dbraw/zinc/81/19/17/403811917.db2.gz ZTGFHDCUGFSOCR-RUXDESIVSA-N 0 3 306.362 2.209 20 5 DEBDHN CCC[C@@]1(CO)CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000288912101 403791660 /nfs/dbraw/zinc/79/16/60/403791660.db2.gz UFOSPRLKUADWOF-JKSUJKDBSA-N 0 3 308.378 2.113 20 5 DEBDHN COc1c(C(=O)NCCN2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000354604473 403898392 /nfs/dbraw/zinc/89/83/92/403898392.db2.gz QRSRGTIYDZVKRP-UHFFFAOYSA-N 0 3 321.377 2.065 20 5 DEBDHN CO[C@H]1CCCC[C@@H]1NCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000361747719 403841280 /nfs/dbraw/zinc/84/12/80/403841280.db2.gz CYOZDEKGJCSORS-ZFWWWQNUSA-N 0 3 321.377 2.389 20 5 DEBDHN COC(=O)[C@]1(C)CN(CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000337418876 404010584 /nfs/dbraw/zinc/01/05/84/404010584.db2.gz AKCZDECAXGGYLA-BLLLJJGKSA-N 0 3 322.361 2.105 20 5 DEBDHN C[C@@H](CNc1cccc(C(N)=O)c1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000341523077 404015070 /nfs/dbraw/zinc/01/50/70/404015070.db2.gz HTRWIKLMGGLVHN-RYUDHWBXSA-N 0 3 320.393 2.226 20 5 DEBDHN CC1(C)[C@H](NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]2CCO[C@@H]21 ZINC000296120773 404102229 /nfs/dbraw/zinc/10/22/29/404102229.db2.gz IRAYIISXTWAWTI-BNOWGMLFSA-N 0 3 321.333 2.406 20 5 DEBDHN CC1(C)[C@H](NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]2CCO[C@@H]21 ZINC000296120788 404102352 /nfs/dbraw/zinc/10/23/52/404102352.db2.gz IRAYIISXTWAWTI-YUTCNCBUSA-N 0 3 321.333 2.406 20 5 DEBDHN COc1ccc(CN2CC[C@H](c3n[nH]c(C)n3)C2)cc1[N+](=O)[O-] ZINC000412025350 404062934 /nfs/dbraw/zinc/06/29/34/404062934.db2.gz HAYOGYRXSQKHGT-LBPRGKRZSA-N 0 3 317.349 2.019 20 5 DEBDHN COc1ccc(CN2CC[C@H](c3nc(C)n[nH]3)C2)cc1[N+](=O)[O-] ZINC000412025350 404062937 /nfs/dbraw/zinc/06/29/37/404062937.db2.gz HAYOGYRXSQKHGT-LBPRGKRZSA-N 0 3 317.349 2.019 20 5 DEBDHN COc1ccc(CN2CC[C@H](c3nnc(C)[nH]3)C2)cc1[N+](=O)[O-] ZINC000412025350 404062940 /nfs/dbraw/zinc/06/29/40/404062940.db2.gz HAYOGYRXSQKHGT-LBPRGKRZSA-N 0 3 317.349 2.019 20 5 DEBDHN C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000412126600 404147399 /nfs/dbraw/zinc/14/73/99/404147399.db2.gz FBSCNKLNJGTCSK-RUAUBTSSSA-N 0 3 317.389 2.297 20 5 DEBDHN CN(C[C@H](O)COc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000290508064 404199286 /nfs/dbraw/zinc/19/92/86/404199286.db2.gz BEPRCDQLLUMSTH-NSHDSACASA-N 0 3 300.742 2.082 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CCc2c[nH]nc2C1 ZINC000369834830 404244599 /nfs/dbraw/zinc/24/45/99/404244599.db2.gz LWRBNYRLCQPGFF-ZDUSSCGKSA-N 0 3 316.361 2.364 20 5 DEBDHN C[C@H](NC(=O)N1CCN(C)CC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000341912018 404250940 /nfs/dbraw/zinc/25/09/40/404250940.db2.gz AGSPSAIRHIZIBI-STQMWFEESA-N 0 3 320.393 2.391 20 5 DEBDHN CCNc1ccc(C(=O)NC2(CN(C)C)CCC2)cc1[N+](=O)[O-] ZINC000341940368 404269157 /nfs/dbraw/zinc/26/91/57/404269157.db2.gz DOWKNURKLXENRW-UHFFFAOYSA-N 0 3 320.393 2.241 20 5 DEBDHN C[C@H](N[C@H]1CCCN(CCCO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000297265852 404526982 /nfs/dbraw/zinc/52/69/82/404526982.db2.gz KJAFIXRYSOYBNZ-ZFWWWQNUSA-N 0 3 307.394 2.092 20 5 DEBDHN CCCN(C)CC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000352730314 404581224 /nfs/dbraw/zinc/58/12/24/404581224.db2.gz QZHSFKYHCSDVAY-UHFFFAOYSA-N 0 3 307.394 2.376 20 5 DEBDHN CC(C)(NCCCN1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000292069345 404654059 /nfs/dbraw/zinc/65/40/59/404654059.db2.gz DJYAKPFMKVXPAN-UHFFFAOYSA-N 0 3 307.394 2.142 20 5 DEBDHN CN1CCC(CC(=O)N2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000291962455 404601867 /nfs/dbraw/zinc/60/18/67/404601867.db2.gz PCPGMCILXGLBDQ-UHFFFAOYSA-N 0 3 303.362 2.216 20 5 DEBDHN C[C@H]1[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CCCN1C ZINC000351618476 404674162 /nfs/dbraw/zinc/67/41/62/404674162.db2.gz HKJPIXSGVAQVHM-JOYOIKCWSA-N 0 3 310.329 2.338 20 5 DEBDHN O=[N+]([O-])c1ccn(C2CCN(CCc3ccncc3)CC2)n1 ZINC000365834683 404728775 /nfs/dbraw/zinc/72/87/75/404728775.db2.gz CARHRTOQQHAIBQ-UHFFFAOYSA-N 0 3 301.350 2.066 20 5 DEBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CCN(C)C ZINC000360952275 404860356 /nfs/dbraw/zinc/86/03/56/404860356.db2.gz YOFDVWLUYZRWJB-CQSZACIVSA-N 0 3 307.394 2.184 20 5 DEBDHN CN1CC[C@H]2CCN(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000408277196 405159882 /nfs/dbraw/zinc/15/98/82/405159882.db2.gz NQFLMLNSDIZLLX-IINYFYTJSA-N 0 3 322.340 2.292 20 5 DEBDHN CC1(C)CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CCN1 ZINC000420264461 405303117 /nfs/dbraw/zinc/30/31/17/405303117.db2.gz AXZHMSAWDVBWBH-UHFFFAOYSA-N 0 3 301.293 2.384 20 5 DEBDHN O=[N+]([O-])c1cc(Cl)cc(Cl)c1NC[C@@H]1CNCCO1 ZINC000420270982 405304334 /nfs/dbraw/zinc/30/43/34/405304334.db2.gz BBQYXDRYOUMPPZ-QMMMGPOBSA-N 0 3 306.149 2.302 20 5 DEBDHN CCCN(CCN(C)C)C(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000426904602 405382731 /nfs/dbraw/zinc/38/27/31/405382731.db2.gz IIDZQEIKGMUDLZ-UHFFFAOYSA-N 0 3 309.366 2.017 20 5 DEBDHN CCC1(CNCc2cc(OC)c(OC)cc2[N+](=O)[O-])COC1 ZINC000449600574 405634202 /nfs/dbraw/zinc/63/42/02/405634202.db2.gz OLNPQGQJNJCCHG-UHFFFAOYSA-N 0 3 310.350 2.128 20 5 DEBDHN CN(C[C@H]1CCCN1C)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000421707501 405601707 /nfs/dbraw/zinc/60/17/07/405601707.db2.gz XRTAGJYVONLHTJ-CYBMUJFWSA-N 0 3 323.418 2.240 20 5 DEBDHN CC[C@H]1CN(CCN[C@H](C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000494457061 405702773 /nfs/dbraw/zinc/70/27/73/405702773.db2.gz QOWUWPUQWYMXQC-CJNGLKHVSA-N 0 3 307.394 2.356 20 5 DEBDHN CN(C)CC(C)(C)NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000457229876 405761024 /nfs/dbraw/zinc/76/10/24/405761024.db2.gz ZSPUZHWKLNSABH-UHFFFAOYSA-N 0 3 311.407 2.143 20 5 DEBDHN COCCN(C)CCNc1nccc2c1cccc2[N+](=O)[O-] ZINC000450302249 405824553 /nfs/dbraw/zinc/82/45/53/405824553.db2.gz HFSIECCXBRZODS-UHFFFAOYSA-N 0 3 304.350 2.133 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC1(CO)CCOCC1 ZINC000536832451 406278848 /nfs/dbraw/zinc/27/88/48/406278848.db2.gz LKKBGJDHEFOEBL-CYBMUJFWSA-N 0 3 308.378 2.343 20 5 DEBDHN Cc1nc2n(n1)C[C@H](N[C@@H]1CCc3c1cccc3[N+](=O)[O-])CC2 ZINC000569744953 406297786 /nfs/dbraw/zinc/29/77/86/406297786.db2.gz XEPYCJCNRNWOFV-BXUZGUMPSA-N 0 3 313.361 2.087 20 5 DEBDHN CCN(C[C@H]1CCCN1CC)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000547797852 406448037 /nfs/dbraw/zinc/44/80/37/406448037.db2.gz PHARGWNUXUTZPZ-MRXNPFEDSA-N 0 3 319.405 2.470 20 5 DEBDHN C[C@@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])N1CCCC1 ZINC000550737493 406606356 /nfs/dbraw/zinc/60/63/56/406606356.db2.gz MMVSMOKUPAPPJS-ZDUSSCGKSA-N 0 3 319.405 2.473 20 5 DEBDHN CCOc1cc(CN2C[C@@H]3CC[C@H](O)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000491611950 406631585 /nfs/dbraw/zinc/63/15/85/406631585.db2.gz FFZKXGBERQODEN-GUTXKFCHSA-N 0 3 306.362 2.196 20 5 DEBDHN CCCN(CCN(C)C)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000491922860 406779049 /nfs/dbraw/zinc/77/90/49/406779049.db2.gz AQAXNJIZZGLNFY-YFHOEESVSA-N 0 3 305.378 2.408 20 5 DEBDHN C[C@@H]1CCN(CCNC(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000491925866 406779515 /nfs/dbraw/zinc/77/95/15/406779515.db2.gz OZSMOORVSMIINK-KTRBRXNASA-N 0 3 303.362 2.066 20 5 DEBDHN C[C@@H]1C[C@@H](NC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CCN1C ZINC000491913867 406776366 /nfs/dbraw/zinc/77/63/66/406776366.db2.gz KJLIABQPOPFEDV-YBGXSUTOSA-N 0 3 321.352 2.346 20 5 DEBDHN O=C1CCCN1CCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000570851914 292511393 /nfs/dbraw/zinc/51/13/93/292511393.db2.gz PSEKCQRXYMCJDV-HNNXBMFYSA-N 0 3 303.362 2.184 20 5 DEBDHN CC(C)[C@@H]1C[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000571634102 292561904 /nfs/dbraw/zinc/56/19/04/292561904.db2.gz IHRZGHNNCPSYCZ-UONOGXRCSA-N 0 3 312.391 2.003 20 5 DEBDHN O=C1NCCCC[C@@H]1N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192650686 225138923 /nfs/dbraw/zinc/13/89/23/225138923.db2.gz WYXNXWUPPSPNTB-CABCVRRESA-N 0 3 303.362 2.231 20 5 DEBDHN Cc1ccc([C@H](C)NCCN2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000295934578 225393321 /nfs/dbraw/zinc/39/33/21/225393321.db2.gz LATVAMLJWDZIAZ-ZDUSSCGKSA-N 0 3 307.394 2.011 20 5 DEBDHN Cc1ccc([C@H](C)NC(=O)N2C[C@H](C)NC[C@H]2C)cc1[N+](=O)[O-] ZINC000417821149 229114445 /nfs/dbraw/zinc/11/44/45/229114445.db2.gz DLXZBYGTWKCKOP-XQQFMLRXSA-N 0 3 320.393 2.356 20 5 DEBDHN C[C@H](NC(=O)N1CCN[C@H](C)[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000418237198 229280590 /nfs/dbraw/zinc/28/05/90/229280590.db2.gz VUFBXGZUDXLSOC-WOPDTQHZSA-N 0 3 306.366 2.048 20 5 DEBDHN CCN1CCC[C@@H]1CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000514770955 269330824 /nfs/dbraw/zinc/33/08/24/269330824.db2.gz RCHSGAVFAFRDHM-IUODEOHRSA-N 0 3 305.378 2.299 20 5 DEBDHN CC(=O)N1C[C@@H]2CCC[C@H](NCc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000344131261 273491721 /nfs/dbraw/zinc/49/17/21/273491721.db2.gz VUSUIPPJRFQMFG-JYJNAYRXSA-N 0 3 317.389 2.331 20 5 DEBDHN Cc1cc(N[C@@H]2CCn3ccnc3C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000489922707 274674148 /nfs/dbraw/zinc/67/41/48/274674148.db2.gz HNVHTRBRNMNGEU-GFCCVEGCSA-N 0 3 323.356 2.497 20 5 DEBDHN O=[N+]([O-])c1ccc(N2CCN(CC[C@H]3CCCO3)CC2)cc1 ZINC000188604681 275036283 /nfs/dbraw/zinc/03/62/83/275036283.db2.gz GCIPAADNUYYXRG-MRXNPFEDSA-N 0 3 305.378 2.286 20 5 DEBDHN CN(C)C[C@@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000492978150 276799020 /nfs/dbraw/zinc/79/90/20/276799020.db2.gz WHPRUKLMJQZSNN-LLVKDONJSA-N 0 3 313.785 2.011 20 5 DEBDHN COC[C@@H](O)CCN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279113746 277571995 /nfs/dbraw/zinc/57/19/95/277571995.db2.gz PKJCLOUQNBTUFO-SWLSCSKDSA-N 0 3 308.378 2.304 20 5 DEBDHN CC(C)c1ccc(CN2CC[C@H](CC(N)=O)C2)cc1[N+](=O)[O-] ZINC000368136636 278036484 /nfs/dbraw/zinc/03/64/84/278036484.db2.gz VYJUZJBKSQWONT-CYBMUJFWSA-N 0 3 305.378 2.416 20 5 DEBDHN C[C@@H](CN1CCCCC1)NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000077509679 278253616 /nfs/dbraw/zinc/25/36/16/278253616.db2.gz WJPLHKNLMOOLSA-NSHDSACASA-N 0 3 309.341 2.338 20 5 DEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](C)C(=O)NC(C)(C)C ZINC000449099787 278298898 /nfs/dbraw/zinc/29/88/98/278298898.db2.gz UXWRBRYASVUDLS-RYUDHWBXSA-N 0 3 307.394 2.419 20 5 DEBDHN C[C@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)N(C)C1CC1 ZINC000342897127 279344683 /nfs/dbraw/zinc/34/46/83/279344683.db2.gz DNIDIALOBLWXBR-SNVBAGLBSA-N 0 3 316.361 2.289 20 5 DEBDHN COC[C@]1(C(=O)OC)CCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000451340056 293277953 /nfs/dbraw/zinc/27/79/53/293277953.db2.gz VZKHTSYDCRUUDM-LRDDRELGSA-N 0 3 322.361 2.167 20 5 DEBDHN C[C@H](C(=O)NCC1(N(C)C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000416307367 298149867 /nfs/dbraw/zinc/14/98/67/298149867.db2.gz KIYKIASMEFRPDB-JTQLQIEISA-N 0 3 309.341 2.048 20 5 DEBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000288475424 300497695 /nfs/dbraw/zinc/49/76/95/300497695.db2.gz QRMFDQWBEMWEBL-AAEUAGOBSA-N 0 3 321.352 2.433 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CCCCN1C ZINC001350084277 1151322750 /nfs/dbraw/zinc/32/27/50/1151322750.db2.gz PZFWWNZZUDMXEA-GFCCVEGCSA-N 0 3 322.365 2.209 20 5 DEBDHN Cc1cnccc1CNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000572835815 325986522 /nfs/dbraw/zinc/98/65/22/325986522.db2.gz XULAEKHZWKIXCF-UHFFFAOYSA-N 0 3 314.345 2.417 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCN1CCOC[C@@H]1C ZINC000576619725 326306800 /nfs/dbraw/zinc/30/68/00/326306800.db2.gz NSVNUCGTOLIOSQ-UONOGXRCSA-N 0 3 307.394 2.275 20 5 DEBDHN CSc1cccc(C(=O)NC[C@@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000188149215 333038092 /nfs/dbraw/zinc/03/80/92/333038092.db2.gz OJLKLKGTEMHTSZ-NSHDSACASA-N 0 3 323.418 2.388 20 5 DEBDHN COc1cc(C[NH2+]CCC2(OC)CCC2)c([N+](=O)[O-])cc1[O-] ZINC000293034840 533873475 /nfs/dbraw/zinc/87/34/75/533873475.db2.gz RTOKNHUGSYNITP-UHFFFAOYSA-N 0 3 310.350 2.358 20 5 DEBDHN CC(=O)NCCCN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543794 534386177 /nfs/dbraw/zinc/38/61/77/534386177.db2.gz CUCJWEXMUIYVFB-HNNXBMFYSA-N 0 3 305.378 2.300 20 5 DEBDHN CCOc1ccc(C(=O)NCCN(CC)C2CC2)cc1[N+](=O)[O-] ZINC000338437964 520909509 /nfs/dbraw/zinc/90/95/09/520909509.db2.gz UZQUGQFNXDMXSS-UHFFFAOYSA-N 0 3 321.377 2.208 20 5 DEBDHN Cc1ccc([C@H](C)NC[C@@H](C)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000127498364 525921533 /nfs/dbraw/zinc/92/15/33/525921533.db2.gz FSJWYXGRCPKNFP-CABCVRRESA-N 0 3 320.437 2.190 20 5 DEBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](CN2CCOCC2)C1 ZINC000246718008 526079000 /nfs/dbraw/zinc/07/90/00/526079000.db2.gz LMZPGYPSNWFNTB-GJZGRUSLSA-N 0 3 319.405 2.310 20 5 DEBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000249748927 527315354 /nfs/dbraw/zinc/31/53/54/527315354.db2.gz PDDUHQCFKXZUNE-VXGBXAGGSA-N 0 3 320.393 2.148 20 5 DEBDHN CC(C)[C@H]1CN(C)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000330985320 527851787 /nfs/dbraw/zinc/85/17/87/527851787.db2.gz LDMKSVVJIUEOPJ-MRXNPFEDSA-N 0 3 307.394 2.246 20 5 DEBDHN CCOc1ccc([C@@H](C)NC[C@]2(OC)CCOC2)cc1[N+](=O)[O-] ZINC000359414961 535413230 /nfs/dbraw/zinc/41/32/30/535413230.db2.gz IGMAQDXYVLHZLJ-MLGOLLRUSA-N 0 3 324.377 2.450 20 5 DEBDHN CCN1CCC(NC(=O)NCc2cccc([N+](=O)[O-])c2C)CC1 ZINC000358308602 535469815 /nfs/dbraw/zinc/46/98/15/535469815.db2.gz JWYBYYULGMQLAS-UHFFFAOYSA-N 0 3 320.393 2.187 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000247270486 536950896 /nfs/dbraw/zinc/95/08/96/536950896.db2.gz FMOLJEYMQQWVIX-BXUZGUMPSA-N 0 3 321.377 2.016 20 5 DEBDHN COc1c(O)ccc(CNCCc2nccs2)c1[N+](=O)[O-] ZINC000892761252 625555182 /nfs/dbraw/zinc/55/51/82/625555182.db2.gz RUFWAONXJFXCAP-UHFFFAOYSA-N 0 3 309.347 2.098 20 5 DEBDHN C[C@]1(NC(=O)CCc2cccc([N+](=O)[O-])c2)CN2CCC1CC2 ZINC000892776960 625584494 /nfs/dbraw/zinc/58/44/94/625584494.db2.gz GLSJCKSVEKGKKP-KRWDZBQOSA-N 0 3 317.389 2.128 20 5 DEBDHN CC(COC(=O)[C@H](C)Oc1ccc(F)cc1Cl)[N+](=O)[O-] ZINC000813115670 623418560 /nfs/dbraw/zinc/41/85/60/623418560.db2.gz XLBBIVKNCGUYAD-SFYZADRCSA-N 0 3 305.689 2.455 20 5 DEBDHN COc1c([O-])ccc(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000892145823 624795868 /nfs/dbraw/zinc/79/58/68/624795868.db2.gz SZDXZHZCEVZORA-AAEUAGOBSA-N 0 3 322.361 2.167 20 5 DEBDHN COc1c([O-])ccc(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000892145823 624795870 /nfs/dbraw/zinc/79/58/70/624795870.db2.gz SZDXZHZCEVZORA-AAEUAGOBSA-N 0 3 322.361 2.167 20 5 DEBDHN COc1c([O-])ccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)c1[N+](=O)[O-] ZINC000893036549 625069254 /nfs/dbraw/zinc/06/92/54/625069254.db2.gz IOJRSJYLMSMZCX-VCTAVGKDSA-N 0 3 322.361 2.212 20 5 DEBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1Nc1c([N+](=O)[O-])cnn1C ZINC000893194948 625219087 /nfs/dbraw/zinc/21/90/87/625219087.db2.gz OHXQNIZCQXZWBG-GXTWGEPZSA-N 0 3 315.377 2.261 20 5 DEBDHN O=C(NCC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC001001104518 635400475 /nfs/dbraw/zinc/40/04/75/635400475.db2.gz WVFHXRMDXYIEEN-UHFFFAOYSA-N 0 3 317.389 2.333 20 5 DEBDHN CC[C@H](CO)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000162127862 636559426 /nfs/dbraw/zinc/55/94/26/636559426.db2.gz HNTFSLUKXOBRSB-SNVBAGLBSA-N 0 3 303.156 2.218 20 5 DEBDHN CSc1ccc(C(=O)N[C@H]2CCN(C)[C@H]2C)cc1[N+](=O)[O-] ZINC000928454473 637291588 /nfs/dbraw/zinc/29/15/88/637291588.db2.gz NGRNGMFUOOLPIZ-ONGXEEELSA-N 0 3 309.391 2.139 20 5 DEBDHN COc1c([O-])ccc(C[NH2+]C[C@H]2CCOC2(C)C)c1[N+](=O)[O-] ZINC000895456571 638031811 /nfs/dbraw/zinc/03/18/11/638031811.db2.gz PICHXTRRRXRAAX-LLVKDONJSA-N 0 3 310.350 2.214 20 5 DEBDHN CN1C[C@H](CCNCc2ccc(Cl)cc2[N+](=O)[O-])CC1=O ZINC000896304507 638457651 /nfs/dbraw/zinc/45/76/51/638457651.db2.gz JFVVHJONOBBZKK-SNVBAGLBSA-N 0 3 311.769 2.206 20 5 DEBDHN C[C@@H]1CCN(CCNC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000750075392 638709213 /nfs/dbraw/zinc/70/92/13/638709213.db2.gz XZZHQZLFBJLNIU-SNVBAGLBSA-N 0 3 311.769 2.320 20 5 DEBDHN O=[N+]([O-])c1ccc(CN[C@H](CO)C[C@@H](O)c2ccccc2)cc1 ZINC000754079608 639381977 /nfs/dbraw/zinc/38/19/77/639381977.db2.gz JKXXYMNJQDLDIV-DOTOQJQBSA-N 0 3 316.357 2.169 20 5 DEBDHN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCCN(C)C1 ZINC000755255361 639534799 /nfs/dbraw/zinc/53/47/99/639534799.db2.gz BGSNNRFHDRFLQC-GAJOTYCWSA-N 0 3 303.362 2.209 20 5 DEBDHN O=[N+]([O-])c1ccc(Cl)cc1CN[C@H](CO)[C@H]1CCCOC1 ZINC000839650864 639779640 /nfs/dbraw/zinc/77/96/40/639779640.db2.gz NMYSDOMECLUWRQ-GXFFZTMASA-N 0 3 314.769 2.125 20 5 DEBDHN O=[N+]([O-])c1ccc([C@@H](O)CN(CCO)Cc2ccccc2)cc1 ZINC000776583093 642188662 /nfs/dbraw/zinc/18/86/62/642188662.db2.gz ZRVJXVGUZUFOOO-KRWDZBQOSA-N 0 3 316.357 2.123 20 5 DEBDHN CC(C)CO[C@@H]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776587114 642189534 /nfs/dbraw/zinc/18/95/34/642189534.db2.gz UIVPAGOHAJUPEC-HZPDHXFCSA-N 0 3 308.378 2.375 20 5 DEBDHN Cc1c(Cc2noc(C3(CN(C)C)CC3)n2)cccc1[N+](=O)[O-] ZINC000923949619 642434896 /nfs/dbraw/zinc/43/48/96/642434896.db2.gz DQPMBOCZTXMEHM-UHFFFAOYSA-N 0 3 316.361 2.470 20 5 DEBDHN Cc1ccc([C@@H](C)[NH2+]C2CCN(CC(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000902397824 643029079 /nfs/dbraw/zinc/02/90/79/643029079.db2.gz XPUKGTIZDRSXGX-GFCCVEGCSA-N 0 3 321.377 2.103 20 5 DEBDHN COc1cc([C@H](C)N[C@H](C)CN2CCCC2=O)cc([N+](=O)[O-])c1 ZINC000903075775 643240360 /nfs/dbraw/zinc/24/03/60/643240360.db2.gz DIGPRAYARDJQAE-NEPJUHHUSA-N 0 3 321.377 2.265 20 5 DEBDHN COc1cc([C@@H](C)NCCn2ccnc2C)cc([N+](=O)[O-])c1 ZINC000903086503 643244355 /nfs/dbraw/zinc/24/43/55/643244355.db2.gz OERCHZWZODWIOE-LLVKDONJSA-N 0 3 304.350 2.459 20 5 DEBDHN CCN(CC)C(=O)CNC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000786810428 643412689 /nfs/dbraw/zinc/41/26/89/643412689.db2.gz FZQLZSMMIATNJJ-UKTHLTGXSA-N 0 3 305.378 2.456 20 5 DEBDHN C/C(=C/C(=O)N1CCN2CCC1CC2)c1ccc([N+](=O)[O-])cc1 ZINC000787523007 643502962 /nfs/dbraw/zinc/50/29/62/643502962.db2.gz IFVFWWZGXXOUIH-SEYXRHQNSA-N 0 3 315.373 2.305 20 5 DEBDHN CCN1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2OC)[C@@H](C)C1 ZINC000910281396 645386622 /nfs/dbraw/zinc/38/66/22/645386622.db2.gz XTXICOADJNVXJG-LBPRGKRZSA-N 0 3 321.377 2.160 20 5 DEBDHN CCN1CCCN(C(=O)c2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000910295876 645408416 /nfs/dbraw/zinc/40/84/16/645408416.db2.gz PIUHFJFRNYNNQE-GFCCVEGCSA-N 0 3 305.378 2.460 20 5 DEBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000843823350 651036249 /nfs/dbraw/zinc/03/62/49/651036249.db2.gz WLCWXYMUIFHSNQ-RNCFNFMXSA-N 0 3 321.352 2.255 20 5 DEBDHN Cc1cnn([C@H]2CCN(C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000810121954 646326827 /nfs/dbraw/zinc/32/68/27/646326827.db2.gz UVDKVSYBHXSCTQ-JKSUJKDBSA-N 0 3 316.361 2.080 20 5 DEBDHN CC(COC(=O)c1ccn(-c2ccc(Cl)cc2)n1)[N+](=O)[O-] ZINC000813101614 646728376 /nfs/dbraw/zinc/72/83/76/646728376.db2.gz FJDURMJQOAYOAL-VIFPVBQESA-N 0 3 309.709 2.348 20 5 DEBDHN CC(COC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)[N+](=O)[O-] ZINC000813102082 646728403 /nfs/dbraw/zinc/72/84/03/646728403.db2.gz APMVYXZXKZPFNH-MRVPVSSYSA-N 0 3 314.269 2.220 20 5 DEBDHN CC(COC(=O)COc1ccc(Br)cc1)[N+](=O)[O-] ZINC000813103174 646728533 /nfs/dbraw/zinc/72/85/33/646728533.db2.gz YRRHUVATAVYCJR-QMMMGPOBSA-N 0 3 318.123 2.036 20 5 DEBDHN CC(COC(=O)c1cccc(Br)c1F)[N+](=O)[O-] ZINC000813101886 646729011 /nfs/dbraw/zinc/72/90/11/646729011.db2.gz KUAHICRIRMLDOQ-ZCFIWIBFSA-N 0 3 306.087 2.410 20 5 DEBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])nn1-c1ccc(F)cc1 ZINC000813104459 646729669 /nfs/dbraw/zinc/72/96/69/646729669.db2.gz MXTPQZJQXACHMV-JTQLQIEISA-N 0 3 307.281 2.142 20 5 DEBDHN CC(COC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1)[N+](=O)[O-] ZINC000813106615 646729775 /nfs/dbraw/zinc/72/97/75/646729775.db2.gz FHLRWANQMFTAKT-NSHDSACASA-N 0 3 322.361 2.285 20 5 DEBDHN CCn1cc(Br)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813110151 646730433 /nfs/dbraw/zinc/73/04/33/646730433.db2.gz ZYNDTUCKBXQECS-SSDOTTSWSA-N 0 3 305.128 2.093 20 5 DEBDHN COc1cccc(C(=O)OCC(C)[N+](=O)[O-])c1OC(F)F ZINC000813109456 646730458 /nfs/dbraw/zinc/73/04/58/646730458.db2.gz TTZRMJHNHRQQML-SSDOTTSWSA-N 0 3 305.233 2.119 20 5 DEBDHN CC(COC(=O)Cc1ccc(F)cc1Br)[N+](=O)[O-] ZINC000813108769 646730720 /nfs/dbraw/zinc/73/07/20/646730720.db2.gz LMKVHGBYCACOLF-ZETCQYMHSA-N 0 3 320.114 2.339 20 5 DEBDHN COc1ccc(-c2ocnc2C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813109479 646730830 /nfs/dbraw/zinc/73/08/30/646730830.db2.gz UGYXMCWAXPPKOR-VIFPVBQESA-N 0 3 306.274 2.172 20 5 DEBDHN C[C@H](NCc1ccc(C(N)=O)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815553848 647030625 /nfs/dbraw/zinc/03/06/25/647030625.db2.gz LNJOJLUUCXXOEB-JTQLQIEISA-N 0 3 314.345 2.127 20 5 DEBDHN CC(COC(=O)[C@@H](C)Cc1cnc2ccccc2n1)[N+](=O)[O-] ZINC000816091337 647089881 /nfs/dbraw/zinc/08/98/81/647089881.db2.gz SQBJTEMNZACAHZ-QWRGUYRKSA-N 0 3 303.318 2.017 20 5 DEBDHN CC(COC(=O)c1ccc(OCc2ccncc2)cc1)[N+](=O)[O-] ZINC000817739253 647352513 /nfs/dbraw/zinc/35/25/13/647352513.db2.gz JLKZBYRVCFQRFF-LBPRGKRZSA-N 0 3 316.313 2.483 20 5 DEBDHN Cn1ncc2c1CCC[C@@H]2NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818952408 647547600 /nfs/dbraw/zinc/54/76/00/647547600.db2.gz LCXHSIDPNOZJOK-HOCLYGCPSA-N 0 3 316.361 2.029 20 5 DEBDHN Cc1nc(C)c(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)s1 ZINC000819103260 647583387 /nfs/dbraw/zinc/58/33/87/647583387.db2.gz FXIACYGNUZUSHI-CYBMUJFWSA-N 0 3 307.375 2.491 20 5 DEBDHN C[C@@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)NCC[N+](=O)[O-] ZINC000929971717 647988080 /nfs/dbraw/zinc/98/80/80/647988080.db2.gz MAWXMYHFKUVTCR-DOMZBBRYSA-N 0 3 315.414 2.326 20 5 DEBDHN CC(COC(=O)CCc1cccc(OC(F)F)c1)[N+](=O)[O-] ZINC000821166619 648002778 /nfs/dbraw/zinc/00/27/78/648002778.db2.gz DWGMMNUXKAHUIK-VIFPVBQESA-N 0 3 303.261 2.429 20 5 DEBDHN CO[C@@H]1CC[C@H](N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000821343459 648038981 /nfs/dbraw/zinc/03/89/81/648038981.db2.gz XJKMFJZVZFCCDB-JKSUJKDBSA-N 0 3 305.378 2.284 20 5 DEBDHN CO[C@@H]1CC[C@@H](N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000821343458 648039204 /nfs/dbraw/zinc/03/92/04/648039204.db2.gz XJKMFJZVZFCCDB-HZPDHXFCSA-N 0 3 305.378 2.284 20 5 DEBDHN CC[C@H](NC(=O)N[C@@H]1CCN(C)[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000921334510 648291359 /nfs/dbraw/zinc/29/13/59/648291359.db2.gz NJEHGRSXTBQSQR-TUKIKUTGSA-N 0 3 320.393 2.438 20 5 DEBDHN CC(C)(CCC(=O)N1CCN(C2CCCCC2)CC1)[N+](=O)[O-] ZINC000827023348 648961540 /nfs/dbraw/zinc/96/15/40/648961540.db2.gz XZPULSYZMRMNGY-UHFFFAOYSA-N 0 3 311.426 2.299 20 5 DEBDHN CN(C)C1CN(c2cccc(Br)c2[N+](=O)[O-])C1 ZINC000856738392 651969580 /nfs/dbraw/zinc/96/95/80/651969580.db2.gz BITKOVCOBJUNQV-UHFFFAOYSA-N 0 3 300.156 2.108 20 5 DEBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000928441630 693779505 /nfs/dbraw/zinc/77/95/05/693779505.db2.gz SULFRRKYJLXTNY-JGGQBBKZSA-N 0 3 319.405 2.372 20 5 DEBDHN CC(=O)N1CCC(NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000037138370 683881980 /nfs/dbraw/zinc/88/19/80/683881980.db2.gz REVHYNGXIWVZCJ-UHFFFAOYSA-N 0 3 311.769 2.349 20 5 DEBDHN CCOC(=O)C1=CC[C@@H](NCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000862487228 686309510 /nfs/dbraw/zinc/30/95/10/686309510.db2.gz MJOQCTQNOVULGS-CYBMUJFWSA-N 0 3 320.345 2.345 20 5 DEBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCc3ccns3)C2)nc1 ZINC000929987791 694064760 /nfs/dbraw/zinc/06/47/60/694064760.db2.gz LXFMXVHUOXIOSV-LLVKDONJSA-N 0 3 319.390 2.175 20 5 DEBDHN CC(C)N1CC[C@H](N[C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1=O ZINC000866297926 687526306 /nfs/dbraw/zinc/52/63/06/687526306.db2.gz PGUIDSCYGWLEOE-RISCZKNCSA-N 0 3 323.368 2.264 20 5 DEBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@@H]1CCC2(COC2)O1 ZINC000930438419 694162246 /nfs/dbraw/zinc/16/22/46/694162246.db2.gz ADSGFFMBONJWLH-AWEZNQCLSA-N 0 3 306.362 2.017 20 5 DEBDHN COC[C@@H](CCN[C@H](C)c1c(F)cccc1[N+](=O)[O-])OC ZINC000872084795 688924263 /nfs/dbraw/zinc/92/42/63/688924263.db2.gz KUMJEIZDIZUHKG-GHMZBOCLSA-N 0 3 300.330 2.436 20 5 DEBDHN Cc1c(CNCC[S@](=O)CC(F)(F)F)cccc1[N+](=O)[O-] ZINC000873134919 689167256 /nfs/dbraw/zinc/16/72/56/689167256.db2.gz RCIJVVSKJBWYDR-NRFANRHFSA-N 0 3 324.324 2.304 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@H]2CCCN3C)c1 ZINC000874837419 689510822 /nfs/dbraw/zinc/51/08/22/689510822.db2.gz JHUOBZZJVGRDPK-HUUCEWRRSA-N 0 3 303.362 2.212 20 5 DEBDHN Cc1cc(C(=O)N2CC[C@H]3[C@@H]2CCCN3C)ccc1[N+](=O)[O-] ZINC000874849595 689518177 /nfs/dbraw/zinc/51/81/77/689518177.db2.gz KGNXVPYRBCBKOD-GJZGRUSLSA-N 0 3 303.362 2.212 20 5 DEBDHN Cc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCCN3C)cc1[N+](=O)[O-] ZINC000874849335 689518515 /nfs/dbraw/zinc/51/85/15/689518515.db2.gz JJRDAZGAIRJCRR-KBPBESRZSA-N 0 3 303.362 2.212 20 5 DEBDHN Cc1c(C(=O)N2CC[C@H]3[C@@H]2CCCN3C)cccc1[N+](=O)[O-] ZINC000874849607 689519255 /nfs/dbraw/zinc/51/92/55/689519255.db2.gz KKWQQPMEZUKING-GJZGRUSLSA-N 0 3 303.362 2.212 20 5 DEBDHN O=[N+]([O-])c1cnn(C2CC(NCc3cccc4c3OCO4)C2)c1 ZINC000876957949 689983001 /nfs/dbraw/zinc/98/30/01/689983001.db2.gz MTPLFXPJXJXPMR-UHFFFAOYSA-N 0 3 316.317 2.013 20 5 DEBDHN COc1ccc(F)c(CNC2CC(n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000877646349 690179013 /nfs/dbraw/zinc/17/90/13/690179013.db2.gz HIIUTJFGUBMGEO-UHFFFAOYSA-N 0 3 320.324 2.432 20 5 DEBDHN Cc1c(CN2CCC3(CCNC3=O)CC2)cccc1[N+](=O)[O-] ZINC000877781753 690225719 /nfs/dbraw/zinc/22/57/19/690225719.db2.gz DCJDDOGJBASKGJ-UHFFFAOYSA-N 0 3 303.362 2.005 20 5 DEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(CO)(CO)CC1 ZINC000877798547 690234505 /nfs/dbraw/zinc/23/45/05/690234505.db2.gz WVLBQDZYQBHRCN-ZROIWOOFSA-N 0 3 320.389 2.065 20 5 DEBDHN C[C@](CO)(NC[C@H](O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000879273728 690607939 /nfs/dbraw/zinc/60/79/39/690607939.db2.gz YDBDTBBZVFYRLM-DLBZAZTESA-N 0 3 316.357 2.126 20 5 DEBDHN COc1ccc(OCCN2C[C@H](OC)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000879320685 690618661 /nfs/dbraw/zinc/61/86/61/690618661.db2.gz KYCJNOHBTSQXHA-TZMCWYRMSA-N 0 3 324.377 2.482 20 5 DEBDHN Cc1c(CN2CCN(CCCCCO)CC2)cccc1[N+](=O)[O-] ZINC000931498399 694413295 /nfs/dbraw/zinc/41/32/95/694413295.db2.gz GJOICAZHEOWTHW-UHFFFAOYSA-N 0 3 321.421 2.183 20 5 DEBDHN CC(=O)c1c([N+](=O)[O-])cccc1N1CC[C@@]2(CCN(C)C2)C1 ZINC000882397002 691275604 /nfs/dbraw/zinc/27/56/04/691275604.db2.gz JLWCTRVDJBXQLO-MRXNPFEDSA-N 0 3 303.362 2.329 20 5 DEBDHN CON(C)CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000883172321 691447753 /nfs/dbraw/zinc/44/77/53/691447753.db2.gz DFEVATYDTMURQQ-UHFFFAOYSA-N 0 3 305.334 2.438 20 5 DEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@H]1CS(=O)(=O)C[C@H]1C ZINC000886293583 692046896 /nfs/dbraw/zinc/04/68/96/692046896.db2.gz DHIIXHCUBOFTCF-CWJQNXGWSA-N 0 3 324.402 2.021 20 5 DEBDHN CN1CC[C@@H]2CC[C@H](C1)N2c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000887268151 692318373 /nfs/dbraw/zinc/31/83/73/692318373.db2.gz DEQKHNXFOPRSDF-CMPLNLGQSA-N 0 3 306.322 2.176 20 5 DEBDHN C[C@@]1([C@@H]2CCCN(Cc3cccc([N+](=O)[O-])c3)C2)COC(=O)N1 ZINC000932025775 694531321 /nfs/dbraw/zinc/53/13/21/694531321.db2.gz HFQPKOKOZDNJTP-CJNGLKHVSA-N 0 3 319.361 2.305 20 5 DEBDHN CC(C)(C)OC[C@H]1CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000932167413 694565617 /nfs/dbraw/zinc/56/56/17/694565617.db2.gz SHPFWGIKMBSRKU-CQSZACIVSA-N 0 3 323.393 2.036 20 5 DEBDHN COc1c(O)ccc(CN[C@@H]2C[C@H](OC)C23CCC3)c1[N+](=O)[O-] ZINC000894858439 692989454 /nfs/dbraw/zinc/98/94/54/692989454.db2.gz GJCFJVCHHVEOQX-OLZOCXBDSA-N 0 3 322.361 2.356 20 5 DEBDHN COc1c([O-])ccc(C[NH2+][C@@H]2C[C@H](OC)C23CCC3)c1[N+](=O)[O-] ZINC000894858439 692989459 /nfs/dbraw/zinc/98/94/59/692989459.db2.gz GJCFJVCHHVEOQX-OLZOCXBDSA-N 0 3 322.361 2.356 20 5 DEBDHN CCON1CCC(NCc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000924953521 693205948 /nfs/dbraw/zinc/20/59/48/693205948.db2.gz CRZVLTGQFPLHPV-UHFFFAOYSA-N 0 3 309.366 2.109 20 5 DEBDHN O=[N+]([O-])c1cc(F)c(Cn2cc(CNCC3CC3)nn2)c(F)c1 ZINC001349750427 1151279293 /nfs/dbraw/zinc/27/92/93/1151279293.db2.gz JSZURQMVWHAQGF-UHFFFAOYSA-N 0 3 323.303 2.012 20 5 DEBDHN C[C@@H]1[C@H](C)NC[C@H](C)N1C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001354893014 1151952646 /nfs/dbraw/zinc/95/26/46/1151952646.db2.gz IRIFBKZWIXACDB-YYFFNPIBSA-N 0 3 317.389 2.296 20 5 DEBDHN C[C@@H]1CN(C)[C@@H](C)CN1c1ncnc2cccc([N+](=O)[O-])c21 ZINC001164631798 719250151 /nfs/dbraw/zinc/25/01/51/719250151.db2.gz GDYIVAJNLUKVLF-WDEREUQCSA-N 0 3 301.350 2.067 20 5 DEBDHN NCc1nn(-c2cccc3ncc([N+](=O)[O-])n32)c2ccccc12 ZINC001167699862 777892582 /nfs/dbraw/zinc/89/25/82/777892582.db2.gz DFEFQVPCBTXFEN-UHFFFAOYSA-N 0 3 308.301 2.040 20 5 DEBDHN CCc1[nH]ccc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001126613679 779868787 /nfs/dbraw/zinc/86/87/87/779868787.db2.gz HBZLELIQUUPYTQ-UHFFFAOYSA-N 0 3 316.361 2.005 20 5 DEBDHN O=C(NCCCNCc1csc([N+](=O)[O-])c1)C1(C2CC2)CC1 ZINC001160550649 790862745 /nfs/dbraw/zinc/86/27/45/790862745.db2.gz GVVSCRVESPWWIN-UHFFFAOYSA-N 0 3 323.418 2.442 20 5 DEBDHN COc1ccc2c(c1)c(CN)nn2[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169003075 784998742 /nfs/dbraw/zinc/99/87/42/784998742.db2.gz NARFASYHYZTHCQ-QWRGUYRKSA-N 0 3 304.350 2.122 20 5 DEBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCN(c3cccc(F)c3)CC2)C1 ZINC001169050025 785022048 /nfs/dbraw/zinc/02/20/48/785022048.db2.gz YBBNSRMPADSOLR-CZUORRHYSA-N 0 3 307.369 2.393 20 5 DEBDHN COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1-n1ccc([C@@H](C)N)n1 ZINC001169235879 785104809 /nfs/dbraw/zinc/10/48/09/785104809.db2.gz ZTCUGJOJAJJBHS-SSDOTTSWSA-N 0 3 324.724 2.240 20 5 DEBDHN C[C@@H](Nc1ccc(C(F)(F)F)c([N+](=O)[O-])c1)[C@@H]1CNCCO1 ZINC001170568069 787647015 /nfs/dbraw/zinc/64/70/15/787647015.db2.gz MVNBRQZKFJCYEU-PELKAZGASA-N 0 3 319.283 2.402 20 5 DEBDHN C[C@H](Nc1ccc(C(F)(F)F)c([N+](=O)[O-])c1)[C@@H]1CNCCO1 ZINC001170568074 787647101 /nfs/dbraw/zinc/64/71/01/787647101.db2.gz MVNBRQZKFJCYEU-UFBFGSQYSA-N 0 3 319.283 2.402 20 5 DEBDHN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC001137492158 788370741 /nfs/dbraw/zinc/37/07/41/788370741.db2.gz MBTAQMJSCBHPDT-QWRGUYRKSA-N 0 3 321.352 2.397 20 5 DEBDHN CCOC(=O)C1CN([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172916912 793531537 /nfs/dbraw/zinc/53/15/37/793531537.db2.gz UYMDZVFQXVJINR-HNNXBMFYSA-N 0 3 318.373 2.337 20 5 DEBDHN CC(=O)N[C@@H]1CCCN([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173225670 793643444 /nfs/dbraw/zinc/64/34/44/793643444.db2.gz FHOVOOFKUKFENB-IUODEOHRSA-N 0 3 305.378 2.126 20 5 DEBDHN COc1nc(-n2c3ccccc3nc2[C@H](C)N)ccc1[N+](=O)[O-] ZINC001155247906 797716325 /nfs/dbraw/zinc/71/63/25/797716325.db2.gz NNVNETXGMPKWNA-VIFPVBQESA-N 0 3 313.317 2.357 20 5 DEBDHN C[C@@H](C(=O)N[C@H]1CN(C)CC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC001156597292 798038837 /nfs/dbraw/zinc/03/88/37/798038837.db2.gz HDMYGFQZEVHWPM-RISCZKNCSA-N 0 3 305.378 2.155 20 5 DEBDHN NCc1nn(-c2ncnc3cccc([N+](=O)[O-])c32)c2ccccc12 ZINC001156865425 798098427 /nfs/dbraw/zinc/09/84/27/798098427.db2.gz ZZUFWCVSBFHMHA-UHFFFAOYSA-N 0 3 320.312 2.336 20 5 DEBDHN CC(C)N1CCN(c2cnc3ccc([N+](=O)[O-])cc3n2)C[C@@H]1C ZINC001158493733 798415667 /nfs/dbraw/zinc/41/56/67/798415667.db2.gz ISDTZFALXKXHOT-LBPRGKRZSA-N 0 3 315.377 2.457 20 5 DEBDHN Cc1cc(N[C@@H](C)[C@H]2CNCCO2)nc2ccc([N+](=O)[O-])cc12 ZINC001159494864 798571889 /nfs/dbraw/zinc/57/18/89/798571889.db2.gz APEWDDXEMOMTTO-XHDPSFHLSA-N 0 3 316.361 2.240 20 5 DEBDHN COC(=O)[C@@H](Nc1cc2c(cc1[N+](=O)[O-])CNC2)C(C)(C)C ZINC001163508939 799363474 /nfs/dbraw/zinc/36/34/74/799363474.db2.gz CMZPWGMDAICTGJ-CYBMUJFWSA-N 0 3 307.350 2.198 20 5 DEBDHN CN(C)C1(C)CN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)C1 ZINC001165117931 799654182 /nfs/dbraw/zinc/65/41/82/799654182.db2.gz KJXGTMLKFMVCQX-UHFFFAOYSA-N 0 3 320.727 2.328 20 5 DEBDHN Cc1cc(-n2ncc3c2CCNC3)nc2ccc([N+](=O)[O-])cc12 ZINC001165218579 799676735 /nfs/dbraw/zinc/67/67/35/799676735.db2.gz PATATGXHESQWBJ-UHFFFAOYSA-N 0 3 309.329 2.283 20 5 DEBDHN CN1CC[C@H](Oc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC001229145113 801231610 /nfs/dbraw/zinc/23/16/10/801231610.db2.gz JGOXEKIEKWHVEE-JTQLQIEISA-N 0 3 301.140 2.440 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)ncnc2O[C@@H]1CN2CCC1CC2 ZINC001229399309 801270494 /nfs/dbraw/zinc/27/04/94/801270494.db2.gz ISMUDONMUHGVQP-CQSZACIVSA-N 0 3 300.318 2.011 20 5 DEBDHN O=[N+]([O-])c1cccc2ncnc(O[C@H]3CN4CCC3CC4)c21 ZINC001231053345 801565080 /nfs/dbraw/zinc/56/50/80/801565080.db2.gz PHNOGCAPZKBELI-ZDUSSCGKSA-N 0 3 300.318 2.011 20 5 DEBDHN CN(CCCNC(=O)C(C)(F)F)Cc1cccc([N+](=O)[O-])c1 ZINC001231154268 801594286 /nfs/dbraw/zinc/59/42/86/801594286.db2.gz UWTVQFDHNYSGIM-UHFFFAOYSA-N 0 3 315.320 2.188 20 5 DEBDHN Cc1cc(O[C@H]2CC[C@@H]3NCCO[C@H]32)c(C)c(C)c1[N+](=O)[O-] ZINC001218151702 802147839 /nfs/dbraw/zinc/14/78/39/802147839.db2.gz HFGQCPZSYKKNSF-HEHGZKQESA-N 0 3 306.362 2.418 20 5 DEBDHN CCN1CCC[C@@H](Oc2ccc(CC[N+](=O)[O-])cc2OC)C1 ZINC001233986400 802258606 /nfs/dbraw/zinc/25/86/06/802258606.db2.gz KWAHEYPICPZGEW-CQSZACIVSA-N 0 3 308.378 2.378 20 5 DEBDHN CC[C@@H](NC(=O)N[C@@H]1CCN(C)[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC001224287238 802855023 /nfs/dbraw/zinc/85/50/23/802855023.db2.gz NJEHGRSXTBQSQR-NILFDRSVSA-N 0 3 320.393 2.438 20 5 DEBDHN Cc1[nH]cnc1C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC001344014706 1150792333 /nfs/dbraw/zinc/79/23/33/1150792333.db2.gz ZHRJDATWUKWJLN-RNCFNFMXSA-N 0 3 307.281 2.421 20 5 DEBDHN C[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001603874805 1070131810 /nfs/dbraw/zinc/13/18/10/1070131810.db2.gz PWPTWRLHXODCMA-MNOVXSKESA-N 0 3 316.365 2.395 20 5 DEBDHN C[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001603874805 1070131821 /nfs/dbraw/zinc/13/18/21/1070131821.db2.gz PWPTWRLHXODCMA-MNOVXSKESA-N 0 3 316.365 2.395 20 5 DEBDHN CC[C@@H]1CN[C@@H](CC)CN1C(=O)c1cc([N+](=O)[O-])ccc1OC ZINC001573719437 1069078959 /nfs/dbraw/zinc/07/89/59/1069078959.db2.gz OXZTVZGTEARLJZ-NWDGAFQWSA-N 0 3 321.377 2.206 20 5 DEBDHN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N[C@H]1CCN(C2CC2)C1 ZINC001543965884 1072513815 /nfs/dbraw/zinc/51/38/15/1072513815.db2.gz DLGAHTAHDZDLGG-NSHDSACASA-N 0 3 323.780 2.144 20 5 DEBDHN C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609167815 1077781366 /nfs/dbraw/zinc/78/13/66/1077781366.db2.gz BUEHQDLZOJRWOP-VHSXEESVSA-N 0 3 302.338 2.005 20 5 DEBDHN C[C@@H]1[C@@H](C)CC[N@H+]1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609167815 1077781370 /nfs/dbraw/zinc/78/13/70/1077781370.db2.gz BUEHQDLZOJRWOP-VHSXEESVSA-N 0 3 302.338 2.005 20 5 DEBDHN C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609167815 1077781374 /nfs/dbraw/zinc/78/13/74/1077781374.db2.gz BUEHQDLZOJRWOP-VHSXEESVSA-N 0 3 302.338 2.005 20 5 DEBDHN C[C@@H]1[C@@H](C)CC[N@H+]1Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609167815 1077781379 /nfs/dbraw/zinc/78/13/79/1077781379.db2.gz BUEHQDLZOJRWOP-VHSXEESVSA-N 0 3 302.338 2.005 20 5 DEBDHN CCC(C)(C)[N@H+](C)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609183000 1077788315 /nfs/dbraw/zinc/78/83/15/1077788315.db2.gz RCFDSLWGRNWYEG-UHFFFAOYSA-N 0 3 304.354 2.395 20 5 DEBDHN CCC(C)(C)[N@@H+](C)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609183000 1077788316 /nfs/dbraw/zinc/78/83/16/1077788316.db2.gz RCFDSLWGRNWYEG-UHFFFAOYSA-N 0 3 304.354 2.395 20 5 DEBDHN CCC(C)(C)[N@H+](C)Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609183000 1077788320 /nfs/dbraw/zinc/78/83/20/1077788320.db2.gz RCFDSLWGRNWYEG-UHFFFAOYSA-N 0 3 304.354 2.395 20 5 DEBDHN CCC(C)(C)[N@@H+](C)Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609183000 1077788325 /nfs/dbraw/zinc/78/83/25/1077788325.db2.gz RCFDSLWGRNWYEG-UHFFFAOYSA-N 0 3 304.354 2.395 20 5 DEBDHN O=[N+]([O-])c1c(N2CCN[C@@H](c3ccccc3)C2)nc2ccccn21 ZINC001651438108 1079811280 /nfs/dbraw/zinc/81/12/80/1079811280.db2.gz CFLXDRXENPLMET-CQSZACIVSA-N 0 3 323.356 2.393 20 5 DEBDHN O=[N+]([O-])c1ccccc1CNC[C@@H](O)COCc1ccccc1 ZINC000067803724 1079905600 /nfs/dbraw/zinc/90/56/00/1079905600.db2.gz RAQZWCYUEDFSPW-MRXNPFEDSA-N 0 3 316.357 2.262 20 5 DEBDHN COc1c(O)ccc(CNCC[C@@H](O)C2CCCC2)c1[N+](=O)[O-] ZINC001660534255 1080353149 /nfs/dbraw/zinc/35/31/49/1080353149.db2.gz OEKBAQNADCTUSD-CYBMUJFWSA-N 0 3 324.377 2.340 20 5 DEBDHN CCN(CC)CC(=O)NC/C=C\CNc1ccc([N+](=O)[O-])cc1 ZINC001107205185 1080677479 /nfs/dbraw/zinc/67/74/79/1080677479.db2.gz XGGRWVCFHMGRSZ-WAYWQWQTSA-N 0 3 320.393 2.021 20 5 DEBDHN N[C@H](Cc1nc(-c2ccccn2)no1)c1ccccc1[N+](=O)[O-] ZINC001249341837 1141877108 /nfs/dbraw/zinc/87/71/08/1141877108.db2.gz CMQXHCSMDHRQON-LLVKDONJSA-N 0 3 311.301 2.282 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](NCc1cn(CCF)cn1)C2 ZINC001254586951 1143268294 /nfs/dbraw/zinc/26/82/94/1143268294.db2.gz NLMPMQFSJSCIMK-CYBMUJFWSA-N 0 3 304.325 2.018 20 5 DEBDHN COC(=O)C[C@H]1CCCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254605526 1143278479 /nfs/dbraw/zinc/27/84/79/1143278479.db2.gz AZKUPUMZDMYOPJ-WBMJQRKESA-N 0 3 318.373 2.337 20 5 DEBDHN O=C(NC[C@H]1CNCCO1)c1cc2ccccc2c2cccnc12 ZINC000423997266 230583384 /nfs/dbraw/zinc/58/33/84/230583384.db2.gz YCFBJBAOCWBNQO-CQSZACIVSA-N 0 3 321.380 2.106 20 5 DEBDHN Cc1nc2n(n1)C[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])CC2 ZINC000266522598 282117529 /nfs/dbraw/zinc/11/75/29/282117529.db2.gz ZVADRBWBZFYRDZ-JQWIXIFHSA-N 0 3 301.350 2.160 20 5 DEBDHN C[C@H](NCC1(N2CCOCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000278498025 214192038 /nfs/dbraw/zinc/19/20/38/214192038.db2.gz QGAXWXUQNDHRCV-ZDUSSCGKSA-N 0 3 305.378 2.110 20 5 DEBDHN Cn1cc([C@@H](O)CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000278715068 214347728 /nfs/dbraw/zinc/34/77/28/214347728.db2.gz LYKGGWCVWYKZPE-HOTGVXAUSA-N 0 3 316.361 2.029 20 5 DEBDHN CN(C)CCN(Cc1ccco1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000088250623 185243457 /nfs/dbraw/zinc/24/34/57/185243457.db2.gz LIVMZUSIONYZCA-UHFFFAOYSA-N 0 3 317.345 2.392 20 5 DEBDHN Cc1cnc(NC(C)(C)CCN2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000613705409 362185300 /nfs/dbraw/zinc/18/53/00/362185300.db2.gz ZQVHDCSEXUUTDO-UHFFFAOYSA-N 0 3 321.425 2.126 20 5 DEBDHN CN1CCN(CCCNc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000299413737 529771709 /nfs/dbraw/zinc/77/17/09/529771709.db2.gz HZCXMEYTACSSOL-UHFFFAOYSA-N 0 3 312.801 2.298 20 5 DEBDHN CN(C[C@@H]1CCCN1C)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000421713596 529949524 /nfs/dbraw/zinc/94/95/24/529949524.db2.gz SYSKYQHPYJUCJS-ZDUSSCGKSA-N 0 3 319.405 2.425 20 5 DEBDHN O=[N+]([O-])c1cc2c(cc1CN[C@@H]1CCC[C@@H]1CCO)OCCO2 ZINC000614587623 362414499 /nfs/dbraw/zinc/41/44/99/362414499.db2.gz UNGCZTXXUJVEJD-DGCLKSJQSA-N 0 3 322.361 2.007 20 5 DEBDHN CS[C@H]1CN(c2cccnc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000614822123 362470143 /nfs/dbraw/zinc/47/01/43/362470143.db2.gz QOJSRAFSAJKERX-OLZOCXBDSA-N 0 3 308.407 2.006 20 5 DEBDHN C[C@H](C(=O)N[C@@H]1CCN(C)[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000330880105 232135377 /nfs/dbraw/zinc/13/53/77/232135377.db2.gz YVXOXZMCQROVKR-SDDRHHMPSA-N 0 3 323.368 2.436 20 5 DEBDHN C[C@@H]1C[C@@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])CCN1C ZINC000149461877 186050111 /nfs/dbraw/zinc/05/01/11/186050111.db2.gz RQRLFMAWYWNANW-ZJUUUORDSA-N 0 3 311.769 2.461 20 5 DEBDHN CCN1CCC(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000152692331 186098014 /nfs/dbraw/zinc/09/80/14/186098014.db2.gz OLTRJWJQMREFHY-UHFFFAOYSA-N 0 3 311.769 2.462 20 5 DEBDHN CC1(C)CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181876886 186214107 /nfs/dbraw/zinc/21/41/07/186214107.db2.gz IODJETVVZXPCOC-ZDUSSCGKSA-N 0 3 308.378 2.457 20 5 DEBDHN O=[N+]([O-])c1ccccc1CN1CCN(CC2CCOCC2)CC1 ZINC000172425506 198095431 /nfs/dbraw/zinc/09/54/31/198095431.db2.gz NXHPLBZDLQMXRE-UHFFFAOYSA-N 0 3 319.405 2.139 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)c1 ZINC000173212900 198196300 /nfs/dbraw/zinc/19/63/00/198196300.db2.gz HUCHPMHXAMPBDN-GXTWGEPZSA-N 0 3 305.378 2.315 20 5 DEBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)N(C)C ZINC000033093466 354156362 /nfs/dbraw/zinc/15/63/62/354156362.db2.gz DRYXYXCBNHOPOH-WDEREUQCSA-N 0 3 311.407 2.142 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCC[C@@H](C)C1 ZINC000046878850 354295938 /nfs/dbraw/zinc/29/59/38/354295938.db2.gz RNENYELZVDCCOZ-GFCCVEGCSA-N 0 3 321.377 2.065 20 5 DEBDHN O=[N+]([O-])c1cccc(CNC[C@H](O)COc2ccc(F)cc2)c1 ZINC000067252486 354754475 /nfs/dbraw/zinc/75/44/75/354754475.db2.gz KOJOJJKJZPCNPG-HNNXBMFYSA-N 0 3 320.320 2.263 20 5 DEBDHN CC(C)N1CCCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000068916433 354839084 /nfs/dbraw/zinc/83/90/84/354839084.db2.gz SOMAQCYVHKBLBD-UHFFFAOYSA-N 0 3 308.338 2.424 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCN2CCC[C@H]2C1 ZINC000332565067 235112749 /nfs/dbraw/zinc/11/27/49/235112749.db2.gz ASNACRAXIDFPLK-ZDUSSCGKSA-N 0 3 303.362 2.132 20 5 DEBDHN CC[C@@H](C)N(CC)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000595593109 358494759 /nfs/dbraw/zinc/49/47/59/358494759.db2.gz NSSXWMZDOORGJL-SNVBAGLBSA-N 0 3 323.349 2.382 20 5 DEBDHN Cc1ccc([C@H](C)NC[C@@H](O)C2CCOCC2)cc1[N+](=O)[O-] ZINC000090053906 355553859 /nfs/dbraw/zinc/55/38/59/355553859.db2.gz VNJFZVVTCDRWRB-BLLLJJGKSA-N 0 3 308.378 2.341 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCN(C)C1CC1 ZINC000094056088 355692313 /nfs/dbraw/zinc/69/23/13/355692313.db2.gz TYMPETHDVVJTNV-UHFFFAOYSA-N 0 3 305.378 2.344 20 5 DEBDHN COCCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000164961143 355975021 /nfs/dbraw/zinc/97/50/21/355975021.db2.gz ZGGNZLZNAAZVQH-UHFFFAOYSA-N 0 3 321.377 2.343 20 5 DEBDHN CC(C)S(=O)(=O)CCCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180422928 356050081 /nfs/dbraw/zinc/05/00/81/356050081.db2.gz XFZXJGPWVDCAFC-GFCCVEGCSA-N 0 3 314.407 2.459 20 5 DEBDHN Cn1cncc1CN[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000289848814 356377267 /nfs/dbraw/zinc/37/72/67/356377267.db2.gz QHFPOMGHGUOLSR-HNNXBMFYSA-N 0 3 300.362 2.439 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000618455984 363498227 /nfs/dbraw/zinc/49/82/27/363498227.db2.gz UMCMBPWWJPUVKJ-ZDUSSCGKSA-N 0 3 303.362 2.117 20 5 DEBDHN CCOCCNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236905789 202063666 /nfs/dbraw/zinc/06/36/66/202063666.db2.gz PEVYZYAQSVCYSR-UHFFFAOYSA-N 0 3 304.350 2.121 20 5 DEBDHN COc1cc(CNCC2(O)CCCCC2)c([N+](=O)[O-])cc1OC ZINC000237132940 202161635 /nfs/dbraw/zinc/16/16/35/202161635.db2.gz QGIRDKCIKSDTKV-UHFFFAOYSA-N 0 3 324.377 2.397 20 5 DEBDHN CCOc1cc(CN[C@H]2CCCC[C@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000276898998 213162952 /nfs/dbraw/zinc/16/29/52/213162952.db2.gz LKCKBJUMSROWEF-OLZOCXBDSA-N 0 3 321.377 2.127 20 5 DEBDHN O=[N+]([O-])c1cc2c(cc1CN[C@H]1CC[C@H](CO)CC1)OCCO2 ZINC000590646786 357572551 /nfs/dbraw/zinc/57/25/51/357572551.db2.gz NRDRKNQNBPPJKD-AULYBMBSSA-N 0 3 322.361 2.007 20 5 DEBDHN COC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000590657691 357573743 /nfs/dbraw/zinc/57/37/43/357573743.db2.gz MTMPUDZDWUDFDV-NEPJUHHUSA-N 0 3 308.334 2.035 20 5 DEBDHN CC(C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CCN1 ZINC000592248308 357857007 /nfs/dbraw/zinc/85/70/07/357857007.db2.gz YHIUSLAPEZVTLL-CYBMUJFWSA-N 0 3 311.769 2.318 20 5 DEBDHN CSc1ccc(C(=O)N2CCN[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000592246426 357857084 /nfs/dbraw/zinc/85/70/84/357857084.db2.gz NOJJOUSLESAYDF-GFCCVEGCSA-N 0 3 323.418 2.387 20 5 DEBDHN C[C@@H]1C[C@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CN1C1CC1 ZINC000593514744 358095032 /nfs/dbraw/zinc/09/50/32/358095032.db2.gz BVCFIMMXSNHZRN-MFKMUULPSA-N 0 3 321.352 2.018 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCC[C@]1(O)CCCOC1)CCC2 ZINC000593720945 358130431 /nfs/dbraw/zinc/13/04/31/358130431.db2.gz NHSWYEMNXKADBO-IAGOWNOFSA-N 0 3 320.389 2.493 20 5 DEBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594201714 358223017 /nfs/dbraw/zinc/22/30/17/358223017.db2.gz PXFBCANQVAQHBN-JKSUJKDBSA-N 0 3 317.389 2.270 20 5 DEBDHN NC(=O)c1ccc(N[C@@H]2CCCN3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000594602530 358302434 /nfs/dbraw/zinc/30/24/34/358302434.db2.gz QYMHCSAIULHSMX-TZMCWYRMSA-N 0 3 318.377 2.123 20 5 DEBDHN COC1CCN(CCN[C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000594496679 358283320 /nfs/dbraw/zinc/28/33/20/358283320.db2.gz REBAPWMQYSYJDR-INIZCTEOSA-N 0 3 319.405 2.283 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCn1ccnc1C ZINC000595014157 358378649 /nfs/dbraw/zinc/37/86/49/358378649.db2.gz LOGUZOOLRKWKQW-LLVKDONJSA-N 0 3 304.350 2.459 20 5 DEBDHN Cn1ncc(C2CC2)c1CNCCOc1ccc([N+](=O)[O-])cc1 ZINC000594927003 358360644 /nfs/dbraw/zinc/36/06/44/358360644.db2.gz STPYFZYFKLMWST-UHFFFAOYSA-N 0 3 316.361 2.374 20 5 DEBDHN CN(c1ccccc1)[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000595825274 358557009 /nfs/dbraw/zinc/55/70/09/358557009.db2.gz DTDVLZDFZKESSH-HNNXBMFYSA-N 0 3 315.377 2.002 20 5 DEBDHN COc1cccc(C2(NCCn3ccc([N+](=O)[O-])n3)CCC2)c1 ZINC000595855103 358565011 /nfs/dbraw/zinc/56/50/11/358565011.db2.gz AECJTVUQGDGMAR-UHFFFAOYSA-N 0 3 316.361 2.469 20 5 DEBDHN NC(=O)c1cc(N[C@@H]2CCCN3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000596298140 358663066 /nfs/dbraw/zinc/66/30/66/358663066.db2.gz URKRFZJUIGWXCX-UKRRQHHQSA-N 0 3 318.377 2.123 20 5 DEBDHN CC[C@H]1CN(C)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000597605488 358961494 /nfs/dbraw/zinc/96/14/94/358961494.db2.gz PJOKEPHKVMHKKW-LBPRGKRZSA-N 0 3 321.377 2.160 20 5 DEBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601576303 360076943 /nfs/dbraw/zinc/07/69/43/360076943.db2.gz VEGHIRPZGCQEJB-VXGBXAGGSA-N 0 3 321.352 2.433 20 5 DEBDHN CC(C)(C)N1CC[C@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601666725 360106243 /nfs/dbraw/zinc/10/62/43/360106243.db2.gz QKWQMUQGIQKQID-JTQLQIEISA-N 0 3 309.341 2.337 20 5 DEBDHN CSCCCN(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000281208655 216152961 /nfs/dbraw/zinc/15/29/61/216152961.db2.gz AXSVCAUZJAJFTB-GFCCVEGCSA-N 0 3 314.407 2.019 20 5 DEBDHN CO[C@@H](CNCc1cccc([N+](=O)[O-])c1C)C1CCOCC1 ZINC000602633945 360469189 /nfs/dbraw/zinc/46/91/89/360469189.db2.gz MVGSAFLMSDBMJK-INIZCTEOSA-N 0 3 308.378 2.434 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@]2(CCSC2)C1 ZINC000602838008 360582035 /nfs/dbraw/zinc/58/20/35/360582035.db2.gz RHGNJGWWCFWGAA-AWEZNQCLSA-N 0 3 310.423 2.319 20 5 DEBDHN O=[N+]([O-])c1ccccc1CN1CCCN(C[C@H]2CCCO2)CC1 ZINC000603848323 360865226 /nfs/dbraw/zinc/86/52/26/360865226.db2.gz LLQSTZQEKGHALB-MRXNPFEDSA-N 0 3 319.405 2.282 20 5 DEBDHN CC[C@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CCCO1 ZINC000281411354 216281583 /nfs/dbraw/zinc/28/15/83/216281583.db2.gz ODRLBTBWAPGYQB-ZDUSSCGKSA-N 0 3 321.377 2.424 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000609383670 361308597 /nfs/dbraw/zinc/30/85/97/361308597.db2.gz ZVSGGUINBDXEMQ-CYBMUJFWSA-N 0 3 303.362 2.117 20 5 DEBDHN COC[C@H](NCCn1ccc([N+](=O)[O-])n1)c1ccc(Cl)cc1 ZINC000193685204 201102510 /nfs/dbraw/zinc/10/25/10/201102510.db2.gz GERGBBHCUJISAP-ZDUSSCGKSA-N 0 3 324.768 2.422 20 5 DEBDHN CO[C@H]1C[C@@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1(C)C ZINC000610652072 361437020 /nfs/dbraw/zinc/43/70/20/361437020.db2.gz WYGCZMKBRWLKGB-CABCVRRESA-N 0 3 322.361 2.269 20 5 DEBDHN Cn1ccc(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1=O ZINC000610864877 361481339 /nfs/dbraw/zinc/48/13/39/361481339.db2.gz WQJAMDGBTRIGNL-UHFFFAOYSA-N 0 3 313.357 2.458 20 5 DEBDHN COCC1(N(C)CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000611178463 361541965 /nfs/dbraw/zinc/54/19/65/361541965.db2.gz BPYWNVOXVZXSRS-UHFFFAOYSA-N 0 3 310.350 2.093 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@@H](O)COCC1CC1)CCC2 ZINC000447535092 239000247 /nfs/dbraw/zinc/00/02/47/239000247.db2.gz CPQPQOUDZSBILN-WBVHZDCISA-N 0 3 320.389 2.349 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H](O)CN2CCC(C)CC2)n1 ZINC000611616311 361645323 /nfs/dbraw/zinc/64/53/23/361645323.db2.gz GVOKAIUMDVMTBY-CQSZACIVSA-N 0 3 322.409 2.111 20 5 DEBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCC[C@H]2CCO)c([N+](=O)[O-])c1 ZINC000194763853 201284540 /nfs/dbraw/zinc/28/45/40/201284540.db2.gz ZGIDCYLTBVDRNB-GWCFXTLKSA-N 0 3 309.322 2.144 20 5 DEBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCC[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000194763830 201284585 /nfs/dbraw/zinc/28/45/85/201284585.db2.gz ZGIDCYLTBVDRNB-MFKMUULPSA-N 0 3 309.322 2.144 20 5 DEBDHN C[C@H]1CN(C2CC2)C[C@H]1Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611707524 361663258 /nfs/dbraw/zinc/66/32/58/361663258.db2.gz IUKZFMCPJKXPPV-ZUZCIYMTSA-N 0 3 313.361 2.433 20 5 DEBDHN O=[N+]([O-])c1cc2c(cc1CNCCCOC(F)F)OCCO2 ZINC000619747958 363870399 /nfs/dbraw/zinc/87/03/99/363870399.db2.gz ROGFINHCOXOSAQ-UHFFFAOYSA-N 0 3 318.276 2.085 20 5 DEBDHN CO[C@@H]1CCCC[C@H]1N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000275298133 212256662 /nfs/dbraw/zinc/25/66/62/212256662.db2.gz ZECQDOOQHGRBPR-UXIGCNINSA-N 0 3 321.377 2.469 20 5 DEBDHN CCC[C@@](C)(N)C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000262711649 203389101 /nfs/dbraw/zinc/38/91/01/203389101.db2.gz QTHMWQSEKRUWPF-OAHLLOKOSA-N 0 3 317.349 2.441 20 5 DEBDHN O=[N+]([O-])c1ccccc1OCCN1CCN(C2CCC2)CC1 ZINC000264995172 204332169 /nfs/dbraw/zinc/33/21/69/204332169.db2.gz NWJGPQDVSCJCAT-UHFFFAOYSA-N 0 3 305.378 2.144 20 5 DEBDHN CC(C)(CNCc1ccc([N+](=O)[O-])cc1Cl)OCCO ZINC000288559247 220236718 /nfs/dbraw/zinc/23/67/18/220236718.db2.gz YLPNORQLQCVNSO-UHFFFAOYSA-N 0 3 302.758 2.125 20 5 DEBDHN COc1ccc(OCCN(C)CCOCC2CC2)c([N+](=O)[O-])c1 ZINC000268008597 206394116 /nfs/dbraw/zinc/39/41/16/206394116.db2.gz FWTPLJVYESEJIE-UHFFFAOYSA-N 0 3 324.377 2.341 20 5 DEBDHN CN(C)[C@@H]1CCCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000491575698 248942932 /nfs/dbraw/zinc/94/29/32/248942932.db2.gz JWKUXEGHOIDDMM-YYRKOSNBSA-N 0 3 303.362 2.161 20 5 DEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@H](c2ccccc2)C1 ZINC000159782525 197364547 /nfs/dbraw/zinc/36/45/47/197364547.db2.gz PXYJWALJKYXXBQ-OAHLLOKOSA-N 0 3 313.357 2.246 20 5 DEBDHN C[C@@H](CN(C)Cc1ccccc1)Nc1ncc([N+](=O)[O-])cn1 ZINC000274050471 211308639 /nfs/dbraw/zinc/30/86/39/211308639.db2.gz YUCDNEQNUNBMHU-LBPRGKRZSA-N 0 3 301.350 2.317 20 5 DEBDHN COc1cc(C(=O)N2CCCC[C@@H]2CN(C)C)ccc1[N+](=O)[O-] ZINC000104413594 194006465 /nfs/dbraw/zinc/00/64/65/194006465.db2.gz PJNAVRCKOLCDCX-CYBMUJFWSA-N 0 3 321.377 2.160 20 5 DEBDHN CC1=CC[C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000285222524 218339327 /nfs/dbraw/zinc/33/93/27/218339327.db2.gz OWYMSKAWEQAFFQ-CYBMUJFWSA-N 0 3 324.402 2.457 20 5 DEBDHN CCN1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000110996121 194378212 /nfs/dbraw/zinc/37/82/12/194378212.db2.gz SEXKULRSDVLEII-ZDUSSCGKSA-N 0 3 321.377 2.208 20 5 DEBDHN CCN1CCCC[C@H]1CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000110996760 194378539 /nfs/dbraw/zinc/37/85/39/194378539.db2.gz QEKAWKQXCYRSSX-LBPRGKRZSA-N 0 3 309.341 2.338 20 5 DEBDHN Cc1ccc([C@@H](C)NC[C@H](O)c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000268926067 207091109 /nfs/dbraw/zinc/09/11/09/207091109.db2.gz WFXLKSOGRMGUCU-ABAIWWIYSA-N 0 3 304.350 2.021 20 5 DEBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC[C@H]1CNCCO1 ZINC000157396320 197184852 /nfs/dbraw/zinc/18/48/52/197184852.db2.gz AYANTFWONSLVTH-SECBINFHSA-N 0 3 305.256 2.014 20 5 DEBDHN C[C@@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)N1CCCC1 ZINC000541774731 285185086 /nfs/dbraw/zinc/18/50/86/285185086.db2.gz LPQYAXBKYOQIAQ-RYUDHWBXSA-N 0 3 323.368 2.438 20 5 DEBDHN CC(C)(CO)[C@H](NCCn1ccc([N+](=O)[O-])n1)c1cccs1 ZINC000289638179 221121903 /nfs/dbraw/zinc/12/19/03/221121903.db2.gz FKQFTVKXRDHAMW-CYBMUJFWSA-N 0 3 324.406 2.202 20 5 DEBDHN C[C@H](CO[C@@H]1CCOC1)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294946574 224330296 /nfs/dbraw/zinc/33/02/96/224330296.db2.gz YFMZFKYZKDPRGI-NTZNESFSSA-N 0 3 309.366 2.022 20 5 DEBDHN Cc1cnn([C@H]2CCN(CCOc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000290047448 221399694 /nfs/dbraw/zinc/39/96/94/221399694.db2.gz WVBUYRZRLXAVCE-HNNXBMFYSA-N 0 3 316.361 2.426 20 5 DEBDHN COC(=O)C1CCN(CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000298667782 533293795 /nfs/dbraw/zinc/29/37/95/533293795.db2.gz LLFHMZCHDAPAMX-UHFFFAOYSA-N 0 3 321.377 2.282 20 5 DEBDHN C[C@@H](C(=O)N[C@@H]1CCN(C2CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000331371080 533298684 /nfs/dbraw/zinc/29/86/84/533298684.db2.gz DOJYQRTUZFHRFS-GHMZBOCLSA-N 0 3 321.352 2.190 20 5 DEBDHN CCn1cc(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000353961343 133013544 /nfs/dbraw/zinc/01/35/44/133013544.db2.gz VUQGKNOGKRAKBF-UONOGXRCSA-N 0 3 318.381 2.281 20 5 DEBDHN COc1c(C(=O)NC[C@H](CC(C)C)N(C)C)cccc1[N+](=O)[O-] ZINC000355982576 133058909 /nfs/dbraw/zinc/05/89/09/133058909.db2.gz IHFCBBDXBBUDIW-LBPRGKRZSA-N 0 3 323.393 2.310 20 5 DEBDHN C[C@@H](NC[C@H]1CN(C2CC2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000358183253 133126541 /nfs/dbraw/zinc/12/65/41/133126541.db2.gz UVZAJUFTCQGDOX-WBMJQRKESA-N 0 3 305.378 2.109 20 5 DEBDHN Cc1cccnc1CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373216714 133382966 /nfs/dbraw/zinc/38/29/66/133382966.db2.gz BIXVSOSKCQHIBL-UHFFFAOYSA-N 0 3 301.350 2.332 20 5 DEBDHN CCOc1cc(N[C@H](CO)CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000346100624 146015915 /nfs/dbraw/zinc/01/59/15/146015915.db2.gz JVQZYXKCJOXWNA-AWEZNQCLSA-N 0 3 323.393 2.252 20 5 DEBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CCOC3CCC3)C2)nc1 ZINC000346993245 146175973 /nfs/dbraw/zinc/17/59/73/146175973.db2.gz ISDOZYWBCLXIML-LBPRGKRZSA-N 0 3 306.366 2.045 20 5 DEBDHN C[C@@H](C(=O)NCCN(C)C1CC1)c1ccc([N+](=O)[O-])cc1F ZINC000348011024 146211353 /nfs/dbraw/zinc/21/13/53/146211353.db2.gz KNVSPHDEKJQETL-SNVBAGLBSA-N 0 3 309.341 2.048 20 5 DEBDHN Cc1ccc(NC[C@H](O)CN2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000301568062 292161523 /nfs/dbraw/zinc/16/15/23/292161523.db2.gz XAXHPLSKTNCNRA-AWEZNQCLSA-N 0 3 307.394 2.408 20 5 DEBDHN Cc1c(CNC(=O)N[C@H]2CCCN(C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000359284197 147298780 /nfs/dbraw/zinc/29/87/80/147298780.db2.gz LFTQDRHBUJJKJP-JSGCOSHPSA-N 0 3 320.393 2.185 20 5 DEBDHN C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1cnccc1N ZINC000565474663 292164182 /nfs/dbraw/zinc/16/41/82/292164182.db2.gz INMCYUQLIBDRJS-NSHDSACASA-N 0 3 302.334 2.132 20 5 DEBDHN CC1(CCNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000566123567 292208075 /nfs/dbraw/zinc/20/80/75/292208075.db2.gz CATRICHOELRGRH-UHFFFAOYSA-N 0 3 312.391 2.148 20 5 DEBDHN CCN1CCCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000110587493 401691509 /nfs/dbraw/zinc/69/15/09/401691509.db2.gz FUDKBMLNZOUTPN-UHFFFAOYSA-N 0 3 318.377 2.012 20 5 DEBDHN Cc1ccc([C@H](C)NC[C@H](O)COCC2CC2)cc1[N+](=O)[O-] ZINC000129885147 401810459 /nfs/dbraw/zinc/81/04/59/401810459.db2.gz FMXJYNFRNRQCAU-WFASDCNBSA-N 0 3 308.378 2.341 20 5 DEBDHN CO[C@H]1CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000076348050 401792492 /nfs/dbraw/zinc/79/24/92/401792492.db2.gz XJRLRVVDLLDGOH-AWEZNQCLSA-N 0 3 321.377 2.343 20 5 DEBDHN CN(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])o1)Cc1ccccc1 ZINC000046708028 401971805 /nfs/dbraw/zinc/97/18/05/401971805.db2.gz UAUKHYWEEGKUMA-ZDUSSCGKSA-N 0 3 317.345 2.091 20 5 DEBDHN CCN1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000122925035 402101693 /nfs/dbraw/zinc/10/16/93/402101693.db2.gz LGJQPPSQEOGNQO-UHFFFAOYSA-N 0 3 322.365 2.163 20 5 DEBDHN Cc1ccc([C@H](C)NC[C@H](C)N2CCOCC2)cc1[N+](=O)[O-] ZINC000123346733 402123230 /nfs/dbraw/zinc/12/32/30/402123230.db2.gz KMTNFEYKMPIFLJ-KBPBESRZSA-N 0 3 307.394 2.275 20 5 DEBDHN CN(Cc1ccc([N+](=O)[O-])cc1)CC(C)(C)CN1CCOCC1 ZINC000124167313 402166915 /nfs/dbraw/zinc/16/69/15/402166915.db2.gz JBCLIOFEBXRCSQ-UHFFFAOYSA-N 0 3 321.421 2.385 20 5 DEBDHN O=[N+]([O-])c1ccccc1CN1CCC[C@@H](CN2CCOCC2)C1 ZINC000069858746 402247478 /nfs/dbraw/zinc/24/74/78/402247478.db2.gz DWYDHNYJZOVOBR-HNNXBMFYSA-N 0 3 319.405 2.139 20 5 DEBDHN CCN(CC)CC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000155711052 402265249 /nfs/dbraw/zinc/26/52/49/402265249.db2.gz NGJWONMUKDGFJF-UHFFFAOYSA-N 0 3 307.394 2.376 20 5 DEBDHN Cc1cc(NC(=O)N(C)CCN(C)C2CC2)ccc1[N+](=O)[O-] ZINC000184613258 402283724 /nfs/dbraw/zinc/28/37/24/402283724.db2.gz NQROJBCQBPTUKE-UHFFFAOYSA-N 0 3 306.366 2.461 20 5 DEBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000157260424 402293523 /nfs/dbraw/zinc/29/35/23/402293523.db2.gz SNDCKYJXGBDEBB-IAQYHMDHSA-N 0 3 321.352 2.290 20 5 DEBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCN(C)CC ZINC000184788155 402299667 /nfs/dbraw/zinc/29/96/67/402299667.db2.gz UYOSTIJRMKVTLS-AWEZNQCLSA-N 0 3 307.394 2.231 20 5 DEBDHN O=[N+]([O-])c1ccn(CCN(CCC(F)(F)F)CC2CC2)n1 ZINC000177171361 402377962 /nfs/dbraw/zinc/37/79/62/402377962.db2.gz MTYUJORNHWJECN-UHFFFAOYSA-N 0 3 306.288 2.456 20 5 DEBDHN C[C@@H]1C[C@H](NC(=O)NCc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000177651560 402423771 /nfs/dbraw/zinc/42/37/71/402423771.db2.gz MGWKFZBVVRSRNQ-YPMHNXCESA-N 0 3 318.377 2.019 20 5 DEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000177817204 402439021 /nfs/dbraw/zinc/43/90/21/402439021.db2.gz RNTXMKOUCLEVHZ-HIFRSBDPSA-N 0 3 303.362 2.294 20 5 DEBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCC[C@@H]1O ZINC000181423948 402645566 /nfs/dbraw/zinc/64/55/66/402645566.db2.gz YXKCIEYGKXSXAC-BBRMVZONSA-N 0 3 308.378 2.457 20 5 DEBDHN O=[N+]([O-])c1cccc(OCCN2CCN3CCCC[C@@H]3C2)c1 ZINC000172803238 402676733 /nfs/dbraw/zinc/67/67/33/402676733.db2.gz NHLOGYXCCWMKMP-OAHLLOKOSA-N 0 3 305.378 2.144 20 5 DEBDHN C[C@@H]1C[C@@H](NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000255568150 402691130 /nfs/dbraw/zinc/69/11/30/402691130.db2.gz USOMGHUSIPPUFM-FFZKKDKQSA-N 0 3 315.373 2.349 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](N3CCCC3)C2)c1 ZINC000173444971 402697750 /nfs/dbraw/zinc/69/77/50/402697750.db2.gz TUVDDZIKKUZYCU-ZDUSSCGKSA-N 0 3 303.362 2.214 20 5 DEBDHN CC(C)NC(=O)CCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192650008 402742390 /nfs/dbraw/zinc/74/23/90/402742390.db2.gz MLCYSJFZWXTJMA-OAHLLOKOSA-N 0 3 305.378 2.477 20 5 DEBDHN CC(C)CN(CCN(C)C)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183623854 402782673 /nfs/dbraw/zinc/78/26/73/402782673.db2.gz KUQJUNHLYYXERG-UHFFFAOYSA-N 0 3 309.370 2.041 20 5 DEBDHN CCOc1ccc([C@@H](C)N[C@@H](C)C[S@](C)=O)cc1[N+](=O)[O-] ZINC000184303690 402834168 /nfs/dbraw/zinc/83/41/68/402834168.db2.gz DDJKQFFGXDZGFO-FLCAKIMKSA-N 0 3 314.407 2.411 20 5 DEBDHN O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@@H](N2CCCCC2)C1 ZINC000264558473 402889239 /nfs/dbraw/zinc/88/92/39/402889239.db2.gz FETNAXFCWRDLOP-CYBMUJFWSA-N 0 3 321.352 2.434 20 5 DEBDHN Cc1c(C(=O)N2CC[C@H]3CCN(C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000272370903 402928967 /nfs/dbraw/zinc/92/89/67/402928967.db2.gz AQMUIWNWEALEED-IUODEOHRSA-N 0 3 303.362 2.069 20 5 DEBDHN CN(C)C1CN(c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000273351072 402997055 /nfs/dbraw/zinc/99/70/55/402997055.db2.gz VDRCNHLRZDFHAX-UHFFFAOYSA-N 0 3 300.156 2.108 20 5 DEBDHN O=[N+]([O-])c1ccc(Cl)cc1CNC[C@]1(O)CCSC1 ZINC000267027916 403009331 /nfs/dbraw/zinc/00/93/31/403009331.db2.gz KHZTUBJLCKUSCF-GFCCVEGCSA-N 0 3 302.783 2.206 20 5 DEBDHN Cc1ccc([C@H](CNc2ncc([N+](=O)[O-])cn2)N(C)C)cc1 ZINC000273619127 403020376 /nfs/dbraw/zinc/02/03/76/403020376.db2.gz OBDMDZMFEOGPSI-AWEZNQCLSA-N 0 3 301.350 2.408 20 5 DEBDHN O=[N+]([O-])c1ccccc1OCCN[C@H](CO)c1ccc(F)cc1 ZINC000273093821 402970519 /nfs/dbraw/zinc/97/05/19/402970519.db2.gz KCNAMDPVGZQLLV-CQSZACIVSA-N 0 3 320.320 2.436 20 5 DEBDHN CN(C)C[C@@H]1CCCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000268185223 403059426 /nfs/dbraw/zinc/05/94/26/403059426.db2.gz RKUKPMSUGVWMOJ-LBPRGKRZSA-N 0 3 316.361 2.242 20 5 DEBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000268221343 403063041 /nfs/dbraw/zinc/06/30/41/403063041.db2.gz QIEOOBOUTXQRJX-AYBYEKEQSA-N 0 3 315.373 2.207 20 5 DEBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000268240626 403065470 /nfs/dbraw/zinc/06/54/70/403065470.db2.gz UXMXKOQIGNDYDM-RNCFNFMXSA-N 0 3 323.780 2.461 20 5 DEBDHN CO[C@]1(C)C[C@H](NCC(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC000269506971 403145162 /nfs/dbraw/zinc/14/51/62/403145162.db2.gz ZHTMGZFRFBWRKK-XJKSGUPXSA-N 0 3 321.377 2.327 20 5 DEBDHN CN(C)CCN(C)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000269531414 403146826 /nfs/dbraw/zinc/14/68/26/403146826.db2.gz HKUGQKLCTKPANU-UHFFFAOYSA-N 0 3 319.283 2.247 20 5 DEBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC(c3ncc[nH]3)CC2)c1 ZINC000269642177 403152593 /nfs/dbraw/zinc/15/25/93/403152593.db2.gz JRHLIGLHAMOPHC-HNNXBMFYSA-N 0 3 316.361 2.231 20 5 DEBDHN CC(C)c1ccc(CNC[C@]2(O)CCO[C@H]2C)cc1[N+](=O)[O-] ZINC000331205231 403351948 /nfs/dbraw/zinc/35/19/48/403351948.db2.gz SKACFWBNAXZVGA-BLLLJJGKSA-N 0 3 308.378 2.348 20 5 DEBDHN Cc1c(CC(=O)N[C@@H]2CCN(C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000331245118 403361266 /nfs/dbraw/zinc/36/12/66/403361266.db2.gz LTLXUYVCEXPTEJ-SMDDNHRTSA-N 0 3 305.378 2.045 20 5 DEBDHN Cc1ccc([C@@H](C)NC(=O)[C@@H](N)CC(F)F)cc1[N+](=O)[O-] ZINC000345698443 403442337 /nfs/dbraw/zinc/44/23/37/403442337.db2.gz SOIJEYSRROBTKF-SCZZXKLOSA-N 0 3 301.293 2.063 20 5 DEBDHN CN1CCCC(C)(C)[C@H]1CNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000343052074 403445303 /nfs/dbraw/zinc/44/53/03/403445303.db2.gz JANYQMAJIBCDOR-CYBMUJFWSA-N 0 3 320.393 2.226 20 5 DEBDHN Cc1nc([C@@H]2CCCN(Cc3ccccc3[N+](=O)[O-])C2)n[nH]1 ZINC000332241802 403527185 /nfs/dbraw/zinc/52/71/85/403527185.db2.gz ANSJTNYRUNCOOW-CYBMUJFWSA-N 0 3 301.350 2.401 20 5 DEBDHN Cc1n[nH]c([C@@H]2CCCN(Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC000332241802 403527187 /nfs/dbraw/zinc/52/71/87/403527187.db2.gz ANSJTNYRUNCOOW-CYBMUJFWSA-N 0 3 301.350 2.401 20 5 DEBDHN Cc1nnc([C@@H]2CCCN(Cc3ccccc3[N+](=O)[O-])C2)[nH]1 ZINC000332241802 403527189 /nfs/dbraw/zinc/52/71/89/403527189.db2.gz ANSJTNYRUNCOOW-CYBMUJFWSA-N 0 3 301.350 2.401 20 5 DEBDHN CN1CC=C(CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000343335884 403544063 /nfs/dbraw/zinc/54/40/63/403544063.db2.gz KNZKLWOYAXUCAZ-UHFFFAOYSA-N 0 3 314.345 2.068 20 5 DEBDHN CCN1CCC(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000299064467 403512327 /nfs/dbraw/zinc/51/23/27/403512327.db2.gz VTKDAVFEXFCWDF-LBPRGKRZSA-N 0 3 320.393 2.439 20 5 DEBDHN C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCN1C ZINC000343441125 403592673 /nfs/dbraw/zinc/59/26/73/403592673.db2.gz BTCWLEOIAWREFZ-NOZJJQNGSA-N 0 3 311.769 2.461 20 5 DEBDHN C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000287244705 403558157 /nfs/dbraw/zinc/55/81/57/403558157.db2.gz RGQIRNMPHJVUJI-MNOVXSKESA-N 0 3 309.391 2.355 20 5 DEBDHN C[C@@H](CN(C)C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000287263396 403562900 /nfs/dbraw/zinc/56/29/00/403562900.db2.gz RYBBNTFRAMDLAR-VIFPVBQESA-N 0 3 307.375 2.489 20 5 DEBDHN CCN1CCC[C@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000347255327 403638905 /nfs/dbraw/zinc/63/89/05/403638905.db2.gz FLTHVVXZXAINQJ-NSHDSACASA-N 0 3 310.329 2.340 20 5 DEBDHN CN1CC=C(CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000347259704 403639574 /nfs/dbraw/zinc/63/95/74/403639574.db2.gz DBHQJOUERNFZCA-UHFFFAOYSA-N 0 3 308.313 2.117 20 5 DEBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000287815962 403672556 /nfs/dbraw/zinc/67/25/56/403672556.db2.gz KOESBBOHRLFSRP-KOLCDFICSA-N 0 3 321.406 2.376 20 5 DEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC(OCCO)CC1 ZINC000347353741 403676329 /nfs/dbraw/zinc/67/63/29/403676329.db2.gz GZTLQXVCJQDFOP-SDNWHVSQSA-N 0 3 320.389 2.471 20 5 DEBDHN Cc1cc(C(=O)N2CC[C@@]3(C2)CCCN(C)C3)cc([N+](=O)[O-])c1 ZINC000294271700 403689037 /nfs/dbraw/zinc/68/90/37/403689037.db2.gz UHPAHAMJBDMTMV-KRWDZBQOSA-N 0 3 317.389 2.461 20 5 DEBDHN CCOC(=O)C[C@@H](C)N(C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000343692338 403695360 /nfs/dbraw/zinc/69/53/60/403695360.db2.gz USBDUUJBIDYZCM-LLVKDONJSA-N 0 3 310.350 2.377 20 5 DEBDHN CCCN1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000343583905 403650508 /nfs/dbraw/zinc/65/05/08/403650508.db2.gz ZEUUOPGFKLMMLZ-GFCCVEGCSA-N 0 3 309.341 2.338 20 5 DEBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000288475429 403755389 /nfs/dbraw/zinc/75/53/89/403755389.db2.gz QRMFDQWBEMWEBL-WCQYABFASA-N 0 3 321.352 2.433 20 5 DEBDHN CC(=O)NCC[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000347629870 403782709 /nfs/dbraw/zinc/78/27/09/403782709.db2.gz MKSLOBMSRXLEHU-CQSZACIVSA-N 0 3 305.378 2.333 20 5 DEBDHN Cc1c(NC(=O)N2CC[C@H]3CCN(C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000361748518 403841079 /nfs/dbraw/zinc/84/10/79/403841079.db2.gz BNWFXUKOTHAJEZ-IUODEOHRSA-N 0 3 318.377 2.461 20 5 DEBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](N2CCOCC2)[C@H]1C ZINC000289980745 404013612 /nfs/dbraw/zinc/01/36/12/404013612.db2.gz XPOVNKIYLGPBIF-SQWLQELKSA-N 0 3 319.405 2.451 20 5 DEBDHN COC(=O)[C@]1(C)CN(Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1C ZINC000337422257 404013736 /nfs/dbraw/zinc/01/37/36/404013736.db2.gz BRPDGAHQRHITKP-BDJLRTHQSA-N 0 3 322.361 2.234 20 5 DEBDHN CCN1CCC(N(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000344266871 404019768 /nfs/dbraw/zinc/01/97/68/404019768.db2.gz WDMRYPOQGOKUKM-UHFFFAOYSA-N 0 3 309.341 2.290 20 5 DEBDHN C[C@H](C(=O)N1CCN(C)CC[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000347952624 403974094 /nfs/dbraw/zinc/97/40/94/403974094.db2.gz YMIWTUAGFRBKBE-NEPJUHHUSA-N 0 3 323.368 2.390 20 5 DEBDHN C[C@H](C(=O)N[C@H]1CCCN(C)[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000347958704 403977909 /nfs/dbraw/zinc/97/79/09/403977909.db2.gz OOQKZZKJFPYOSY-PGUXBMHVSA-N 0 3 323.368 2.436 20 5 DEBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@@H](c3ccncc3)C2)n1 ZINC000296025721 404055386 /nfs/dbraw/zinc/05/53/86/404055386.db2.gz ROUSQBDLIDXGQL-CQSZACIVSA-N 0 3 301.350 2.066 20 5 DEBDHN CCn1cc([C@@H](C)NC[C@@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000296121673 404103903 /nfs/dbraw/zinc/10/39/03/404103903.db2.gz QYBWZWBHSAMGPM-IAQYHMDHSA-N 0 3 304.350 2.195 20 5 DEBDHN COc1ccc(C2(NCCn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000341710760 404128360 /nfs/dbraw/zinc/12/83/60/404128360.db2.gz WNMYUVDBKDMGDD-UHFFFAOYSA-N 0 3 302.334 2.079 20 5 DEBDHN CC(C)Oc1cc(C(=O)N(C)CCN(C)C)ccc1[N+](=O)[O-] ZINC000412168089 404168475 /nfs/dbraw/zinc/16/84/75/404168475.db2.gz XITBFAJCVITGQQ-UHFFFAOYSA-N 0 3 309.366 2.016 20 5 DEBDHN CO[C@H](C)[C@@H](C)N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000290469813 404182025 /nfs/dbraw/zinc/18/20/25/404182025.db2.gz GGICAHLYJWRIIC-GRYCIOLGSA-N 0 3 309.366 2.243 20 5 DEBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000344644548 404281255 /nfs/dbraw/zinc/28/12/55/404281255.db2.gz NMLNZCLTELRFAQ-HNNXBMFYSA-N 0 3 319.405 2.374 20 5 DEBDHN CC(C)(CO)[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000352350012 404307536 /nfs/dbraw/zinc/30/75/36/404307536.db2.gz OFTICFBOCALSCD-HNNXBMFYSA-N 0 3 318.377 2.141 20 5 DEBDHN CO[C@@H]1C[C@H](NCc2cc([N+](=O)[O-])cc3c2OCOC3)C1(C)C ZINC000344695448 404313481 /nfs/dbraw/zinc/31/34/81/404313481.db2.gz JKSMYPABCDMLOJ-UONOGXRCSA-N 0 3 322.361 2.364 20 5 DEBDHN O=[N+]([O-])c1cnn(CCNCc2ccc3c(c2)CCCC3)c1 ZINC000291735472 404499391 /nfs/dbraw/zinc/49/93/91/404499391.db2.gz OFANXCANFBUPFC-UHFFFAOYSA-N 0 3 300.362 2.460 20 5 DEBDHN CC(C)[C@@H]1CN(C)CCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000342374469 404539660 /nfs/dbraw/zinc/53/96/60/404539660.db2.gz UBWSOAPADDXQFB-NSHDSACASA-N 0 3 321.406 2.376 20 5 DEBDHN CCCCN(C)CCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000352684115 404546477 /nfs/dbraw/zinc/54/64/77/404546477.db2.gz NFWMVHLDDIYGKQ-UHFFFAOYSA-N 0 3 324.381 2.457 20 5 DEBDHN Cc1cc(C(=O)N2CC[C@]3(CCN(C)C3)C2)cc([N+](=O)[O-])c1 ZINC000292057029 404648985 /nfs/dbraw/zinc/64/89/85/404648985.db2.gz BJKGHOURADVSIY-INIZCTEOSA-N 0 3 303.362 2.071 20 5 DEBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@H]1CN1CCCC1 ZINC000361003017 404873895 /nfs/dbraw/zinc/87/38/95/404873895.db2.gz QYSYZFVZPYFQIW-ZDUSSCGKSA-N 0 3 307.398 2.184 20 5 DEBDHN C[C@H](N[C@@H]1CCN(c2cnn(C)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000360888857 404845211 /nfs/dbraw/zinc/84/52/11/404845211.db2.gz JUDNIOLMVYSGTI-GXTWGEPZSA-N 0 3 315.377 2.258 20 5 DEBDHN CCO[C@@H]1C[C@H](NC/C=C\c2ccccc2[N+](=O)[O-])[C@@H]1OC ZINC000361156557 404949784 /nfs/dbraw/zinc/94/97/84/404949784.db2.gz XWKWORZHVRJNBT-KETQOHCBSA-N 0 3 306.362 2.390 20 5 DEBDHN CC[C@@H](NCCN1CCCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000361354998 405036090 /nfs/dbraw/zinc/03/60/90/405036090.db2.gz LOPUJUBJYJYXOB-MRXNPFEDSA-N 0 3 307.394 2.358 20 5 DEBDHN C[C@H](NC(=O)N1CCN[C@@H](C)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000417140693 405047533 /nfs/dbraw/zinc/04/75/33/405047533.db2.gz QJKJTEBQBDDSIL-SRVKXCTJSA-N 0 3 306.366 2.048 20 5 DEBDHN CC(C)Oc1cc(C(=O)NCC2(N(C)C)CC2)ccc1[N+](=O)[O-] ZINC000416313427 405101321 /nfs/dbraw/zinc/10/13/21/405101321.db2.gz VTTCGFJFKUJFFO-UHFFFAOYSA-N 0 3 321.377 2.206 20 5 DEBDHN NC(=O)c1ccc(CN(CC2CC2)C2CCC2)c([N+](=O)[O-])c1 ZINC000361580468 405142516 /nfs/dbraw/zinc/14/25/16/405142516.db2.gz YQCPCMLHCLFDDQ-UHFFFAOYSA-N 0 3 303.362 2.458 20 5 DEBDHN O=[N+]([O-])c1ccc(CN2CC[C@@H](c3nc[nH]n3)C2)c(Cl)c1 ZINC000425359433 405280096 /nfs/dbraw/zinc/28/00/96/405280096.db2.gz SKTFSJDSCHLMHH-SNVBAGLBSA-N 0 3 307.741 2.356 20 5 DEBDHN CO[C@@H]1C[C@H](NCC(=O)Nc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000453129361 405285936 /nfs/dbraw/zinc/28/59/36/405285936.db2.gz XWKSYCPQAMDNMY-UONOGXRCSA-N 0 3 319.361 2.081 20 5 DEBDHN Cc1cc(NC[C@@H]2CNCCO2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420273241 405304618 /nfs/dbraw/zinc/30/46/18/405304618.db2.gz DFBMKLMHYWWSJT-VIFPVBQESA-N 0 3 319.283 2.322 20 5 DEBDHN COC(=O)COc1ccc(CN(C)[C@@H]2CC2(C)C)cc1[N+](=O)[O-] ZINC000426537953 405367665 /nfs/dbraw/zinc/36/76/65/405367665.db2.gz HQQSTZCIYMFLMG-CQSZACIVSA-N 0 3 322.361 2.377 20 5 DEBDHN CN(C[C@@H]1CCCN1C)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000421712914 405608465 /nfs/dbraw/zinc/60/84/65/405608465.db2.gz RSGAOYZGQRIFQZ-HNNXBMFYSA-N 0 3 305.378 2.080 20 5 DEBDHN CCN1C[C@@H](C)N(CCOc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000459492128 405928555 /nfs/dbraw/zinc/92/85/55/405928555.db2.gz ZTDGXYHONYBLTD-ZIAGYGMSSA-N 0 3 307.394 2.388 20 5 DEBDHN COCCCN(C)CCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000515432448 406068834 /nfs/dbraw/zinc/06/88/34/406068834.db2.gz DFJYTWLWUOULMI-OAHLLOKOSA-N 0 3 307.394 2.140 20 5 DEBDHN COc1ccc(CN2CCN(C)[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000487968620 406278752 /nfs/dbraw/zinc/27/87/52/406278752.db2.gz GCXQCBJCNPSWLR-OAHLLOKOSA-N 0 3 307.394 2.375 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)n1 ZINC000488715805 406340175 /nfs/dbraw/zinc/34/01/75/406340175.db2.gz BEARPEUWXBWGFG-LALPHHSUSA-N 0 3 304.394 2.465 20 5 DEBDHN C[C@@H]1C[C@@H]1N1CCN(c2ccc([N+](=O)[O-])c(N)c2F)C[C@@H](C)C1 ZINC000488717599 406340526 /nfs/dbraw/zinc/34/05/26/406340526.db2.gz FAZRINLMFNXNIT-GYSYKLTISA-N 0 3 322.384 2.483 20 5 DEBDHN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CC[C@H](N2CCCC2)C1 ZINC000548087410 406479256 /nfs/dbraw/zinc/47/92/56/406479256.db2.gz AUGDJSAMBDSCGS-ZDUSSCGKSA-N 0 3 322.340 2.436 20 5 DEBDHN O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N[C@H]1CCN(C2CC2)C1 ZINC000491564433 406624611 /nfs/dbraw/zinc/62/46/11/406624611.db2.gz WZKQJJQSTSQTNM-XYRDXQRHSA-N 0 3 319.336 2.100 20 5 DEBDHN CCCN(CCN1CCCCC1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000552040873 406678623 /nfs/dbraw/zinc/67/86/23/406678623.db2.gz DCKRXXUUPTZUOX-UHFFFAOYSA-N 0 3 322.409 2.271 20 5 DEBDHN C[C@@H]1CCN(C)CCN1C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000491890422 406765574 /nfs/dbraw/zinc/76/55/74/406765574.db2.gz XRGFMRYJWVDFLO-TXNVCOODSA-N 0 3 321.352 2.300 20 5 DEBDHN C[C@@H]1CCN(CCNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000491917297 406777942 /nfs/dbraw/zinc/77/79/42/406777942.db2.gz YECBVIPGEQXGDJ-CFHLNLSMSA-N 0 3 303.362 2.066 20 5 DEBDHN CN(C)C1(CNC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CCC1 ZINC000491972869 406797532 /nfs/dbraw/zinc/79/75/32/406797532.db2.gz MBIOROPEIGSRDX-FNORWQNLSA-N 0 3 321.352 2.348 20 5 DEBDHN C[C@@H]1COCCN1C1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000555877274 406857153 /nfs/dbraw/zinc/85/71/53/406857153.db2.gz CAXQEAKGDXDCEL-CQSZACIVSA-N 0 3 319.405 2.280 20 5 DEBDHN CNC(=O)[C@@H]1CCC[C@@H]1N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000570582240 292492517 /nfs/dbraw/zinc/49/25/17/292492517.db2.gz ZYRYFILLCXLCSZ-HZSPNIEDSA-N 0 3 303.362 2.086 20 5 DEBDHN C[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)N1[C@H](C)CC[C@@H]1C ZINC000130569203 196091289 /nfs/dbraw/zinc/09/12/89/196091289.db2.gz VMRMHBZOWLMVOG-XQQFMLRXSA-N 0 3 305.378 2.472 20 5 DEBDHN C[C@@H]1CCCN(CCNC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000132827585 196288143 /nfs/dbraw/zinc/28/81/43/196288143.db2.gz ZJHMHIZBMRHLHA-LLVKDONJSA-N 0 3 309.341 2.196 20 5 DEBDHN CCOC(=O)c1ccnc(NCCN(CC)C2CC2)c1[N+](=O)[O-] ZINC000133980554 196351074 /nfs/dbraw/zinc/35/10/74/196351074.db2.gz WCNBHVSORCSLGA-UHFFFAOYSA-N 0 3 322.365 2.063 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC1(CN(C)C)CCC1 ZINC000421534703 229939814 /nfs/dbraw/zinc/93/98/14/229939814.db2.gz BTWKJVDNLSDOST-UHFFFAOYSA-N 0 3 305.378 2.426 20 5 DEBDHN COCCNCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000216077231 424884880 /nfs/dbraw/zinc/88/48/80/424884880.db2.gz BMMKYUCJYXOLFY-UHFFFAOYSA-N 0 3 307.272 2.262 20 5 DEBDHN CC[C@@H](C)N[C@H](CNc1ncc([N+](=O)[O-])c(C)n1)c1ccco1 ZINC000450531422 425075792 /nfs/dbraw/zinc/07/57/92/425075792.db2.gz SRXVRVSRKDFTBE-ZYHUDNBSSA-N 0 3 319.365 2.828 20 5 DEBDHN CCCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000496422689 269219088 /nfs/dbraw/zinc/21/90/88/269219088.db2.gz XOJKELNTJGWKLH-GHMZBOCLSA-N 0 3 318.370 2.230 20 5 DEBDHN CO[C@@H]([C@@H](C)N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000414177340 274061851 /nfs/dbraw/zinc/06/18/51/274061851.db2.gz IGTHURFGDVXTHA-HFAKWTLXSA-N 0 3 321.377 2.325 20 5 DEBDHN CO[C@H](C)[C@H](C)N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000191703608 274076330 /nfs/dbraw/zinc/07/63/30/274076330.db2.gz GGICAHLYJWRIIC-SDDRHHMPSA-N 0 3 309.366 2.243 20 5 DEBDHN C[C@@H](Nc1ncc([N+](=O)[O-])cn1)[C@H](c1ccccc1)N(C)C ZINC000281065805 274265055 /nfs/dbraw/zinc/26/50/55/274265055.db2.gz ZRAGFBUBDRZCFX-BXUZGUMPSA-N 0 3 301.350 2.488 20 5 DEBDHN O=C1CC[C@@H](N[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CN1 ZINC000417313607 275017932 /nfs/dbraw/zinc/01/79/32/275017932.db2.gz POHBAGUEXLZGKX-DOMZBBRYSA-N 0 3 303.362 2.231 20 5 DEBDHN O=C1OCCN1c1cc([N+](=O)[O-])ccc1NCCN1CCCC1 ZINC000271623140 275026537 /nfs/dbraw/zinc/02/65/37/275026537.db2.gz MNUKRYCDWHJOAJ-UHFFFAOYSA-N 0 3 320.349 2.059 20 5 DEBDHN CN1CCC[C@]2(CCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C2)C1 ZINC000294090221 277086464 /nfs/dbraw/zinc/08/64/64/277086464.db2.gz KCCXVTJBEZLHIQ-INIZCTEOSA-N 0 3 321.352 2.292 20 5 DEBDHN CS[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)C[C@H]1N(C)C ZINC000270386442 277524756 /nfs/dbraw/zinc/52/47/56/277524756.db2.gz RIPSMOKTJGDQLN-GHMZBOCLSA-N 0 3 316.814 2.125 20 5 DEBDHN C[C@@H](NC[C@H]1COC2(CCOCC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000182342761 277623489 /nfs/dbraw/zinc/62/34/89/277623489.db2.gz SACSQXFJWZKJBB-DOMZBBRYSA-N 0 3 322.361 2.168 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@H](C(=O)N(C)C)C1 ZINC000411936290 281021213 /nfs/dbraw/zinc/02/12/13/281021213.db2.gz FLCXYIPOXGKWBV-QWHCGFSZSA-N 0 3 305.378 2.374 20 5 DEBDHN Cc1cccc(N2CCN(C3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000275503818 281228063 /nfs/dbraw/zinc/22/80/63/281228063.db2.gz SSJBZTZUGBUQPV-UHFFFAOYSA-N 0 3 305.378 2.204 20 5 DEBDHN COc1cccc(C(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000194450179 295283021 /nfs/dbraw/zinc/28/30/21/295283021.db2.gz QQPUWECGNZFXFR-AAEUAGOBSA-N 0 3 321.377 2.016 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000574724959 326181087 /nfs/dbraw/zinc/18/10/87/326181087.db2.gz MWSOCWLCWLXPEN-CWRNSKLLSA-N 0 3 319.405 2.417 20 5 DEBDHN O=C(N[C@@H]1CCN(C2CCCC2)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000134295158 501062640 /nfs/dbraw/zinc/06/26/40/501062640.db2.gz RICVCYNCUGUJNY-GFCCVEGCSA-N 0 3 321.352 2.481 20 5 DEBDHN O=C(CCN1[C@@H]2CC[C@H]1CC(=O)C2)Nc1ccccc1[N+](=O)[O-] ZINC000299270933 534419850 /nfs/dbraw/zinc/41/98/50/534419850.db2.gz KYVKLOUTYJURMO-TXEJJXNPSA-N 0 3 317.345 2.119 20 5 DEBDHN CCCCN1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000338437113 520583021 /nfs/dbraw/zinc/58/30/21/520583021.db2.gz DCWMPFGBYLFMLW-GFCCVEGCSA-N 0 3 308.382 2.307 20 5 DEBDHN COc1ccc2oc(CNCCn3cc([N+](=O)[O-])cn3)cc2c1 ZINC000126977850 525687577 /nfs/dbraw/zinc/68/75/77/525687577.db2.gz FCNGBGFBBBPDQI-UHFFFAOYSA-N 0 3 316.317 2.336 20 5 DEBDHN CC(=O)c1ccc(N2CC[C@]3(CCN(C)C3)C2)c([N+](=O)[O-])c1 ZINC000292386404 527289581 /nfs/dbraw/zinc/28/95/81/527289581.db2.gz SYXKNHUXICOPPO-INIZCTEOSA-N 0 3 303.362 2.329 20 5 DEBDHN CCOc1ccc(C(=O)NCC2(N(C)C)CCC2)cc1[N+](=O)[O-] ZINC000353333658 535705662 /nfs/dbraw/zinc/70/56/62/535705662.db2.gz HHOGZEHVPGMKLC-UHFFFAOYSA-N 0 3 321.377 2.208 20 5 DEBDHN COC[C@H](N[C@@H](C)Cc1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000449292833 536877938 /nfs/dbraw/zinc/87/79/38/536877938.db2.gz RWPDPXJRNNLMHO-DUVNUKRYSA-N 0 3 308.378 2.309 20 5 DEBDHN Cc1c(CC(=O)N[C@@]2(C)CN3CCC2CC3)cccc1[N+](=O)[O-] ZINC000892776485 625582019 /nfs/dbraw/zinc/58/20/19/625582019.db2.gz OKJLUCCHEAUXGC-KRWDZBQOSA-N 0 3 317.389 2.046 20 5 DEBDHN Cc1cc(C(=O)N[C@@]2(C)CN3CCC2CC3)cc([N+](=O)[O-])c1 ZINC000892783549 625599998 /nfs/dbraw/zinc/59/99/98/625599998.db2.gz CIJCNOLXENTZHB-INIZCTEOSA-N 0 3 303.362 2.117 20 5 DEBDHN Cc1cc(C(=O)N[C@]2(C)CN3CCC2CC3)cc([N+](=O)[O-])c1 ZINC000892783550 625600116 /nfs/dbraw/zinc/60/01/16/625600116.db2.gz CIJCNOLXENTZHB-MRXNPFEDSA-N 0 3 303.362 2.117 20 5 DEBDHN COc1ccc(CCC(=O)OCC(C)[N+](=O)[O-])cc1Cl ZINC000813105099 623300663 /nfs/dbraw/zinc/30/06/63/623300663.db2.gz VPLKFFWVUDLHEO-VIFPVBQESA-N 0 3 301.726 2.490 20 5 DEBDHN COc1c([O-])ccc(CN2CCC[N@@H+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000891439833 624176089 /nfs/dbraw/zinc/17/60/89/624176089.db2.gz DLCGWKMXTILTAM-UHFFFAOYSA-N 0 3 323.393 2.225 20 5 DEBDHN COc1c([O-])ccc(CN2CCC[N@H+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000891439833 624176090 /nfs/dbraw/zinc/17/60/90/624176090.db2.gz DLCGWKMXTILTAM-UHFFFAOYSA-N 0 3 323.393 2.225 20 5 DEBDHN CCN(CC)[C@H](CNc1c([N+](=O)[O-])cnn1C)c1ccco1 ZINC000892076625 624772340 /nfs/dbraw/zinc/77/23/40/624772340.db2.gz ZVRZSVQAOKXVOO-LLVKDONJSA-N 0 3 307.354 2.416 20 5 DEBDHN COc1c(O)ccc(CNCCc2nc(C)cs2)c1[N+](=O)[O-] ZINC000892551930 625141994 /nfs/dbraw/zinc/14/19/94/625141994.db2.gz NIBHDKZCVIMWTO-UHFFFAOYSA-N 0 3 323.374 2.406 20 5 DEBDHN COc1c([O-])ccc(C[NH2+]CCc2nc(C)cs2)c1[N+](=O)[O-] ZINC000892551930 625141996 /nfs/dbraw/zinc/14/19/96/625141996.db2.gz NIBHDKZCVIMWTO-UHFFFAOYSA-N 0 3 323.374 2.406 20 5 DEBDHN COc1ccc(CNC[C@@]2(OC(C)C)CCOC2)cc1[N+](=O)[O-] ZINC000922612144 636281317 /nfs/dbraw/zinc/28/13/17/636281317.db2.gz XFPWSKVFVZPVKV-INIZCTEOSA-N 0 3 324.377 2.277 20 5 DEBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000923315829 637105866 /nfs/dbraw/zinc/10/58/66/637105866.db2.gz MTPVEHXMYRABFO-XJAWQDFRSA-N 0 3 315.373 2.303 20 5 DEBDHN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000928438908 637236782 /nfs/dbraw/zinc/23/67/82/637236782.db2.gz NDNFNNVMZZMDIV-SRDIGTRLSA-N 0 3 303.362 2.207 20 5 DEBDHN CCOC(=O)Cc1ccc(N[C@@H]2CCN(C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000895734988 638176853 /nfs/dbraw/zinc/17/68/53/638176853.db2.gz BHKCZVIVDRQNNL-WCQYABFASA-N 0 3 321.377 2.205 20 5 DEBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@H](CCO)c2cccs2)c1 ZINC000754383249 639423605 /nfs/dbraw/zinc/42/36/05/639423605.db2.gz DOVCATGJLBXTGH-ZIAGYGMSSA-N 0 3 322.386 2.403 20 5 DEBDHN Cc1cc(F)cc(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000758598429 639977480 /nfs/dbraw/zinc/97/74/80/639977480.db2.gz XZTDTSZTNBMWSO-YGRLFVJLSA-N 0 3 321.352 2.255 20 5 DEBDHN C[C@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C)CN1 ZINC000841011617 640713503 /nfs/dbraw/zinc/71/35/03/640713503.db2.gz SNTRFPKDGOIOIZ-IUCAKERBSA-N 0 3 312.757 2.462 20 5 DEBDHN CCN1C[C@@H](C)N(c2ccc([N+](=O)[O-])c3nonc32)C[C@H]1C ZINC000765635946 640802972 /nfs/dbraw/zinc/80/29/72/640802972.db2.gz OKGXAAWJTLNEJR-NXEZZACHSA-N 0 3 305.338 2.050 20 5 DEBDHN CCN1C[C@@H](C)N(c2ccc([N+](=O)[O-])c3nonc32)C[C@@H]1C ZINC000765635948 640803017 /nfs/dbraw/zinc/80/30/17/640803017.db2.gz OKGXAAWJTLNEJR-VHSXEESVSA-N 0 3 305.338 2.050 20 5 DEBDHN COc1c([O-])ccc(C[NH2+]C2CC3(C2)CO[C@@H](C)C3)c1[N+](=O)[O-] ZINC000897776676 640922710 /nfs/dbraw/zinc/92/27/10/640922710.db2.gz UQJZZQKJKWFHBH-LWOUBBNUSA-N 0 3 322.361 2.356 20 5 DEBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNCC[C@@H](O)C2CC2)c1 ZINC000898205564 641046836 /nfs/dbraw/zinc/04/68/36/641046836.db2.gz FDLCLUYAGBCTBI-GFCCVEGCSA-N 0 3 316.304 2.447 20 5 DEBDHN O=[N+]([O-])c1ccc([C@H](O)CN[C@@H](CO)c2ccsc2)cc1 ZINC000770688995 641408770 /nfs/dbraw/zinc/40/87/70/641408770.db2.gz OYWOZFBBWBMRMW-UONOGXRCSA-N 0 3 308.359 2.013 20 5 DEBDHN COc1cc([C@@H](C)NCCC(=O)NC(C)C)cc([N+](=O)[O-])c1 ZINC000903066714 643235989 /nfs/dbraw/zinc/23/59/89/643235989.db2.gz OASNZIMWZVAURB-LLVKDONJSA-N 0 3 309.366 2.169 20 5 DEBDHN COc1cc([C@H](C)NCC[C@H](C)[S@](C)=O)cc([N+](=O)[O-])c1 ZINC000903123506 643259978 /nfs/dbraw/zinc/25/99/78/643259978.db2.gz AQKQYRZWLYJPJU-HJTOQOCKSA-N 0 3 314.407 2.411 20 5 DEBDHN COc1cc([C@@H](C)NCC2([S@@](C)=O)CC2)cc([N+](=O)[O-])c1 ZINC000903166706 643279627 /nfs/dbraw/zinc/27/96/27/643279627.db2.gz DDGLADITOTZVGT-LADRHHBVSA-N 0 3 312.391 2.165 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC[C@@H]1CC(=O)N(C)C1 ZINC000903209852 643288925 /nfs/dbraw/zinc/28/89/25/643288925.db2.gz GGFINQOWXKVYJN-VXGBXAGGSA-N 0 3 321.377 2.122 20 5 DEBDHN Cc1c(CNC[C@@H](O)CC2(O)CCCCC2)cccc1[N+](=O)[O-] ZINC000905234446 643845521 /nfs/dbraw/zinc/84/55/21/643845521.db2.gz ZHCMFFTURYISOE-HNNXBMFYSA-N 0 3 322.405 2.439 20 5 DEBDHN CC(C)(CCc1noc([C@H]2CNCc3ccccc32)n1)[N+](=O)[O-] ZINC000843232763 650935281 /nfs/dbraw/zinc/93/52/81/650935281.db2.gz BPEASOMQWFRCOS-ZDUSSCGKSA-N 0 3 316.361 2.293 20 5 DEBDHN COC(=O)C[C@H](NCc1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000797521664 644892030 /nfs/dbraw/zinc/89/20/30/644892030.db2.gz YORKLRTVPHANNH-ZDUSSCGKSA-N 0 3 308.334 2.035 20 5 DEBDHN CC(=O)N1CC[C@@H](CN(C)Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801524992 645409094 /nfs/dbraw/zinc/40/90/94/645409094.db2.gz OLXOVWWYNKXQRI-ZDUSSCGKSA-N 0 3 309.341 2.034 20 5 DEBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000801600362 645422267 /nfs/dbraw/zinc/42/22/67/645422267.db2.gz OYXMEPDCVHWIIG-AWEZNQCLSA-N 0 3 304.346 2.165 20 5 DEBDHN CC(C)(C)N1CC[C@@](F)(C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000810244924 646344043 /nfs/dbraw/zinc/34/40/43/646344043.db2.gz KCZUMCHQPWODJN-INIZCTEOSA-N 0 3 323.368 2.424 20 5 DEBDHN COc1ccccc1-n1ncc(C(=O)OCC(C)[N+](=O)[O-])c1C ZINC000813101742 646728344 /nfs/dbraw/zinc/72/83/44/646728344.db2.gz IDYSLFJVRRLRQL-JTQLQIEISA-N 0 3 319.317 2.011 20 5 DEBDHN Cc1cc(C)n(-c2ccc(C(=O)OCC(C)[N+](=O)[O-])cc2)n1 ZINC000813101551 646728614 /nfs/dbraw/zinc/72/86/14/646728614.db2.gz DFCRWMXMDMUINV-GFCCVEGCSA-N 0 3 303.318 2.311 20 5 DEBDHN CC(COC(=O)[C@H](OC1CCOCC1)c1ccccc1)[N+](=O)[O-] ZINC000813106497 646729539 /nfs/dbraw/zinc/72/95/39/646729539.db2.gz CSPLJCWTSXMHLH-SWLSCSKDSA-N 0 3 323.345 2.132 20 5 DEBDHN COc1cccc(C(=O)OCC(C)[N+](=O)[O-])c1OC(F)F ZINC000813109457 646730289 /nfs/dbraw/zinc/73/02/89/646730289.db2.gz TTZRMJHNHRQQML-ZETCQYMHSA-N 0 3 305.233 2.119 20 5 DEBDHN CC(COC(=O)c1csc(-c2ncccc2F)n1)[N+](=O)[O-] ZINC000813108420 646730754 /nfs/dbraw/zinc/73/07/54/646730754.db2.gz YKMIQVZTVDMNLW-SSDOTTSWSA-N 0 3 311.294 2.166 20 5 DEBDHN CC(COC(=O)Cc1cc(Br)ccc1F)[N+](=O)[O-] ZINC000813110830 646731500 /nfs/dbraw/zinc/73/15/00/646731500.db2.gz KIAMVIPYINTYBG-ZETCQYMHSA-N 0 3 320.114 2.339 20 5 DEBDHN Cc1cc(C)n(Cc2ccc(C(=O)OCC(C)[N+](=O)[O-])cc2)n1 ZINC000813115194 646732490 /nfs/dbraw/zinc/73/24/90/646732490.db2.gz MMTNZZKTUDAOKF-ZDUSSCGKSA-N 0 3 317.345 2.370 20 5 DEBDHN CC(C)COc1cccc(OCC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813114004 646733305 /nfs/dbraw/zinc/73/33/05/646733305.db2.gz XUFGMGURCAHUJP-GFCCVEGCSA-N 0 3 311.334 2.309 20 5 DEBDHN CCc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1-c1ccccc1 ZINC000813115742 646734161 /nfs/dbraw/zinc/73/41/61/646734161.db2.gz YZYWYUJXXKPTAO-NSHDSACASA-N 0 3 303.318 2.257 20 5 DEBDHN CC(COC(=O)Cc1cscc1Br)[N+](=O)[O-] ZINC000816091280 647089936 /nfs/dbraw/zinc/08/99/36/647089936.db2.gz QLYBDFXPBZFHOK-ZCFIWIBFSA-N 0 3 308.153 2.262 20 5 DEBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000816952958 647205113 /nfs/dbraw/zinc/20/51/13/647205113.db2.gz WLBADUKZJDQVGI-CABZTGNLSA-N 0 3 309.753 2.024 20 5 DEBDHN COc1ccc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1O ZINC000731679153 647501655 /nfs/dbraw/zinc/50/16/55/647501655.db2.gz YHTGSGHJYNVGQR-OAHLLOKOSA-N 0 3 318.329 2.132 20 5 DEBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@@H]2COCc3ccccc32)c1 ZINC000819373264 647645714 /nfs/dbraw/zinc/64/57/14/647645714.db2.gz FSNVBRSTHDAZNR-IAGOWNOFSA-N 0 3 314.341 2.489 20 5 DEBDHN CO[C@@H]1CC[C@H](N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000821349477 648040835 /nfs/dbraw/zinc/04/08/35/648040835.db2.gz XCQUIJSAARQMGR-UONOGXRCSA-N 0 3 305.378 2.284 20 5 DEBDHN O=C(CNc1ccccc1[N+](=O)[O-])OCCN1CCCCC1 ZINC000920603421 648238036 /nfs/dbraw/zinc/23/80/36/648238036.db2.gz XGEIMNKRVBUGPE-UHFFFAOYSA-N 0 3 307.350 2.036 20 5 DEBDHN Cc1ccc(CNC(=O)CN2[C@H](C)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000825648101 648793852 /nfs/dbraw/zinc/79/38/52/648793852.db2.gz LMPYRMRMLSYKEA-CHWSQXEVSA-N 0 3 305.378 2.392 20 5 DEBDHN CN1C[C@@H]2CCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000832690125 649735975 /nfs/dbraw/zinc/73/59/75/649735975.db2.gz CKOSKAYCMMQKRB-GXFFZTMASA-N 0 3 309.753 2.024 20 5 DEBDHN CC([C@@H](OC(=O)C1=CCOCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845878254 651291693 /nfs/dbraw/zinc/29/16/93/651291693.db2.gz RZHODDFNQOPSMH-IINYFYTJSA-N 0 3 309.293 2.422 20 5 DEBDHN O=C1O[C@H](CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])CN1C1CC1 ZINC000848573711 651473045 /nfs/dbraw/zinc/47/30/45/651473045.db2.gz JFOPCARLHVIDBL-BXUZGUMPSA-N 0 3 317.345 2.155 20 5 DEBDHN Cc1ccc(CNCC[S@](=O)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000850351124 651908038 /nfs/dbraw/zinc/90/80/38/651908038.db2.gz ZEJAMFPWVVYGII-NRFANRHFSA-N 0 3 324.324 2.304 20 5 DEBDHN C[C@H]1[C@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCN1C ZINC000928428503 693776191 /nfs/dbraw/zinc/77/61/91/693776191.db2.gz XNSMGBOLFDYZRN-SWLSCSKDSA-N 0 3 317.389 2.225 20 5 DEBDHN Cc1ccnn1CC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000860855057 685968798 /nfs/dbraw/zinc/96/87/98/685968798.db2.gz PVPXLLPLOPKTLO-XHDPSFHLSA-N 0 3 321.308 2.280 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000930317593 694135329 /nfs/dbraw/zinc/13/53/29/694135329.db2.gz VHGHYAGJVOBXGV-NWDGAFQWSA-N 0 3 306.366 2.426 20 5 DEBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1c2ccccc2[C@@H](N)C1(C)C ZINC000867992121 687865915 /nfs/dbraw/zinc/86/59/15/687865915.db2.gz WSIPVVCGAFQYEA-CQSZACIVSA-N 0 3 314.345 2.372 20 5 DEBDHN Cc1cn(C(C)(C)C(=O)OCC(C)[N+](=O)[O-])nc1C(F)(F)F ZINC000870376757 688552066 /nfs/dbraw/zinc/55/20/66/688552066.db2.gz MHJFKTOJZJCOCJ-QMMMGPOBSA-N 0 3 323.271 2.154 20 5 DEBDHN COc1c(C(=O)N2CCN(C)C(C)(C)CC2)cccc1[N+](=O)[O-] ZINC000871156666 688738895 /nfs/dbraw/zinc/73/88/95/688738895.db2.gz HZYFDYIBNMQXKO-UHFFFAOYSA-N 0 3 321.377 2.160 20 5 DEBDHN CC(C)[C@H]1CN(Cn2ncc3cc([N+](=O)[O-])ccc32)CCN1C ZINC000872738512 689080269 /nfs/dbraw/zinc/08/02/69/689080269.db2.gz KICWAKUACPBNSE-MRXNPFEDSA-N 0 3 317.393 2.174 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1CN1[C@H](C)CC[C@@H](C(N)=O)[C@H]1C ZINC000930913480 694271549 /nfs/dbraw/zinc/27/15/49/694271549.db2.gz XMWOXSAVTZJQQY-JTNHKYCSSA-N 0 3 321.377 2.078 20 5 DEBDHN CN1CC[C@H](NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000877019743 689998953 /nfs/dbraw/zinc/99/89/53/689998953.db2.gz QIPNFSICCBBWGY-NSHDSACASA-N 0 3 303.284 2.407 20 5 DEBDHN CC(C)(NC[C@@H](O)CC1(O)CCCC1)c1ccccc1[N+](=O)[O-] ZINC000878644216 690464713 /nfs/dbraw/zinc/46/47/13/690464713.db2.gz VYHHOOIVKYVLQR-ZDUSSCGKSA-N 0 3 322.405 2.476 20 5 DEBDHN COCCN(Cc1ccc([N+](=O)[O-])c(F)c1)C1CCOCC1 ZINC000879709722 690712272 /nfs/dbraw/zinc/71/22/72/690712272.db2.gz PMEVSCFNZQRMNZ-UHFFFAOYSA-N 0 3 312.341 2.361 20 5 DEBDHN CC(C)(O)[C@@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000879963098 690768088 /nfs/dbraw/zinc/76/80/88/690768088.db2.gz FTEYIRWLTDPJOI-UKRRQHHQSA-N 0 3 308.378 2.111 20 5 DEBDHN CCN1CC[C@@H]1CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000883360688 691488859 /nfs/dbraw/zinc/48/88/59/691488859.db2.gz IPQYXBDLXDRGDD-GFCCVEGCSA-N 0 3 315.320 2.380 20 5 DEBDHN O=[N+]([O-])c1ccc(Cl)cc1CN[C@H](CO)C[C@@H]1CCCO1 ZINC000886226825 692030105 /nfs/dbraw/zinc/03/01/05/692030105.db2.gz RZUAPVIBDJWZRH-STQMWFEESA-N 0 3 314.769 2.268 20 5 DEBDHN Cc1nc(C2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)[nH]c1C ZINC000886665856 692153048 /nfs/dbraw/zinc/15/30/48/692153048.db2.gz IFOABWSYIHBPCI-UHFFFAOYSA-N 0 3 318.381 2.011 20 5 DEBDHN CCCN(CCN(C)C)C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000932034965 694533807 /nfs/dbraw/zinc/53/38/07/694533807.db2.gz SVIBTISWDFKUPX-JKSUJKDBSA-N 0 3 319.405 2.499 20 5 DEBDHN C[C@@H](C[C@@H]1CCC(=O)N1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000925515085 693286997 /nfs/dbraw/zinc/28/69/97/693286997.db2.gz SITXPQZMKUPITP-ONGXEEELSA-N 0 3 311.769 2.395 20 5 DEBDHN C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001357261268 1152278570 /nfs/dbraw/zinc/27/85/70/1152278570.db2.gz VMVBEXJKVYJVAP-QPKOPYBWSA-N 0 3 324.402 2.003 20 5 DEBDHN CCN(CC)CC(=O)N(CC)CCNc1ccccc1[N+](=O)[O-] ZINC001106776236 782929626 /nfs/dbraw/zinc/92/96/26/782929626.db2.gz YHSWHOJPEMNAHL-UHFFFAOYSA-N 0 3 322.409 2.197 20 5 DEBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N[C@H](CO)c2cc(F)ccc2F)C1 ZINC001169006500 784999935 /nfs/dbraw/zinc/99/99/35/784999935.db2.gz YESCNTGVLBHSDK-OLUVUFQESA-N 0 3 300.305 2.033 20 5 DEBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CC3(CCN3Cc3ccccc3)C2)C1 ZINC001169038278 785012628 /nfs/dbraw/zinc/01/26/28/785012628.db2.gz XPPNLOYWQJCXPP-IAGOWNOFSA-N 0 3 315.417 2.392 20 5 DEBDHN CCOC(=O)C1(CNc2cc3c(cc2[N+](=O)[O-])CNC3)CCC1 ZINC001169562108 785242524 /nfs/dbraw/zinc/24/25/24/785242524.db2.gz YISKVVXMQWEQFM-UHFFFAOYSA-N 0 3 319.361 2.343 20 5 DEBDHN C[C@@H](Nc1ccc2cc(F)cc([N+](=O)[O-])c2n1)[C@@H]1CNCCO1 ZINC001170569780 787649424 /nfs/dbraw/zinc/64/94/24/787649424.db2.gz MFICUBPQTDNHGM-RNCFNFMXSA-N 0 3 320.324 2.071 20 5 DEBDHN O=[N+]([O-])c1cc2c(cc1NCc1cccc3ccnn31)CNC2 ZINC001170709334 788635712 /nfs/dbraw/zinc/63/57/12/788635712.db2.gz LONKIIIIVQIRLA-UHFFFAOYSA-N 0 3 309.329 2.458 20 5 DEBDHN NC(=O)[C@H]1CCCCN1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172914471 793530578 /nfs/dbraw/zinc/53/05/78/793530578.db2.gz GWMRLBYHJVBJDT-GOEBONIOSA-N 0 3 317.389 2.182 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCCC[C@]12CCCOC2 ZINC001177015909 794557628 /nfs/dbraw/zinc/55/76/28/794557628.db2.gz SGFSACHMTUHTJR-OAHLLOKOSA-N 0 3 308.382 2.135 20 5 DEBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CCCCN1C ZINC001122277104 795743208 /nfs/dbraw/zinc/74/32/08/795743208.db2.gz LIHRUWAZXWKYJH-AWEZNQCLSA-N 0 3 320.393 2.221 20 5 DEBDHN O=C(/C=C/c1ccco1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001122734807 795799805 /nfs/dbraw/zinc/79/98/05/795799805.db2.gz LCNANGLZSWXJMG-BQYQJAHWSA-N 0 3 315.329 2.107 20 5 DEBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC001123264189 795882141 /nfs/dbraw/zinc/88/21/41/795882141.db2.gz UETNGLXNCZBXAC-UHFFFAOYSA-N 0 3 305.359 2.176 20 5 DEBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])c1ccco1 ZINC001154211676 797486355 /nfs/dbraw/zinc/48/63/55/797486355.db2.gz PLIATWYABHHGAY-UHFFFAOYSA-N 0 3 303.318 2.098 20 5 DEBDHN C[C@@H](N)c1nc2ccccc2n1-c1ncc([N+](=O)[O-])cc1F ZINC001155247246 797716411 /nfs/dbraw/zinc/71/64/11/797716411.db2.gz DXTHUOPCPFVEEI-MRVPVSSYSA-N 0 3 301.281 2.488 20 5 DEBDHN O=[N+]([O-])c1cnc(N2CCNC[C@H]2c2cccs2)c(F)c1 ZINC001156097316 797925087 /nfs/dbraw/zinc/92/50/87/797925087.db2.gz HLJJLCDSVPQPCI-NSHDSACASA-N 0 3 308.338 2.341 20 5 DEBDHN O=C(CC1CCC1)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001156187402 797943361 /nfs/dbraw/zinc/94/33/61/797943361.db2.gz VGKDNFJMUFTSRG-UHFFFAOYSA-N 0 3 305.378 2.381 20 5 DEBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])C1(F)CCCC1 ZINC001161507031 798872554 /nfs/dbraw/zinc/87/25/54/798872554.db2.gz CWIVLGRHFOJHSB-UHFFFAOYSA-N 0 3 323.368 2.473 20 5 DEBDHN Cc1cc(N[C@H]2CCCC[C@@]23CNCCO3)ncc1[N+](=O)[O-] ZINC001163649624 799394466 /nfs/dbraw/zinc/39/44/66/799394466.db2.gz BAEQGPHQYXJFJO-DZGCQCFKSA-N 0 3 306.366 2.011 20 5 DEBDHN CN(C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)[C@H]1CCCN(C)C1 ZINC000933485710 800107122 /nfs/dbraw/zinc/10/71/22/800107122.db2.gz KFDSACHXMBUTFE-HRCADAONSA-N 0 3 317.389 2.251 20 5 DEBDHN NC(=O)[C@]12CCC[C@H]1CN(Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000933750981 800177973 /nfs/dbraw/zinc/17/79/73/800177973.db2.gz COXKXPVMYQBORA-NHYWBVRUSA-N 0 3 323.780 2.336 20 5 DEBDHN O=[N+]([O-])c1cc2c[nH]nc2cc1OC1CCN(C2CC2)CC1 ZINC001230601611 801434228 /nfs/dbraw/zinc/43/42/28/801434228.db2.gz OSRVTZSZWSZTEI-UHFFFAOYSA-N 0 3 302.334 2.477 20 5 DEBDHN O=[N+]([O-])c1ccc(-c2nc(-c3ccc4c(n3)CCNC4)no2)cc1 ZINC001215221772 801822444 /nfs/dbraw/zinc/82/24/44/801822444.db2.gz CCYWWGXFHSAFEQ-UHFFFAOYSA-N 0 3 323.312 2.353 20 5 DEBDHN O=[N+]([O-])c1cnc(OC2CCN(Cc3ccccc3)CC2)nc1 ZINC001226731508 803150990 /nfs/dbraw/zinc/15/09/90/803150990.db2.gz OIYQEFILJRMNEN-UHFFFAOYSA-N 0 3 314.345 2.428 20 5 DEBDHN CN1CCC(Oc2ccc(Br)nc2[N+](=O)[O-])CC1 ZINC001227257746 803223207 /nfs/dbraw/zinc/22/32/07/803223207.db2.gz KFNRVYFNOJWQBT-UHFFFAOYSA-N 0 3 316.155 2.225 20 5 DEBDHN CCN1CCC[C@@H](Oc2cccc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC001227896862 803292179 /nfs/dbraw/zinc/29/21/79/803292179.db2.gz KDRPPWDAUDTTAP-LLVKDONJSA-N 0 3 308.334 2.245 20 5 DEBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCN(C)[C@H]3C2)c1 ZINC001460228824 1058283743 /nfs/dbraw/zinc/28/37/43/1058283743.db2.gz KJTAUFQPDFSLJA-YGRLFVJLSA-N 0 3 321.402 2.093 20 5 DEBDHN CC(C)=CC(=O)N(C)CCCNCc1ccccc1[N+](=O)[O-] ZINC001569178188 1065344481 /nfs/dbraw/zinc/34/44/81/1065344481.db2.gz AJTMSHJFPAUYPR-UHFFFAOYSA-N 0 3 305.378 2.499 20 5 DEBDHN C[C@@H]([NH2+]Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C1(C)CC1 ZINC001575378343 1066283965 /nfs/dbraw/zinc/28/39/65/1066283965.db2.gz GQKUSSZQRNOEEK-SECBINFHSA-N 0 3 302.338 2.053 20 5 DEBDHN C[C@@H]([NH2+]Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C1(C)CC1 ZINC001575378343 1066283970 /nfs/dbraw/zinc/28/39/70/1066283970.db2.gz GQKUSSZQRNOEEK-SECBINFHSA-N 0 3 302.338 2.053 20 5 DEBDHN CC[C@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@@H]1C ZINC001577162342 1066776958 /nfs/dbraw/zinc/77/69/58/1066776958.db2.gz VTGQTOGXCBISSR-MNOVXSKESA-N 0 3 316.365 2.395 20 5 DEBDHN CC[C@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@@H]1C ZINC001577162342 1066776964 /nfs/dbraw/zinc/77/69/64/1066776964.db2.gz VTGQTOGXCBISSR-MNOVXSKESA-N 0 3 316.365 2.395 20 5 DEBDHN CC[C@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@@H]1C ZINC001577162342 1066776969 /nfs/dbraw/zinc/77/69/69/1066776969.db2.gz VTGQTOGXCBISSR-MNOVXSKESA-N 0 3 316.365 2.395 20 5 DEBDHN CC[C@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@@H]1C ZINC001577162342 1066776977 /nfs/dbraw/zinc/77/69/77/1066776977.db2.gz VTGQTOGXCBISSR-MNOVXSKESA-N 0 3 316.365 2.395 20 5 DEBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)NC[C@H]1C ZINC001521512759 1069247151 /nfs/dbraw/zinc/24/71/51/1069247151.db2.gz LMIBVKPXFJRKKX-VHSXEESVSA-N 0 3 309.391 2.139 20 5 DEBDHN COc1cc(CNc2cc(N(C)C)cc[nH+]2)c([N+](=O)[O-])cc1[O-] ZINC001560413955 1075139581 /nfs/dbraw/zinc/13/95/81/1075139581.db2.gz BZMGZIZOKWFENY-UHFFFAOYSA-N 0 3 318.333 2.382 20 5 DEBDHN C[C@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@H]1C ZINC001590273188 1076604899 /nfs/dbraw/zinc/60/48/99/1076604899.db2.gz WGSBOOGMXRBJBM-WDEREUQCSA-N 0 3 316.365 2.253 20 5 DEBDHN C[C@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@H]1C ZINC001590273188 1076604902 /nfs/dbraw/zinc/60/49/02/1076604902.db2.gz WGSBOOGMXRBJBM-WDEREUQCSA-N 0 3 316.365 2.253 20 5 DEBDHN CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590501881 1076641208 /nfs/dbraw/zinc/64/12/08/1076641208.db2.gz GSQOBTYGXWTOIX-GWCFXTLKSA-N 0 3 316.365 2.395 20 5 DEBDHN CC[C@H]1[C@@H](C)CC[N@H+]1Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590501881 1076641209 /nfs/dbraw/zinc/64/12/09/1076641209.db2.gz GSQOBTYGXWTOIX-GWCFXTLKSA-N 0 3 316.365 2.395 20 5 DEBDHN CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590501881 1076641212 /nfs/dbraw/zinc/64/12/12/1076641212.db2.gz GSQOBTYGXWTOIX-GWCFXTLKSA-N 0 3 316.365 2.395 20 5 DEBDHN CC[C@H]1[C@@H](C)CC[N@H+]1Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590501881 1076641215 /nfs/dbraw/zinc/64/12/15/1076641215.db2.gz GSQOBTYGXWTOIX-GWCFXTLKSA-N 0 3 316.365 2.395 20 5 DEBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC001593467398 1077005586 /nfs/dbraw/zinc/00/55/86/1077005586.db2.gz PTUZFYGOISUYNY-TXEJJXNPSA-N 0 3 314.349 2.007 20 5 DEBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC001593467398 1077005591 /nfs/dbraw/zinc/00/55/91/1077005591.db2.gz PTUZFYGOISUYNY-TXEJJXNPSA-N 0 3 314.349 2.007 20 5 DEBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC001593467398 1077005595 /nfs/dbraw/zinc/00/55/95/1077005595.db2.gz PTUZFYGOISUYNY-TXEJJXNPSA-N 0 3 314.349 2.007 20 5 DEBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC001593467398 1077005599 /nfs/dbraw/zinc/00/55/99/1077005599.db2.gz PTUZFYGOISUYNY-TXEJJXNPSA-N 0 3 314.349 2.007 20 5 DEBDHN C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001609154836 1077776384 /nfs/dbraw/zinc/77/63/84/1077776384.db2.gz SHXYHHUNLFASHV-PHIMTYICSA-N 0 3 316.365 2.253 20 5 DEBDHN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001609154836 1077776388 /nfs/dbraw/zinc/77/63/88/1077776388.db2.gz SHXYHHUNLFASHV-PHIMTYICSA-N 0 3 316.365 2.253 20 5 DEBDHN COc1cc(C[NH2+]C[C@]2(C)CCCC[C@H]2O)c([N+](=O)[O-])cc1[O-] ZINC001650660149 1079766616 /nfs/dbraw/zinc/76/66/16/1079766616.db2.gz YKACPLPSKIHCGE-CVEARBPZSA-N 0 3 324.377 2.340 20 5 DEBDHN COc1c([O-])ccc(C[NH2+]CC2(O)CCC(C)CC2)c1[N+](=O)[O-] ZINC001652888797 1079902945 /nfs/dbraw/zinc/90/29/45/1079902945.db2.gz PVCQQPVAZPGUOY-UHFFFAOYSA-N 0 3 324.377 2.340 20 5 DEBDHN COc1c(O)ccc(CNCC2(O)CCC(C)CC2)c1[N+](=O)[O-] ZINC001652888797 1079902952 /nfs/dbraw/zinc/90/29/52/1079902952.db2.gz PVCQQPVAZPGUOY-UHFFFAOYSA-N 0 3 324.377 2.340 20 5 DEBDHN CN1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000070231869 1079981846 /nfs/dbraw/zinc/98/18/46/1079981846.db2.gz ACGATHLQEDRHCV-LLVKDONJSA-N 0 3 311.769 2.462 20 5 DEBDHN CN(CCCNCc1csc([N+](=O)[O-])c1)C(=O)C(C)(F)F ZINC001268773756 1080980543 /nfs/dbraw/zinc/98/05/43/1080980543.db2.gz GCGDSMPYTPPSAP-UHFFFAOYSA-N 0 3 321.349 2.250 20 5 DEBDHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)CCC1CC1 ZINC001266663523 1082258907 /nfs/dbraw/zinc/25/89/07/1082258907.db2.gz ZFPONDLMKBXREY-UHFFFAOYSA-N 0 3 305.378 2.333 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCC[C@@H]1C(=O)OC ZINC001320709617 1140896980 /nfs/dbraw/zinc/89/69/80/1140896980.db2.gz WPLDBZYBBHUOIM-UONOGXRCSA-N 0 3 322.361 2.425 20 5 DEBDHN CC(C)(C)N1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001323477130 1141856934 /nfs/dbraw/zinc/85/69/34/1141856934.db2.gz RQORZVIXAPKYAU-HNNXBMFYSA-N 0 3 307.394 2.044 20 5 DEBDHN CN1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC001303988399 1147341285 /nfs/dbraw/zinc/34/12/85/1147341285.db2.gz IHZWAGWBSABCEP-RRFJBIMHSA-N 0 3 317.389 2.155 20 5 DEBDHN Cc1nn(C)c(C)c1[C@H](O)CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC001308550570 1147479671 /nfs/dbraw/zinc/47/96/71/1147479671.db2.gz PHMRMYNZHVPENZ-OAHLLOKOSA-N 0 3 318.377 2.077 20 5 DEBDHN CN(C[C@@H]1CCN(C)C1)c1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000278357035 214112001 /nfs/dbraw/zinc/11/20/01/214112001.db2.gz KAMLWCZJWNTXIU-SECBINFHSA-N 0 3 318.299 2.397 20 5 DEBDHN Cc1c([C@H](C)NCC2(N3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000278484801 214184968 /nfs/dbraw/zinc/18/49/68/214184968.db2.gz OYESNVOALNJUCC-AWEZNQCLSA-N 0 3 319.405 2.419 20 5 DEBDHN CN(CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000299279374 529916741 /nfs/dbraw/zinc/91/67/41/529916741.db2.gz QVIKMLKPZZTJMI-UHFFFAOYSA-N 0 3 303.318 2.165 20 5 DEBDHN Cc1c(CC(=O)N[C@@H](C)C2=CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000272734177 210139848 /nfs/dbraw/zinc/13/98/48/210139848.db2.gz LWCBKADVAUVHJC-ZDUSSCGKSA-N 0 3 317.389 2.212 20 5 DEBDHN C[C@@H](CN(C)C)NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000286916346 219224818 /nfs/dbraw/zinc/22/48/18/219224818.db2.gz KMHCYXRBSPTDSB-QMMMGPOBSA-N 0 3 300.746 2.320 20 5 DEBDHN COc1cc(CN[C@H]2CCC[C@H]2CCO)c([N+](=O)[O-])cc1OC ZINC000189974977 186257964 /nfs/dbraw/zinc/25/79/64/186257964.db2.gz BNAQNNXXJLHUQZ-AAEUAGOBSA-N 0 3 324.377 2.253 20 5 DEBDHN C[C@]1(CO)CCC[C@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331817639 234156071 /nfs/dbraw/zinc/15/60/71/234156071.db2.gz YSZWVXFQQXKCKK-UKRRQHHQSA-N 0 3 304.350 2.112 20 5 DEBDHN C[C@@H](C(=O)N[C@H]1CCN(CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000617724550 363234122 /nfs/dbraw/zinc/23/41/22/363234122.db2.gz QJKUUAQBYLQTND-DOMZBBRYSA-N 0 3 317.389 2.299 20 5 DEBDHN CN(C)[C@@H](CNc1c([N+](=O)[O-])ncn1C)c1cccc(F)c1 ZINC000029847992 354116515 /nfs/dbraw/zinc/11/65/15/354116515.db2.gz JXSFPKVVAVGGHB-LBPRGKRZSA-N 0 3 307.329 2.182 20 5 DEBDHN Cc1nn(C)c(N2CCN(CC3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000064129072 354662124 /nfs/dbraw/zinc/66/21/24/354662124.db2.gz CPYUTNZSBCIYDJ-UHFFFAOYSA-N 0 3 321.425 2.339 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCCCCC1 ZINC000076249881 355137162 /nfs/dbraw/zinc/13/71/62/355137162.db2.gz IBFROWBYNXUDHJ-UHFFFAOYSA-N 0 3 321.377 2.209 20 5 DEBDHN CCN(CC)[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)c1ccco1 ZINC000076269166 355138229 /nfs/dbraw/zinc/13/82/29/355138229.db2.gz WTEGZJQTYQIRBV-JTQLQIEISA-N 0 3 320.353 2.055 20 5 DEBDHN CCN1CCN([C@@H](C)CNc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000079905762 355335242 /nfs/dbraw/zinc/33/52/42/355335242.db2.gz LBYHHIQTOHSURH-AWEZNQCLSA-N 0 3 306.410 2.341 20 5 DEBDHN CCN1CCN([C@H](C)CNc2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000088700934 355518041 /nfs/dbraw/zinc/51/80/41/355518041.db2.gz QUBNRJMEEGXDSK-CQSZACIVSA-N 0 3 306.410 2.341 20 5 DEBDHN CCOC(=O)C[C@@H](C)N(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000182668830 356138034 /nfs/dbraw/zinc/13/80/34/356138034.db2.gz IQXNRIQDUICDBT-GFCCVEGCSA-N 0 3 310.350 2.247 20 5 DEBDHN C[C@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)N(C)C1CC1 ZINC000185179418 356203026 /nfs/dbraw/zinc/20/30/26/356203026.db2.gz BEHBTCAQDQNOKZ-MNOVXSKESA-N 0 3 323.368 2.436 20 5 DEBDHN O=C(c1ccc([N+](=O)[O-])cc1)N1CCNC2(CCCCC2)C1 ZINC000400741747 356725131 /nfs/dbraw/zinc/72/51/31/356725131.db2.gz DETLSDIEYHONIF-UHFFFAOYSA-N 0 3 303.362 2.343 20 5 DEBDHN CN1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000581989562 357280155 /nfs/dbraw/zinc/28/01/55/357280155.db2.gz WNORWWISCPIUCU-UHOFOFEASA-N 0 3 317.389 2.156 20 5 DEBDHN CNc1c(C(=O)NCCN2CCCC2(C)C)cccc1[N+](=O)[O-] ZINC000590889202 357636533 /nfs/dbraw/zinc/63/65/33/357636533.db2.gz DZXHEKAIEBRVFW-UHFFFAOYSA-N 0 3 320.393 2.241 20 5 DEBDHN C[C@@H]1C[C@@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)CS1 ZINC000591263778 357696754 /nfs/dbraw/zinc/69/67/54/357696754.db2.gz MATZXUPLLIURFA-MWLCHTKSSA-N 0 3 310.375 2.350 20 5 DEBDHN C[C@@H](NC(=O)[C@@H]1CNCCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000591667882 357749663 /nfs/dbraw/zinc/74/96/63/357749663.db2.gz DRWDFUZKGQBZRI-SKDRFNHKSA-N 0 3 313.304 2.017 20 5 DEBDHN CCCN(C(=O)c1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000592831357 357953369 /nfs/dbraw/zinc/95/33/69/357953369.db2.gz LJNATOFGLCXZGY-CQSZACIVSA-N 0 3 305.378 2.460 20 5 DEBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000367834261 291126716 /nfs/dbraw/zinc/12/67/16/291126716.db2.gz FMBFWQLHQROHGN-AAEUAGOBSA-N 0 3 321.352 2.433 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(C(=O)N(C)CCN2CCCCC2)c1 ZINC000593881850 358164023 /nfs/dbraw/zinc/16/40/23/358164023.db2.gz AAYPLVPZMKNVJO-UHFFFAOYSA-N 0 3 321.377 2.161 20 5 DEBDHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)c1csc([N+](=O)[O-])c1 ZINC000594204969 358223308 /nfs/dbraw/zinc/22/33/08/358223308.db2.gz YZOLRGMBMZQHRE-VXGBXAGGSA-N 0 3 309.391 2.403 20 5 DEBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594201711 358222320 /nfs/dbraw/zinc/22/23/20/358222320.db2.gz PXFBCANQVAQHBN-CVEARBPZSA-N 0 3 317.389 2.270 20 5 DEBDHN CC(C)Oc1nc(N(C)CCN(C)C2CC2)ccc1[N+](=O)[O-] ZINC000594574044 358296457 /nfs/dbraw/zinc/29/64/57/358296457.db2.gz XSHJSRQORVIMEU-UHFFFAOYSA-N 0 3 308.382 2.307 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H](O)C1CCOCC1 ZINC000595018712 358378672 /nfs/dbraw/zinc/37/86/72/358378672.db2.gz FEFIZVXBCVAFHK-XHDPSFHLSA-N 0 3 324.377 2.042 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC(C)(C)OCCO ZINC000595049885 358383030 /nfs/dbraw/zinc/38/30/30/358383030.db2.gz KEQSEVRXDASMLB-LLVKDONJSA-N 0 3 312.366 2.042 20 5 DEBDHN C[C@@H](CO)[C@H]1CCCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000595674529 358518667 /nfs/dbraw/zinc/51/86/67/358518667.db2.gz LDMYGXUISFWVNM-UONOGXRCSA-N 0 3 308.378 2.457 20 5 DEBDHN O=C1CCCN1C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000595831090 358558289 /nfs/dbraw/zinc/55/82/89/358558289.db2.gz ICCRCRVXDSHJLI-AWEZNQCLSA-N 0 3 303.362 2.039 20 5 DEBDHN Cc1cc(NCCN2CCN(C)C(C)(C)C2)c([N+](=O)[O-])s1 ZINC000596223311 358644374 /nfs/dbraw/zinc/64/43/74/358644374.db2.gz OZDKFTJQNOLWGH-UHFFFAOYSA-N 0 3 312.439 2.403 20 5 DEBDHN CCN1CCCN(c2nc3sccn3c2[N+](=O)[O-])[C@@H](C)C1 ZINC000596269579 358656507 /nfs/dbraw/zinc/65/65/07/358656507.db2.gz UJONKEQVHSPAJR-JTQLQIEISA-N 0 3 309.395 2.225 20 5 DEBDHN CC(COC(=O)c1occc1NC(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000496283474 283396220 /nfs/dbraw/zinc/39/62/20/283396220.db2.gz MCVAZELMYYFAPG-MRVPVSSYSA-N 0 3 314.294 2.449 20 5 DEBDHN CC[C@@H]1CN(C)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000597605487 358961102 /nfs/dbraw/zinc/96/11/02/358961102.db2.gz PJOKEPHKVMHKKW-GFCCVEGCSA-N 0 3 321.377 2.160 20 5 DEBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCN[C@H](C(C)C)C2)c1 ZINC000598578170 359247800 /nfs/dbraw/zinc/24/78/00/359247800.db2.gz ZMTFJRXBBPMLJG-ZDUSSCGKSA-N 0 3 323.418 2.387 20 5 DEBDHN CSc1cccc(C(=O)N2CCC[C@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000188120808 200196769 /nfs/dbraw/zinc/19/67/69/200196769.db2.gz HLSUVEIEMHPAKF-NSHDSACASA-N 0 3 323.418 2.483 20 5 DEBDHN CN(C)CC1(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC1 ZINC000281151799 216113539 /nfs/dbraw/zinc/11/35/39/216113539.db2.gz WASJCTSGIRXTOV-UHFFFAOYSA-N 0 3 311.769 2.462 20 5 DEBDHN CCc1ccc(C(=O)NC2(CN(C)C)CCC2)cc1[N+](=O)[O-] ZINC000281171518 216129548 /nfs/dbraw/zinc/12/95/48/216129548.db2.gz XSOZVNSHVFWLDJ-UHFFFAOYSA-N 0 3 305.378 2.371 20 5 DEBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNC[C@H]1C[C@@H](O)C1 ZINC000602726635 360520787 /nfs/dbraw/zinc/52/07/87/360520787.db2.gz WXSMXKLHHTYLLN-DKTWLAJQSA-N 0 3 304.268 2.474 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(C2CCOCC2)CC1 ZINC000602799610 360559993 /nfs/dbraw/zinc/55/99/93/360559993.db2.gz JUZYOWNKHXMZGI-UHFFFAOYSA-N 0 3 322.409 2.238 20 5 DEBDHN COC[C@H](NCCn1c(C)ncc1[N+](=O)[O-])c1ccccc1 ZINC000602805358 360564440 /nfs/dbraw/zinc/56/44/40/360564440.db2.gz KQMLZNSJEAMMKI-AWEZNQCLSA-N 0 3 304.350 2.077 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@H](C)c1cnn(C(C)C)c1 ZINC000602808206 360566098 /nfs/dbraw/zinc/56/60/98/360566098.db2.gz DIBDCXJJMGAJLA-LLVKDONJSA-N 0 3 306.370 2.228 20 5 DEBDHN O=[N+]([O-])c1ccccc1CN[C@H]([C@@H]1CCCO1)C1(CO)CCC1 ZINC000602891154 360612624 /nfs/dbraw/zinc/61/26/24/360612624.db2.gz LFTJKQCONBDQCX-JKSUJKDBSA-N 0 3 320.389 2.395 20 5 DEBDHN O=C(N[C@@H]1CCN(C2CC2)C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000609345028 361306009 /nfs/dbraw/zinc/30/60/09/361306009.db2.gz JJIZKEUGZVGVDT-SNVBAGLBSA-N 0 3 314.345 2.043 20 5 DEBDHN CC[C@H](CN1CCCC1)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000609833871 361343215 /nfs/dbraw/zinc/34/32/15/361343215.db2.gz ZCSGXLKWVSDEKT-CQSZACIVSA-N 0 3 305.378 2.128 20 5 DEBDHN C[C@H](NC(=O)N[C@H]1CCN(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000609640198 361331447 /nfs/dbraw/zinc/33/14/47/361331447.db2.gz AKMCKWORLQVPDG-AAEUAGOBSA-N 0 3 318.377 2.192 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCOC[C@H]1C ZINC000610990941 361504821 /nfs/dbraw/zinc/50/48/21/361504821.db2.gz VTJLTQOSQUFLLC-CYBMUJFWSA-N 0 3 321.377 2.343 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCOC[C@@H]1C ZINC000610990942 361505596 /nfs/dbraw/zinc/50/55/96/361505596.db2.gz VTJLTQOSQUFLLC-ZDUSSCGKSA-N 0 3 321.377 2.343 20 5 DEBDHN CCN1CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000611092434 361525622 /nfs/dbraw/zinc/52/56/22/361525622.db2.gz UIKQUESYFSYRFF-ZDUSSCGKSA-N 0 3 323.393 2.008 20 5 DEBDHN CN(c1ncnc2ccc([N+](=O)[O-])cc21)[C@@H]1CCCN(C)C1 ZINC000611705517 361661961 /nfs/dbraw/zinc/66/19/61/361661961.db2.gz FNBFVRAWKXFGPX-GFCCVEGCSA-N 0 3 301.350 2.068 20 5 DEBDHN CO[C@@H]1[C@@H](C)[C@@H](NCC(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC000271825580 209247241 /nfs/dbraw/zinc/24/72/41/209247241.db2.gz CZPKNKGZQLRHAS-COLVAYQJSA-N 0 3 321.377 2.182 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000275495001 212372968 /nfs/dbraw/zinc/37/29/68/212372968.db2.gz BWTJKPCUULOFFY-IUODEOHRSA-N 0 3 318.377 2.461 20 5 DEBDHN COc1c(CN[C@@H](C)Cc2ccccc2[N+](=O)[O-])c(C)nn1C ZINC000449245164 240247372 /nfs/dbraw/zinc/24/73/72/240247372.db2.gz YVNUGKKBDJWTOV-NSHDSACASA-N 0 3 318.377 2.366 20 5 DEBDHN O=[N+]([O-])c1ccc([C@@H]2CCCN(C[C@@H]3COCCO3)C2)cc1 ZINC000451549252 243097013 /nfs/dbraw/zinc/09/70/13/243097013.db2.gz PKLRSKBARHHRTA-GDBMZVCRSA-N 0 3 306.362 2.190 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000451667245 243281086 /nfs/dbraw/zinc/28/10/86/243281086.db2.gz UEESIFBYRWNPCH-ZNMIVQPWSA-N 0 3 321.421 2.351 20 5 DEBDHN Cc1ccc(CN2CC[C@H](CN3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000093664328 193286701 /nfs/dbraw/zinc/28/67/01/193286701.db2.gz CXQUGOFSKRFAGJ-MRXNPFEDSA-N 0 3 319.405 2.057 20 5 DEBDHN CC(C)c1ccc(CNC[C@]2(C)CCC(=O)N2)cc1[N+](=O)[O-] ZINC000453595158 245206006 /nfs/dbraw/zinc/20/60/06/245206006.db2.gz XWQNKTQRTGFGGW-INIZCTEOSA-N 0 3 305.378 2.477 20 5 DEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(C[C@@H]2CCOC2)CC1 ZINC000267380212 206024621 /nfs/dbraw/zinc/02/46/21/206024621.db2.gz GGBHYIBLMJBRGX-CABCVRRESA-N 0 3 319.405 2.310 20 5 DEBDHN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[C@H](N2CCCC2)C1 ZINC000171453511 284615290 /nfs/dbraw/zinc/61/52/90/284615290.db2.gz FNWPKRPECCXJIM-LBPRGKRZSA-N 0 3 307.325 2.044 20 5 DEBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000492160387 249009064 /nfs/dbraw/zinc/00/90/64/249009064.db2.gz FPUZIEKVCODCHH-CWOSQUEISA-N 0 3 315.373 2.207 20 5 DEBDHN CC1=CCN(CCNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000492558219 249089215 /nfs/dbraw/zinc/08/92/15/249089215.db2.gz FKQVNUKHIIGKKI-DAXSKMNVSA-N 0 3 315.373 2.376 20 5 DEBDHN CN(CCN(C)C1CC1)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000492651857 249108734 /nfs/dbraw/zinc/10/87/34/249108734.db2.gz SHQVTKPRTVRMEM-JXMROGBWSA-N 0 3 303.362 2.161 20 5 DEBDHN COC[C@H](N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000284849139 218205568 /nfs/dbraw/zinc/20/55/68/218205568.db2.gz ABZDSIZUSAGERH-XEGUGMAKSA-N 0 3 309.366 2.022 20 5 DEBDHN C[C@H](NCCOc1ncccc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285014204 218256591 /nfs/dbraw/zinc/25/65/91/218256591.db2.gz HESCISVEFAVVJD-JTQLQIEISA-N 0 3 320.324 2.441 20 5 DEBDHN CCC[C@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000272901128 210288782 /nfs/dbraw/zinc/28/87/82/210288782.db2.gz DCRGZOQXMNMCIV-NSHDSACASA-N 0 3 300.380 2.147 20 5 DEBDHN C[C@H]1C[C@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCN1C ZINC000157695571 197208925 /nfs/dbraw/zinc/20/89/25/197208925.db2.gz FLTVAROYGCKKAS-GXSJLCMTSA-N 0 3 311.769 2.461 20 5 DEBDHN C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)N1CCCC1 ZINC000542716094 285245606 /nfs/dbraw/zinc/24/56/06/285245606.db2.gz ABGXOFUMXRNUSW-JTQLQIEISA-N 0 3 310.329 2.340 20 5 DEBDHN CCOC(=O)c1cc(NCCN2CCCC2)ccc1[N+](=O)[O-] ZINC000271611300 209058243 /nfs/dbraw/zinc/05/82/43/209058243.db2.gz KJJQQKMXTTUOTP-UHFFFAOYSA-N 0 3 307.350 2.279 20 5 DEBDHN COC(=O)COC[C@H](C)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000295894630 533549835 /nfs/dbraw/zinc/54/98/35/533549835.db2.gz YQJCQZPEOXXBFT-RYUDHWBXSA-N 0 3 310.350 2.132 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N(C)CC1CCN(C)CC1 ZINC000194593279 132539666 /nfs/dbraw/zinc/53/96/66/132539666.db2.gz WVRSRRLUCGBTIP-UHFFFAOYSA-N 0 3 305.378 2.317 20 5 DEBDHN COC(=O)COc1ccc(CN(C)CCC2CC2)cc1[N+](=O)[O-] ZINC000355735121 133045010 /nfs/dbraw/zinc/04/50/10/133045010.db2.gz VDZSVCCQPSTDAX-UHFFFAOYSA-N 0 3 322.361 2.379 20 5 DEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC(C3CC3)CC2)c1 ZINC000368335615 133269589 /nfs/dbraw/zinc/26/95/89/133269589.db2.gz ZFJJWNJGJNCRMT-INIZCTEOSA-N 0 3 320.389 2.457 20 5 DEBDHN CS[C@@H]1CN(c2nc(C)ccc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000547708059 285622739 /nfs/dbraw/zinc/62/27/39/285622739.db2.gz UQLHHBSVEATFLK-UONOGXRCSA-N 0 3 322.434 2.314 20 5 DEBDHN Cc1ccc(CCNC[C@H](O)COc2cccc([N+](=O)[O-])c2)o1 ZINC000550174972 285866978 /nfs/dbraw/zinc/86/69/78/285866978.db2.gz YLAKCCWQSGKHLG-AWEZNQCLSA-N 0 3 320.345 2.068 20 5 DEBDHN Cc1c(CNC(=O)[C@@H]2NCCCC2(C)C)cccc1[N+](=O)[O-] ZINC000262436785 145284379 /nfs/dbraw/zinc/28/43/79/145284379.db2.gz GKOBHKZDKVOTQP-AWEZNQCLSA-N 0 3 305.378 2.298 20 5 DEBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H](N)Cc1ccccc1 ZINC000320586397 145375024 /nfs/dbraw/zinc/37/50/24/145375024.db2.gz AEJMKWJKHAAKMH-HNNXBMFYSA-N 0 3 313.357 2.123 20 5 DEBDHN C[C@H](C(=O)NCC1=CCN(C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000348016976 146212976 /nfs/dbraw/zinc/21/29/76/146212976.db2.gz MWTXMEXQJGFQCO-NSHDSACASA-N 0 3 321.352 2.216 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)[C@H]1CCCOC1 ZINC000348140943 146222918 /nfs/dbraw/zinc/22/29/18/146222918.db2.gz CNEYZYMKMPOSGW-OLZOCXBDSA-N 0 3 321.377 2.246 20 5 DEBDHN COc1ccc(OCCN2CCN(C)[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000357064899 147032895 /nfs/dbraw/zinc/03/28/95/147032895.db2.gz JTTIXMJVTDEVKV-STQMWFEESA-N 0 3 323.393 2.007 20 5 DEBDHN COCCCCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665348 401711780 /nfs/dbraw/zinc/71/17/80/401711780.db2.gz HCHQDGQPRGOTQK-CYBMUJFWSA-N 0 3 308.382 2.293 20 5 DEBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000115435383 401827564 /nfs/dbraw/zinc/82/75/64/401827564.db2.gz HGWWZOKURUGXHM-LLVKDONJSA-N 0 3 309.341 2.148 20 5 DEBDHN C[C@@H](CN1CCCCC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000027770210 401847525 /nfs/dbraw/zinc/84/75/25/401847525.db2.gz GZNPVWMEXIOCGG-ZDUSSCGKSA-N 0 3 305.378 2.128 20 5 DEBDHN CN(C)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000078650976 401860554 /nfs/dbraw/zinc/86/05/54/401860554.db2.gz PXMQGALPGNAHIR-LLVKDONJSA-N 0 3 311.769 2.414 20 5 DEBDHN O=C(/C=C/c1ccccc1[N+](=O)[O-])NC1CCN(C2CC2)CC1 ZINC000078718097 401863109 /nfs/dbraw/zinc/86/31/09/401863109.db2.gz QWPHVAPQEVSCAH-VMPITWQZSA-N 0 3 315.373 2.351 20 5 DEBDHN C[C@H](CN1CCCCC1)NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000079670535 401879110 /nfs/dbraw/zinc/87/91/10/401879110.db2.gz YZFLLCUVHTZURY-CYBMUJFWSA-N 0 3 320.393 2.268 20 5 DEBDHN O=[N+]([O-])c1cc(CNCCCOC[C@H]2CCCO2)cs1 ZINC000037562633 401914839 /nfs/dbraw/zinc/91/48/39/401914839.db2.gz QSNVMTFJJGCEHX-GFCCVEGCSA-N 0 3 300.380 2.332 20 5 DEBDHN CC[C@H](NCCCS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000038047336 401921608 /nfs/dbraw/zinc/92/16/08/401921608.db2.gz ORNQCDGGHDBCPN-ZDUSSCGKSA-N 0 3 300.380 2.070 20 5 DEBDHN CSC[C@@](C)(O)CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000152295022 402087491 /nfs/dbraw/zinc/08/74/91/402087491.db2.gz RXGLTYANXHQTBY-LBPRGKRZSA-N 0 3 304.799 2.452 20 5 DEBDHN COc1cc(C(=O)N(C)CC2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000103451022 402189017 /nfs/dbraw/zinc/18/90/17/402189017.db2.gz VNMOHBZAMCJPKK-UHFFFAOYSA-N 0 3 321.377 2.017 20 5 DEBDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000124698167 402192222 /nfs/dbraw/zinc/19/22/22/402192222.db2.gz FTNXCVNZBHHRMM-ABAIWWIYSA-N 0 3 323.368 2.121 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](C)CN1CCN(C)CC1 ZINC000155004679 402241157 /nfs/dbraw/zinc/24/11/57/402241157.db2.gz GASFAZRFTOPSFV-CABCVRRESA-N 0 3 320.437 2.190 20 5 DEBDHN CCOC(=O)N1CC[C@@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000185039811 402319088 /nfs/dbraw/zinc/31/90/88/402319088.db2.gz YKNRABOXCWJJGO-WCQYABFASA-N 0 3 307.350 2.476 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000177155960 402376589 /nfs/dbraw/zinc/37/65/89/402376589.db2.gz WAVLJMAYGKQXFR-NEPJUHHUSA-N 0 3 303.362 2.258 20 5 DEBDHN NC(=O)c1ccc(CN2C[C@H]3CCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000177542888 402414325 /nfs/dbraw/zinc/41/43/25/402414325.db2.gz IPYYXTUNLJSDQN-CHWSQXEVSA-N 0 3 303.362 2.316 20 5 DEBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000272149206 402903354 /nfs/dbraw/zinc/90/33/54/402903354.db2.gz FWWQMKYYFBKVIM-JTQLQIEISA-N 0 3 311.407 2.459 20 5 DEBDHN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000266744476 402987828 /nfs/dbraw/zinc/98/78/28/402987828.db2.gz RBLXUFFSJQPRIM-CYBMUJFWSA-N 0 3 321.377 2.424 20 5 DEBDHN C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)N(C)C1CC1 ZINC000273373230 402998900 /nfs/dbraw/zinc/99/89/00/402998900.db2.gz HDLANJPGLSCZAE-SECBINFHSA-N 0 3 310.329 2.338 20 5 DEBDHN C[C@@H]1CCC[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273487897 403009092 /nfs/dbraw/zinc/00/90/92/403009092.db2.gz WCGJMERMZGDVHE-RISCZKNCSA-N 0 3 312.391 2.147 20 5 DEBDHN COc1cccc([C@@H](CNc2ncc([N+](=O)[O-])cn2)N(C)C)c1 ZINC000273161353 402978450 /nfs/dbraw/zinc/97/84/50/402978450.db2.gz KLJHDGMZRVMLPK-CQSZACIVSA-N 0 3 317.349 2.108 20 5 DEBDHN CN(CCN(C)C1CC1)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000274593228 403070297 /nfs/dbraw/zinc/07/02/97/403070297.db2.gz RDOBOSDGUIDHRZ-UHFFFAOYSA-N 0 3 311.769 2.414 20 5 DEBDHN COC(=O)[C@]1(C)CN(CCOc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000281935225 403106228 /nfs/dbraw/zinc/10/62/28/403106228.db2.gz BDSOPAYILSKBFU-MLGOLLRUSA-N 0 3 322.361 2.105 20 5 DEBDHN O=[N+]([O-])c1cccc([C@H](O)CN(CCO)Cc2ccccc2)c1 ZINC000269625720 403151394 /nfs/dbraw/zinc/15/13/94/403151394.db2.gz CNWQWLIHCFEGEW-QGZVFWFLSA-N 0 3 316.357 2.123 20 5 DEBDHN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](CO)c1ccccc1 ZINC000269645923 403153412 /nfs/dbraw/zinc/15/34/12/403153412.db2.gz KYPICNGJOCDJER-IRXDYDNUSA-N 0 3 316.357 2.294 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NCCN(CC)C2CC2)c1 ZINC000283649001 403212308 /nfs/dbraw/zinc/21/23/08/403212308.db2.gz CVHKYBJBDPDVLL-UHFFFAOYSA-N 0 3 321.377 2.208 20 5 DEBDHN CS[C@H]1CN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000270433642 403191454 /nfs/dbraw/zinc/19/14/54/403191454.db2.gz GLGLZIYGOIMJBG-KGLIPLIRSA-N 0 3 323.418 2.021 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NCCN1CCCCCC1 ZINC000277646235 403240726 /nfs/dbraw/zinc/24/07/26/403240726.db2.gz UPCNIEKMTWDQIU-UHFFFAOYSA-N 0 3 321.377 2.209 20 5 DEBDHN COc1ccc(OCCN2CCN(C)CC2(C)C)c([N+](=O)[O-])c1 ZINC000271073614 403260787 /nfs/dbraw/zinc/26/07/87/403260787.db2.gz WFRBHCHVVYRHIR-UHFFFAOYSA-N 0 3 323.393 2.008 20 5 DEBDHN COc1ccc(OCCN2C[C@@H](C)N(C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000330595942 403285017 /nfs/dbraw/zinc/28/50/17/403285017.db2.gz RGQQMWJOMOHYSW-CHWSQXEVSA-N 0 3 323.393 2.007 20 5 DEBDHN COc1ccc(OCCN2C[C@@H](C)N(C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000339620927 403394796 /nfs/dbraw/zinc/39/47/96/403394796.db2.gz YJHOMNYRGWLYDL-CHWSQXEVSA-N 0 3 323.393 2.007 20 5 DEBDHN Cc1n[nH]cc1CN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000331635484 403436840 /nfs/dbraw/zinc/43/68/40/403436840.db2.gz OTJZXIXHQXYPTO-OLZOCXBDSA-N 0 3 304.354 2.096 20 5 DEBDHN CN(C)CCNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000298707011 403445122 /nfs/dbraw/zinc/44/51/22/403445122.db2.gz YBMNIIJLBSOIOU-UHFFFAOYSA-N 0 3 322.243 2.495 20 5 DEBDHN CN1CC[C@H]2CCN(c3ncnc4sc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000286101786 403450063 /nfs/dbraw/zinc/45/00/63/403450063.db2.gz CYVJVFZOKYQNLN-ONGXEEELSA-N 0 3 319.390 2.130 20 5 DEBDHN CN(C)[C@@H]1CCCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000339798067 403454543 /nfs/dbraw/zinc/45/45/43/403454543.db2.gz NHYRBNPRJQBVCV-CYBMUJFWSA-N 0 3 319.405 2.425 20 5 DEBDHN CC[C@@H](NC(=O)[C@H](N)CC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000345752878 403469178 /nfs/dbraw/zinc/46/91/78/403469178.db2.gz UBQYWORITKAJFX-GHMZBOCLSA-N 0 3 301.293 2.145 20 5 DEBDHN C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[n-]1)c1ccsc1 ZINC000298883017 403479591 /nfs/dbraw/zinc/47/95/91/403479591.db2.gz LAHYKBRLZPKJTR-NSHDSACASA-N 0 3 308.363 2.017 20 5 DEBDHN CN1CCC[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C2)C1 ZINC000293860577 403584144 /nfs/dbraw/zinc/58/41/44/403584144.db2.gz DRXMGNWLJOTHRZ-INIZCTEOSA-N 0 3 321.352 2.292 20 5 DEBDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000340390549 403601437 /nfs/dbraw/zinc/60/14/37/403601437.db2.gz XYLKGMKFTLAHEK-CHWSQXEVSA-N 0 3 305.378 2.126 20 5 DEBDHN Cc1c(CN2CC[C@@H](C(=O)N3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000287246141 403559284 /nfs/dbraw/zinc/55/92/84/403559284.db2.gz GOROXORQMWQYQB-OAHLLOKOSA-N 0 3 317.389 2.348 20 5 DEBDHN CCCN1CCC[C@H]1CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000343563292 403640488 /nfs/dbraw/zinc/64/04/88/403640488.db2.gz GTBTXXSVXZTJKS-ZDUSSCGKSA-N 0 3 321.377 2.208 20 5 DEBDHN CCCN1CCC[C@@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000343626102 403667521 /nfs/dbraw/zinc/66/75/21/403667521.db2.gz XVXNEMQKNUUQDF-CYBMUJFWSA-N 0 3 309.341 2.338 20 5 DEBDHN C[C@H]1C[C@@H](O)CN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000340936489 403705533 /nfs/dbraw/zinc/70/55/33/403705533.db2.gz YSXHDJCEBQDEPT-SMDDNHRTSA-N 0 3 317.345 2.247 20 5 DEBDHN O=[N+]([O-])c1ccc2c(ccnc2NCCN2CCCOCC2)c1 ZINC000295095122 403757830 /nfs/dbraw/zinc/75/78/30/403757830.db2.gz SQHNJLKIOBVWPF-UHFFFAOYSA-N 0 3 316.361 2.277 20 5 DEBDHN Cc1ccc(C(=O)N2CCN(C3CC3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000295373660 403890091 /nfs/dbraw/zinc/89/00/91/403890091.db2.gz OYDPPVMIIROSGM-GFCCVEGCSA-N 0 3 317.389 2.460 20 5 DEBDHN C[C@@H]1[C@@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CCCN1C ZINC000344235435 403998211 /nfs/dbraw/zinc/99/82/11/403998211.db2.gz LFEQYJMWFRRWOT-OCCSQVGLSA-N 0 3 320.393 2.219 20 5 DEBDHN Cc1nc(N2CCN(C3CCC3)C[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000295742452 404009687 /nfs/dbraw/zinc/00/96/87/404009687.db2.gz YMCRAMHONCSIFM-NSHDSACASA-N 0 3 305.382 2.004 20 5 DEBDHN CCOC1CC(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000351877462 403979965 /nfs/dbraw/zinc/97/99/65/403979965.db2.gz PNMMAMZVVHCGQK-JVWICGRDSA-N 0 3 320.393 2.291 20 5 DEBDHN CCS(=O)(=O)CCCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000341596466 404059272 /nfs/dbraw/zinc/05/92/72/404059272.db2.gz WXXKRGUJYJNKFS-LLVKDONJSA-N 0 3 300.380 2.070 20 5 DEBDHN COC1([C@@H](C)NCC(=O)Nc2ccccc2[N+](=O)[O-])CCC1 ZINC000412026533 404063025 /nfs/dbraw/zinc/06/30/25/404063025.db2.gz SSHOVOZVAXALCV-LLVKDONJSA-N 0 3 307.350 2.081 20 5 DEBDHN COC(=O)[C@@]1(C)CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000412110597 404141405 /nfs/dbraw/zinc/14/14/05/404141405.db2.gz VARSLJPXLWAGIR-INIZCTEOSA-N 0 3 322.361 2.249 20 5 DEBDHN CN(CCN(C)C1CC1)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412256321 404211996 /nfs/dbraw/zinc/21/19/96/404211996.db2.gz LVMFXAYPNAYICR-JKSUJKDBSA-N 0 3 317.389 2.251 20 5 DEBDHN Cc1nc(N[C@H]2CCN(Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000296494904 404274937 /nfs/dbraw/zinc/27/49/37/404274937.db2.gz LGYJRQAXGHPUDG-AWEZNQCLSA-N 0 3 313.361 2.380 20 5 DEBDHN C[C@H](NC1CC1)C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000296565672 404309729 /nfs/dbraw/zinc/30/97/29/404309729.db2.gz VPHVLNODODZGOG-VIFPVBQESA-N 0 3 311.769 2.347 20 5 DEBDHN CC(C)(CO)[C@H](NCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000352365987 404318245 /nfs/dbraw/zinc/31/82/45/404318245.db2.gz ZYIRNJZBHDTHBC-OAHLLOKOSA-N 0 3 318.377 2.141 20 5 DEBDHN Cc1cccc(C(=O)N2CC[C@@]3(C2)CCCN(C)C3)c1[N+](=O)[O-] ZINC000356284606 404425204 /nfs/dbraw/zinc/42/52/04/404425204.db2.gz PQNHREBLAGYPDO-KRWDZBQOSA-N 0 3 317.389 2.461 20 5 DEBDHN C[C@H]1[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCCN1C ZINC000345006821 404496095 /nfs/dbraw/zinc/49/60/95/404496095.db2.gz LLZFPWZQEXKSAI-CMPLNLGQSA-N 0 3 316.361 2.289 20 5 DEBDHN CCCCNC(=O)CCN(C)CCc1ccccc1[N+](=O)[O-] ZINC000352544229 404447705 /nfs/dbraw/zinc/44/77/05/404447705.db2.gz PEGGRWFFTOHAFO-UHFFFAOYSA-N 0 3 307.394 2.376 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000344923003 404448961 /nfs/dbraw/zinc/44/89/61/404448961.db2.gz WDIJATCHTUDMMJ-JQWIXIFHSA-N 0 3 322.365 2.208 20 5 DEBDHN O=C(CN[C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])NC1CC1 ZINC000297466533 404558266 /nfs/dbraw/zinc/55/82/66/404558266.db2.gz QSQRADFISIUFBO-SWLSCSKDSA-N 0 3 317.389 2.174 20 5 DEBDHN Cc1c(CNC(=O)C2CCN(C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000338882580 404600764 /nfs/dbraw/zinc/60/07/64/404600764.db2.gz BWBJQVUYOOEENY-UHFFFAOYSA-N 0 3 317.389 2.394 20 5 DEBDHN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000374075715 404687072 /nfs/dbraw/zinc/68/70/72/404687072.db2.gz WDEHFTLXGXSODM-OSFYFWSMSA-N 0 3 322.409 2.090 20 5 DEBDHN CCN1C[C@@H](C)N(CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000330580522 404692540 /nfs/dbraw/zinc/69/25/40/404692540.db2.gz QEMSBFGSKZDEED-ZIAGYGMSSA-N 0 3 307.394 2.388 20 5 DEBDHN CCN1C[C@H](C)N(CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000330580520 404692823 /nfs/dbraw/zinc/69/28/23/404692823.db2.gz QEMSBFGSKZDEED-KGLIPLIRSA-N 0 3 307.394 2.388 20 5 DEBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CNCCC2(F)F)c(Cl)c1 ZINC000414996486 404784095 /nfs/dbraw/zinc/78/40/95/404784095.db2.gz GSGDTLHSBUGDJQ-LLVKDONJSA-N 0 3 305.712 2.335 20 5 DEBDHN C[C@@]1(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CCCCN1 ZINC000423837957 404882990 /nfs/dbraw/zinc/88/29/90/404882990.db2.gz HAXRQDOAHNINLS-AWEZNQCLSA-N 0 3 311.769 2.397 20 5 DEBDHN Cc1cc(C(=O)Nc2cnc3c(c2)CNCC3)cc([N+](=O)[O-])c1 ZINC000361047974 404893937 /nfs/dbraw/zinc/89/39/37/404893937.db2.gz HJLYHAYIMKCIHD-UHFFFAOYSA-N 0 3 312.329 2.196 20 5 DEBDHN COc1ccc(CNC[C@H]2COC3(CCCC3)O2)cc1[N+](=O)[O-] ZINC000378401922 404953486 /nfs/dbraw/zinc/95/34/86/404953486.db2.gz KZSPLBLCMNMCAF-ZDUSSCGKSA-N 0 3 322.361 2.379 20 5 DEBDHN COC(=O)COc1ccc(CN[C@@H]2CC2(C)C)cc1[N+](=O)[O-] ZINC000353733785 404945899 /nfs/dbraw/zinc/94/58/99/404945899.db2.gz BCXWDFQWYMGROX-CYBMUJFWSA-N 0 3 308.334 2.035 20 5 DEBDHN Cc1c(CNC[C@@H](O)COc2ccccc2)cccc1[N+](=O)[O-] ZINC000391214314 405048812 /nfs/dbraw/zinc/04/88/12/405048812.db2.gz RJPTWOURXDCHKR-OAHLLOKOSA-N 0 3 316.357 2.433 20 5 DEBDHN Cc1nnsc1CN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000426332786 405351464 /nfs/dbraw/zinc/35/14/64/405351464.db2.gz FFWWCQSXIAPZMJ-QWRGUYRKSA-N 0 3 322.394 2.225 20 5 DEBDHN COC1(CO)CCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000447071178 405401077 /nfs/dbraw/zinc/40/10/77/405401077.db2.gz WJWBWPMLMJUNME-UVTDQMKNSA-N 0 3 320.389 2.471 20 5 DEBDHN CCN1CCC(NC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000454616797 405372597 /nfs/dbraw/zinc/37/25/97/405372597.db2.gz KKJNKNJYZWVWQC-LBPRGKRZSA-N 0 3 320.393 2.439 20 5 DEBDHN COc1nccc(CN[C@H](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000449373124 405529955 /nfs/dbraw/zinc/52/99/55/405529955.db2.gz OFXOXECLCFMPRJ-LLVKDONJSA-N 0 3 302.334 2.114 20 5 DEBDHN CN(C[C@@H]1CCCN1C)C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000421714936 405610623 /nfs/dbraw/zinc/61/06/23/405610623.db2.gz WPBGCFOVNXUYIE-LBPRGKRZSA-N 0 3 323.418 2.240 20 5 DEBDHN CCOC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000449580642 405623845 /nfs/dbraw/zinc/62/38/45/405623845.db2.gz SLDRDTAKZTVKKB-OLZOCXBDSA-N 0 3 322.361 2.425 20 5 DEBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCCN1CCSCC1 ZINC000580095439 405586321 /nfs/dbraw/zinc/58/63/21/405586321.db2.gz UBMBYUPCFFUKPX-CQSZACIVSA-N 0 3 307.419 2.221 20 5 DEBDHN CC[C@H](O)[C@H](CC)NCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000449638321 405651643 /nfs/dbraw/zinc/65/16/43/405651643.db2.gz KDRGMQDONGFOPR-AAEUAGOBSA-N 0 3 312.366 2.251 20 5 DEBDHN CC[C@@H]1CN(CCN[C@@H](C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000494457064 405704062 /nfs/dbraw/zinc/70/40/62/405704062.db2.gz QOWUWPUQWYMXQC-XJKSGUPXSA-N 0 3 307.394 2.356 20 5 DEBDHN CC(C)Oc1nc(N2CC[C@@H](N3CC=CC3)C2)ccc1[N+](=O)[O-] ZINC000584182989 405845553 /nfs/dbraw/zinc/84/55/53/405845553.db2.gz RICCGUDIRIFRAD-CYBMUJFWSA-N 0 3 318.377 2.228 20 5 DEBDHN CC(=O)c1cc(NC[C@@H]2CCCN2CCCO)ccc1[N+](=O)[O-] ZINC000450590343 405967737 /nfs/dbraw/zinc/96/77/37/405967737.db2.gz DMEIXTWHPZAQHG-AWEZNQCLSA-N 0 3 321.377 2.056 20 5 DEBDHN CC(C)[C@H](N)c1cn(Cc2c(F)cc([N+](=O)[O-])cc2F)nn1 ZINC000603249588 405904324 /nfs/dbraw/zinc/90/43/24/405904324.db2.gz ZFKBWZZCKMGDIK-ZDUSSCGKSA-N 0 3 311.292 2.169 20 5 DEBDHN CC1(C)C[C@H](NC[C@H](O)[C@H]2CCOC2)c2cc([N+](=O)[O-])ccc21 ZINC000433282601 405910941 /nfs/dbraw/zinc/91/09/41/405910941.db2.gz MWGQOSRYTSYKBZ-UVBJJODRSA-N 0 3 320.389 2.304 20 5 DEBDHN CCOc1cccc(NC[C@@H]2CCCN2CCCO)c1[N+](=O)[O-] ZINC000450595779 405971830 /nfs/dbraw/zinc/97/18/30/405971830.db2.gz MMHXIQSJWKUJHS-ZDUSSCGKSA-N 0 3 323.393 2.252 20 5 DEBDHN CN(CCN1CCCC1)C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000491449436 406595014 /nfs/dbraw/zinc/59/50/14/406595014.db2.gz PDNYTJJTPYFKHA-ALCCZGGFSA-N 0 3 321.352 2.301 20 5 DEBDHN CN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C2CC2)C1 ZINC000491686871 406669527 /nfs/dbraw/zinc/66/95/27/406669527.db2.gz SZLAPZQJKWBZNM-VCELZJIISA-N 0 3 315.373 2.303 20 5 DEBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)/C=C\CN(C)C ZINC000491872675 406757213 /nfs/dbraw/zinc/75/72/13/406757213.db2.gz SBDKEDBOTZYBRP-WAYWQWQTSA-N 0 3 305.378 2.450 20 5 DEBDHN C[C@H]1CCN(C)CCN1C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000491890419 406766302 /nfs/dbraw/zinc/76/63/02/406766302.db2.gz XRGFMRYJWVDFLO-RNZFLTOJSA-N 0 3 321.352 2.300 20 5 DEBDHN CCCN(CCN(C)C)C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000491910030 406773905 /nfs/dbraw/zinc/77/39/05/406773905.db2.gz CLTQZLYACXRJPD-KTKRTIGZSA-N 0 3 305.378 2.408 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1CNC[C@@H](O)CC(F)(F)F ZINC000572030247 292590137 /nfs/dbraw/zinc/59/01/37/292590137.db2.gz JXXZSEOSBPOMPV-JTQLQIEISA-N 0 3 308.256 2.006 20 5 DEBDHN CN(C[C@H](O)COc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000290802579 221934401 /nfs/dbraw/zinc/93/44/01/221934401.db2.gz PYRGNSLURAXODM-JTQLQIEISA-N 0 3 300.742 2.082 20 5 DEBDHN O=[N+]([O-])c1cccc(-c2cnn(CCN3CCCOCC3)c2)c1 ZINC000413001494 228262509 /nfs/dbraw/zinc/26/25/09/228262509.db2.gz PUFZGAUMSCXSRG-UHFFFAOYSA-N 0 3 316.361 2.181 20 5 DEBDHN CO[C@@H]([C@H](C)N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000414193748 228443765 /nfs/dbraw/zinc/44/37/65/228443765.db2.gz URQHAOMBBSLUOC-RWSFTLGLSA-N 0 3 321.377 2.325 20 5 DEBDHN CC(C)Oc1nc(N[C@H]2CCN(CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000594550149 425012703 /nfs/dbraw/zinc/01/27/03/425012703.db2.gz KAESRBUQLHQQIX-ZDUSSCGKSA-N 0 3 320.393 2.673 20 5 DEBDHN C[C@H](CNc1nc2ccccc2cc1[N+](=O)[O-])N(C)C1CC1 ZINC000352356980 425044738 /nfs/dbraw/zinc/04/47/38/425044738.db2.gz PDNPZSSIGUWDEI-LLVKDONJSA-N 0 3 300.362 3.038 20 5 DEBDHN CCOC(=O)N1CC[C@@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000496596113 269233795 /nfs/dbraw/zinc/23/37/95/269233795.db2.gz OATZSYMWIZYXDG-RISCZKNCSA-N 0 3 319.361 2.403 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCN(C)C1 ZINC000517354251 269383795 /nfs/dbraw/zinc/38/37/95/269383795.db2.gz RQONAPGXIXZWDL-ZDUSSCGKSA-N 0 3 305.378 2.283 20 5 DEBDHN CCS(=O)(=O)CCCN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000519528081 269417199 /nfs/dbraw/zinc/41/71/99/269417199.db2.gz MCTQNVCYQSRKOO-LBPRGKRZSA-N 0 3 314.407 2.379 20 5 DEBDHN CC(C)CN1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000302866724 273513392 /nfs/dbraw/zinc/51/33/92/273513392.db2.gz YVZJWWNQRROCTA-UHFFFAOYSA-N 0 3 304.394 2.341 20 5 DEBDHN CS[C@H]1CN(c2ccc([N+](=O)[O-])cn2)C[C@@H]1N1CCCC1 ZINC000274711425 274186792 /nfs/dbraw/zinc/18/67/92/274186792.db2.gz XZXRKDNSMPAJJY-STQMWFEESA-N 0 3 308.407 2.006 20 5 DEBDHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000287420290 274438492 /nfs/dbraw/zinc/43/84/92/274438492.db2.gz ZYBVKMVGEYFYKX-IUODEOHRSA-N 0 3 303.362 2.294 20 5 DEBDHN CCC[C@H]1CN(c2ccc(N)cc2[N+](=O)[O-])CCN1CCOC ZINC000286083172 276049750 /nfs/dbraw/zinc/04/97/50/276049750.db2.gz BSNJJVIABIMCNQ-AWEZNQCLSA-N 0 3 322.409 2.114 20 5 DEBDHN CN(C)[C@@]1(CNc2c3c(ccc2[N+](=O)[O-])NCC3)CCSC1 ZINC000436387314 276848879 /nfs/dbraw/zinc/84/88/79/276848879.db2.gz KELNZFFTFRCLBW-OAHLLOKOSA-N 0 3 322.434 2.412 20 5 DEBDHN CNC(=O)C(C)(C)CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193067468 277222664 /nfs/dbraw/zinc/22/26/64/277222664.db2.gz VJCIOHFVBDYQHI-AWEZNQCLSA-N 0 3 305.378 2.334 20 5 DEBDHN CNC(=O)[C@@H]1CCC[C@@H]1N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447581443 277243770 /nfs/dbraw/zinc/24/37/70/277243770.db2.gz UNGFJYVTDJCMPX-KBMXLJTQSA-N 0 3 317.389 2.477 20 5 DEBDHN COC[C@H](O)CCN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279113742 277601065 /nfs/dbraw/zinc/60/10/65/277601065.db2.gz PKJCLOUQNBTUFO-IUODEOHRSA-N 0 3 308.378 2.304 20 5 DEBDHN CC(C)c1ccc(CNC[C@@H](CO)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000360766395 278037524 /nfs/dbraw/zinc/03/75/24/278037524.db2.gz RWELLTWRDYJSDH-GJZGRUSLSA-N 0 3 322.405 2.453 20 5 DEBDHN C[C@H](N[C@@H]1CC(=O)N2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000337884218 278269514 /nfs/dbraw/zinc/26/95/14/278269514.db2.gz WRRRQBWHYOHHPO-GLQYFDAESA-N 0 3 303.362 2.399 20 5 DEBDHN C[C@H](CC(N)=O)NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000432366709 279249981 /nfs/dbraw/zinc/24/99/81/279249981.db2.gz GQYDNJIJFCZSOF-SNVBAGLBSA-N 0 3 303.318 2.208 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000272241860 281018210 /nfs/dbraw/zinc/01/82/10/281018210.db2.gz GQSGSNQGAZRJPG-DOMZBBRYSA-N 0 3 318.377 2.461 20 5 DEBDHN CN(C)CC1(NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CCC1 ZINC000492596177 282074852 /nfs/dbraw/zinc/07/48/52/282074852.db2.gz OVGLCEKJQDKZOL-FPLPWBNLSA-N 0 3 303.362 2.209 20 5 DEBDHN COCCCn1nccc1CNCCc1ccc([N+](=O)[O-])cc1 ZINC000338437471 523518059 /nfs/dbraw/zinc/51/80/59/523518059.db2.gz RTYKKBGOUUQMDF-UHFFFAOYSA-N 0 3 318.377 2.160 20 5 DEBDHN CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@H](N2CCCC2)C1 ZINC000377155421 534879685 /nfs/dbraw/zinc/87/96/85/534879685.db2.gz ZHXYPHRGGWAHEX-AWEZNQCLSA-N 0 3 303.362 2.472 20 5 DEBDHN CCOc1ccc([C@@H](C)NC[C@]2(C)CCC(=O)N2)cc1[N+](=O)[O-] ZINC000453447106 535412945 /nfs/dbraw/zinc/41/29/45/535412945.db2.gz ZBOYEIQBRJBSTI-BZNIZROVSA-N 0 3 321.377 2.313 20 5 DEBDHN CCn1cc(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000353961342 536073403 /nfs/dbraw/zinc/07/34/03/536073403.db2.gz VUQGKNOGKRAKBF-KGLIPLIRSA-N 0 3 318.381 2.281 20 5 DEBDHN CO[C@@H]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000353864361 536689560 /nfs/dbraw/zinc/68/95/60/536689560.db2.gz IKPCUPHXYYMSHQ-OAHLLOKOSA-N 0 3 316.361 2.216 20 5 DEBDHN CC(C)Cn1cc(C(=O)OCC(C)[N+](=O)[O-])c(C(F)F)n1 ZINC000835456184 649923831 /nfs/dbraw/zinc/92/38/31/649923831.db2.gz SMZCTKZGTWZEEA-QMMMGPOBSA-N 0 3 305.281 2.299 20 5 DEBDHN C[C@H](CC[S@@](C)=O)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000128160797 625280128 /nfs/dbraw/zinc/28/01/28/625280128.db2.gz AOEYGICBGKNOHD-HOGDKLEQSA-N 0 3 304.799 2.495 20 5 DEBDHN CC[C@H](NCc1ccc(O)c(OC)c1[N+](=O)[O-])[C@H]1CCCO1 ZINC000893257352 625319845 /nfs/dbraw/zinc/31/98/45/625319845.db2.gz ZPSXWGXQGCZPIC-WCQYABFASA-N 0 3 310.350 2.356 20 5 DEBDHN CC[C@H]([NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-])[C@H]1CCCO1 ZINC000893257352 625319851 /nfs/dbraw/zinc/31/98/51/625319851.db2.gz ZPSXWGXQGCZPIC-WCQYABFASA-N 0 3 310.350 2.356 20 5 DEBDHN CC(C)C[C@@H]1CN(C)CCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000933251164 624127529 /nfs/dbraw/zinc/12/75/29/624127529.db2.gz HEXZEIGYPITZQF-IAGOWNOFSA-N 0 3 321.421 2.290 20 5 DEBDHN COc1c(O)ccc(CN[C@]2(C)CCO[C@H]2C2CC2)c1[N+](=O)[O-] ZINC000893538575 634226952 /nfs/dbraw/zinc/22/69/52/634226952.db2.gz ZEJQFKROGRRGBZ-JKSUJKDBSA-N 0 3 322.361 2.356 20 5 DEBDHN CC(C)N1CC[C@H](N(C)C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000837186088 650172511 /nfs/dbraw/zinc/17/25/11/650172511.db2.gz MUOZOAWGAOQZGU-LBPRGKRZSA-N 0 3 309.341 2.289 20 5 DEBDHN COc1c([O-])ccc(C[NH2+]C[C@H]2CCOC[C@@H]2C)c1[N+](=O)[O-] ZINC000894420106 637030064 /nfs/dbraw/zinc/03/00/64/637030064.db2.gz NPHYSWHZHIMSEV-WDEREUQCSA-N 0 3 310.350 2.071 20 5 DEBDHN Cc1ccc(CN2CC[C@@H](Nc3c([N+](=O)[O-])cnn3C)C2)cc1 ZINC000894990351 637359047 /nfs/dbraw/zinc/35/90/47/637359047.db2.gz VHMORJUEYCQDFX-CQSZACIVSA-N 0 3 315.377 2.323 20 5 DEBDHN C[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)[C@H](C)CN1 ZINC000841233505 637405230 /nfs/dbraw/zinc/40/52/30/637405230.db2.gz WFWBFDSUQYVYIU-RKDXNWHRSA-N 0 3 312.757 2.462 20 5 DEBDHN COc1c(O)ccc(CNC[C@]2(C)CC2(F)F)c1[N+](=O)[O-] ZINC000895375590 637984192 /nfs/dbraw/zinc/98/41/92/637984192.db2.gz AGTMOXLIRRWZTB-LBPRGKRZSA-N 0 3 302.277 2.444 20 5 DEBDHN COc1c(O)ccc(CN[C@]23CCC[C@H]2OCC3)c1[N+](=O)[O-] ZINC000895871211 638238346 /nfs/dbraw/zinc/23/83/46/638238346.db2.gz NRQSGWLZZUTYQL-DOMZBBRYSA-N 0 3 308.334 2.110 20 5 DEBDHN C[C@@H](NC(=O)N(C)[C@H]1CCCN(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000896613778 638604128 /nfs/dbraw/zinc/60/41/28/638604128.db2.gz XIPCIDNZLGFJNP-DOMZBBRYSA-N 0 3 320.393 2.391 20 5 DEBDHN C[C@@H](CNC(=O)N1CCCN(C)CC1)c1ccccc1[N+](=O)[O-] ZINC000897077851 639161320 /nfs/dbraw/zinc/16/13/20/639161320.db2.gz KQDGWMVQGQACDO-ZDUSSCGKSA-N 0 3 320.393 2.045 20 5 DEBDHN COc1c(O)ccc(CNC[C@H]2CC[C@@H](C3CC3)O2)c1[N+](=O)[O-] ZINC000897506088 640511684 /nfs/dbraw/zinc/51/16/84/640511684.db2.gz ULIVUKLMAGJUEN-OCCSQVGLSA-N 0 3 322.361 2.356 20 5 DEBDHN CNC(=O)[C@H]1CCC[C@@H]1NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000765794556 640819446 /nfs/dbraw/zinc/81/94/46/640819446.db2.gz DNIHJGBLAIALHN-RYUDHWBXSA-N 0 3 311.769 2.253 20 5 DEBDHN C[C@@H](C[N+](=O)[O-])OC(=O)c1cccc(CN2CCCCC2)c1 ZINC000842367678 650719097 /nfs/dbraw/zinc/71/90/97/650719097.db2.gz MIVUIRXDTUGVCY-ZDUSSCGKSA-N 0 3 306.362 2.495 20 5 DEBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC(c3c[nH]cn3)CC2)cc1 ZINC000776592686 642190373 /nfs/dbraw/zinc/19/03/73/642190373.db2.gz XPVLOJTVFNWEDG-INIZCTEOSA-N 0 3 316.361 2.231 20 5 DEBDHN CC[C@@]1(CO)CCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000778329125 642373157 /nfs/dbraw/zinc/37/31/57/642373157.db2.gz FGFVWDGVXLNCCM-JKSUJKDBSA-N 0 3 308.378 2.113 20 5 DEBDHN COc1cc([C@H](C)N[C@H](C)[C@H](CO)SC)cc([N+](=O)[O-])c1 ZINC000903100674 643248713 /nfs/dbraw/zinc/24/87/13/643248713.db2.gz UNXWURIKEFOZSW-RBZYPMLTSA-N 0 3 314.407 2.366 20 5 DEBDHN CCC(=O)N1CC[C@H](N[C@@H](C)c2cc(OC)cc([N+](=O)[O-])c2)C1 ZINC000903113521 643256065 /nfs/dbraw/zinc/25/60/65/643256065.db2.gz VGIOBONVROCCRL-AAEUAGOBSA-N 0 3 321.377 2.265 20 5 DEBDHN CCC(=O)N1CC[C@H](N[C@H](C)c2cc(OC)cc([N+](=O)[O-])c2)C1 ZINC000903113527 643256132 /nfs/dbraw/zinc/25/61/32/643256132.db2.gz VGIOBONVROCCRL-YPMHNXCESA-N 0 3 321.377 2.265 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000903288422 643312411 /nfs/dbraw/zinc/31/24/11/643312411.db2.gz XTFKDUYPFCRHCU-KLHXSOHHSA-N 0 3 304.346 2.430 20 5 DEBDHN O=[N+]([O-])CCN[C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC000905280965 643856060 /nfs/dbraw/zinc/85/60/60/643856060.db2.gz RQGDYQYCXPSIMV-NSHDSACASA-N 0 3 322.315 2.009 20 5 DEBDHN Cc1c(-c2noc(C[C@H]3CSCCN3)n2)cccc1[N+](=O)[O-] ZINC000843238587 650936384 /nfs/dbraw/zinc/93/63/84/650936384.db2.gz VZZSXOYQVQZWLN-JTQLQIEISA-N 0 3 320.374 2.201 20 5 DEBDHN CN(C)C1(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CCC1 ZINC000801562928 645416077 /nfs/dbraw/zinc/41/60/77/645416077.db2.gz IEKCSMMQRGHZQU-UHFFFAOYSA-N 0 3 305.378 2.080 20 5 DEBDHN CCN(CC)CC(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913385362 646340032 /nfs/dbraw/zinc/34/00/32/646340032.db2.gz YPSYEYMDGPEVBM-UHFFFAOYSA-N 0 3 317.748 2.345 20 5 DEBDHN CC(COC(=O)Cc1cccc(Br)c1)[N+](=O)[O-] ZINC000813108431 646730238 /nfs/dbraw/zinc/73/02/38/646730238.db2.gz FUIDMVLYWJFGNG-MRVPVSSYSA-N 0 3 302.124 2.200 20 5 DEBDHN CC(COC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000813109837 646730589 /nfs/dbraw/zinc/73/05/89/646730589.db2.gz WVBITIAZMDGNOX-ZCFIWIBFSA-N 0 3 320.204 2.018 20 5 DEBDHN CC(COC(=O)c1ccc(OC2CCOCC2)cc1)[N+](=O)[O-] ZINC000813112887 646731520 /nfs/dbraw/zinc/73/15/20/646731520.db2.gz VTSQHGHVJZQALP-NSHDSACASA-N 0 3 309.318 2.066 20 5 DEBDHN CC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C[C@H](C)N1 ZINC000826678558 648904466 /nfs/dbraw/zinc/90/44/66/648904466.db2.gz AULQYQVWXZDETB-KSZJFAHPSA-N 0 3 317.389 2.297 20 5 DEBDHN CCN1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000827210628 648993289 /nfs/dbraw/zinc/99/32/89/648993289.db2.gz PRDQJYQWMHWSFN-LBPRGKRZSA-N 0 3 309.341 2.338 20 5 DEBDHN CO[C@@H]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000831547791 649609233 /nfs/dbraw/zinc/60/92/33/649609233.db2.gz WRXRCZWFPAATAX-LSDHHAIUSA-N 0 3 308.378 2.375 20 5 DEBDHN O=[N+]([O-])c1ccc(Cc2noc([C@H]3CC[C@@H](C4CC4)N3)n2)nc1 ZINC000844912967 651182677 /nfs/dbraw/zinc/18/26/77/651182677.db2.gz MIKAGXHUZKBWKG-QWHCGFSZSA-N 0 3 315.333 2.167 20 5 DEBDHN CC(COC(=O)[C@@]1(C(=O)OC(C)(C)C)CC=CCC1)[N+](=O)[O-] ZINC000845575378 651255889 /nfs/dbraw/zinc/25/58/89/651255889.db2.gz GZLAUISZTWSQFJ-XHDPSFHLSA-N 0 3 313.350 2.263 20 5 DEBDHN Cc1cc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])n(C)n1 ZINC000845874712 651291363 /nfs/dbraw/zinc/29/13/63/651291363.db2.gz JUOULCCUJUGCLZ-QMTHXVAHSA-N 0 3 321.308 2.431 20 5 DEBDHN CC([C@@H](OC(=O)CCn1cccn1)c1ccccc1F)[N+](=O)[O-] ZINC000845877353 651291507 /nfs/dbraw/zinc/29/15/07/651291507.db2.gz REQGSSWTAJNQSN-XHDPSFHLSA-N 0 3 321.308 2.362 20 5 DEBDHN CN(C[C@H]1CCCOC1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000107670869 651467341 /nfs/dbraw/zinc/46/73/41/651467341.db2.gz REAXDQIXDDGRQH-GFCCVEGCSA-N 0 3 304.350 2.260 20 5 DEBDHN CC(COC(=O)[C@@H](C(=O)OC(C)(C)C)C1CCCC1)[N+](=O)[O-] ZINC000851035788 652049447 /nfs/dbraw/zinc/04/94/47/652049447.db2.gz AZCAIDZJCYSPOO-PWSUYJOCSA-N 0 3 315.366 2.343 20 5 DEBDHN Cc1nn(CN2CCN(CCC(C)(C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000077569490 683953945 /nfs/dbraw/zinc/95/39/45/683953945.db2.gz JTADPAJJOVUGCL-UHFFFAOYSA-N 0 3 323.441 2.419 20 5 DEBDHN COCCC1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000859400736 685722108 /nfs/dbraw/zinc/72/21/08/685722108.db2.gz MBFQUGASVYKEAD-MRXNPFEDSA-N 0 3 308.378 2.377 20 5 DEBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000860011089 685870099 /nfs/dbraw/zinc/87/00/99/685870099.db2.gz UGVBMMNSSOUZIP-CABZTGNLSA-N 0 3 323.780 2.461 20 5 DEBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])c(C)n1C[C@@H]1CCCOC1 ZINC000860776254 685960202 /nfs/dbraw/zinc/96/02/02/685960202.db2.gz CXRAYCVEYTUILO-JSGCOSHPSA-N 0 3 324.377 2.354 20 5 DEBDHN COCCN1CCC[C@H]1COC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000861034551 685988601 /nfs/dbraw/zinc/98/86/01/685988601.db2.gz XMPSXNBMYHFDHZ-AWEZNQCLSA-N 0 3 322.361 2.171 20 5 DEBDHN CC(C)(C)N1CC[C@@H]1CNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000869226564 688247003 /nfs/dbraw/zinc/24/70/03/688247003.db2.gz WEXUVONZNJLYEY-GFCCVEGCSA-N 0 3 323.368 2.265 20 5 DEBDHN Cc1cccc(C(=O)N2CCN(C)C(C)(C)CC2)c1[N+](=O)[O-] ZINC000871151867 688735669 /nfs/dbraw/zinc/73/56/69/688735669.db2.gz DVVPBUNOLLZBSE-UHFFFAOYSA-N 0 3 305.378 2.460 20 5 DEBDHN CNC(=O)C[C@@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872075248 688922914 /nfs/dbraw/zinc/92/29/14/688922914.db2.gz BFEINDRCMFCGGA-ZJUUUORDSA-N 0 3 311.407 2.492 20 5 DEBDHN COc1cc(N2CC[C@@H]3[C@H]2CCCN3C)c(F)cc1[N+](=O)[O-] ZINC000872779854 689091999 /nfs/dbraw/zinc/09/19/99/689091999.db2.gz JAYBZOPQZNEOAD-VXGBXAGGSA-N 0 3 309.341 2.415 20 5 DEBDHN Cc1cccc(C(=O)N2CC[C@@H]3[C@H]2CCCN3C)c1[N+](=O)[O-] ZINC000874849890 689519018 /nfs/dbraw/zinc/51/90/18/689519018.db2.gz ZPWQDDBGUISRRM-ZIAGYGMSSA-N 0 3 303.362 2.212 20 5 DEBDHN Cc1c(C(=O)N2CC[C@H]3[C@H]2CCCN3C)cccc1[N+](=O)[O-] ZINC000874849609 689519205 /nfs/dbraw/zinc/51/92/05/689519205.db2.gz KKWQQPMEZUKING-LSDHHAIUSA-N 0 3 303.362 2.212 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000931262351 694351623 /nfs/dbraw/zinc/35/16/23/694351623.db2.gz UFHIAYHTIPELQZ-ZYHUDNBSSA-N 0 3 322.365 2.208 20 5 DEBDHN O=C1NCCC12CCN(Cc1cc(Cl)ccc1[N+](=O)[O-])CC2 ZINC000877782497 690226961 /nfs/dbraw/zinc/22/69/61/690226961.db2.gz BLPLZSAMFIBSJW-UHFFFAOYSA-N 0 3 323.780 2.350 20 5 DEBDHN O=[N+]([O-])c1sc(CNC[C@H]2C[C@H](O)C2)cc1Br ZINC000877811563 690238373 /nfs/dbraw/zinc/23/83/73/690238373.db2.gz PEBDKBCCCOPPNS-LJGSYFOKSA-N 0 3 321.196 2.279 20 5 DEBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@@H](O)CC1(O)CCCC1 ZINC000878599173 690450944 /nfs/dbraw/zinc/45/09/44/690450944.db2.gz VODQASPFSSERTF-HNNXBMFYSA-N 0 3 322.405 2.125 20 5 DEBDHN COc1ccc(OCCN2C[C@@H](OC)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000879320683 690618569 /nfs/dbraw/zinc/61/85/69/690618569.db2.gz KYCJNOHBTSQXHA-OCCSQVGLSA-N 0 3 324.377 2.482 20 5 DEBDHN CO[C@@H]1COCC[C@@H]1N(C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000880432758 690897345 /nfs/dbraw/zinc/89/73/45/690897345.db2.gz HLFINFQDIOALJF-GXTWGEPZSA-N 0 3 314.769 2.484 20 5 DEBDHN Cc1ccc(CN2C[C@H](O)CC3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000880579371 690932875 /nfs/dbraw/zinc/93/28/75/690932875.db2.gz QXSSEKBUCJVHNJ-OAHLLOKOSA-N 0 3 320.389 2.267 20 5 DEBDHN CC(=O)c1c(NC[C@H]2CCCN2CCCO)cccc1[N+](=O)[O-] ZINC000882408169 691277521 /nfs/dbraw/zinc/27/75/21/691277521.db2.gz CBNGGPZZAYUWJU-CYBMUJFWSA-N 0 3 321.377 2.056 20 5 DEBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@@H](CO)C2CC2)c1 ZINC000883003121 691407517 /nfs/dbraw/zinc/40/75/17/691407517.db2.gz ZHEXDERMYPVIDV-NSHDSACASA-N 0 3 302.277 2.057 20 5 DEBDHN O=[N+]([O-])c1ccc(CNC[C@@H](CO)Cc2ccoc2)c(F)c1 ZINC000883270169 691469074 /nfs/dbraw/zinc/46/90/74/691469074.db2.gz HNOKDUDYSCGIBT-LBPRGKRZSA-N 0 3 308.309 2.268 20 5 DEBDHN C[C@H](CNC(=O)C1(N(C)C)CCC1)c1ccccc1[N+](=O)[O-] ZINC000887400831 692355336 /nfs/dbraw/zinc/35/53/36/692355336.db2.gz KYPMQYLIHNGERK-GFCCVEGCSA-N 0 3 305.378 2.299 20 5 DEBDHN CNc1c(C(=O)NCCN2CCC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000890072055 692852136 /nfs/dbraw/zinc/85/21/36/692852136.db2.gz ICVXPMGMCIIFEG-UHFFFAOYSA-N 0 3 320.393 2.098 20 5 DEBDHN O=C([C@H]1CNCc2ccccc21)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001345780441 1150915371 /nfs/dbraw/zinc/91/53/71/1150915371.db2.gz DGSCNZKJPPPQNB-KRWDZBQOSA-N 0 3 323.352 2.324 20 5 DEBDHN COc1ccc2c(c1)c(CN)nn2[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169003074 784999637 /nfs/dbraw/zinc/99/96/37/784999637.db2.gz NARFASYHYZTHCQ-MNOVXSKESA-N 0 3 304.350 2.122 20 5 DEBDHN COc1ccccc1N1CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169006262 785001081 /nfs/dbraw/zinc/00/10/81/785001081.db2.gz GMCPPUHKEKIEOS-CABCVRRESA-N 0 3 319.405 2.263 20 5 DEBDHN COc1ccc(C[C@H](C)N2C[C@@H]3CCO[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170353479 786916665 /nfs/dbraw/zinc/91/66/65/786916665.db2.gz YRELOHZHBKRBRG-DETPVDSQSA-N 0 3 306.362 2.255 20 5 DEBDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1cnc([N+](=O)[O-])cn1 ZINC001170681010 788382383 /nfs/dbraw/zinc/38/23/83/788382383.db2.gz BMDJIGLOWSPYQU-JTQLQIEISA-N 0 3 310.317 2.257 20 5 DEBDHN O=C(N[C@@]12CCN(C1)CCC2)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001175054505 794128781 /nfs/dbraw/zinc/12/87/81/794128781.db2.gz MPGNDNUXNVJJMF-AWEZNQCLSA-N 0 3 309.753 2.216 20 5 DEBDHN Cc1cncc([N+](=O)[O-])c1NC[C@@H](c1cccs1)N(C)C ZINC001116727564 794981521 /nfs/dbraw/zinc/98/15/21/794981521.db2.gz YENFUOQTEDZYAZ-NSHDSACASA-N 0 3 306.391 2.496 20 5 DEBDHN CN(C)Cc1ccccc1NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001141421856 796666531 /nfs/dbraw/zinc/66/65/31/796666531.db2.gz AVPWELGXVMOAMV-UHFFFAOYSA-N 0 3 323.740 2.285 20 5 DEBDHN COc1cnc(-n2c3ccccc3nc2[C@@H](C)N)c([N+](=O)[O-])c1 ZINC001155254921 797719050 /nfs/dbraw/zinc/71/90/50/797719050.db2.gz PHKAKHXIVPFCFI-SECBINFHSA-N 0 3 313.317 2.357 20 5 DEBDHN O=C(CC1CCC1)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001156185841 797942107 /nfs/dbraw/zinc/94/21/07/797942107.db2.gz KDQHLNXWNXDKNW-UHFFFAOYSA-N 0 3 311.407 2.442 20 5 DEBDHN CN1CC[C@H](Nc2cc3ncnc(Cl)c3cc2[N+](=O)[O-])C1 ZINC001156580878 798034387 /nfs/dbraw/zinc/03/43/87/798034387.db2.gz YWPQWAAXXBJHIW-QMMMGPOBSA-N 0 3 307.741 2.307 20 5 DEBDHN NCc1nn(-c2ncc([N+](=O)[O-])cc2Cl)c2ccccc12 ZINC001156856004 798096096 /nfs/dbraw/zinc/09/60/96/798096096.db2.gz MBYGAYMHICVAKD-UHFFFAOYSA-N 0 3 303.709 2.441 20 5 DEBDHN CC(C)N1CCN(c2cc([N+](=O)[O-])c3cc[nH]c3n2)C[C@@H]1C ZINC001158495525 798416575 /nfs/dbraw/zinc/41/65/75/798416575.db2.gz VOJZZQAQKZWAKC-NSHDSACASA-N 0 3 303.366 2.390 20 5 DEBDHN CC(=CC(=O)OC(C)C)Nc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001166763232 799944317 /nfs/dbraw/zinc/94/43/17/799944317.db2.gz AVYZVUDZDXLCGS-WMZJFQQLSA-N 0 3 305.334 2.465 20 5 DEBDHN CCN1CC[C@@H](Oc2ccc3c(C)cc(=O)oc3c2[N+](=O)[O-])C1 ZINC001229941696 801340278 /nfs/dbraw/zinc/34/02/78/801340278.db2.gz CUXJNGGLTIUUNS-LLVKDONJSA-N 0 3 318.329 2.483 20 5 DEBDHN CCCC(=O)Nc1c(O[C@@H]2CCN(C)C2)cccc1[N+](=O)[O-] ZINC001231358625 801646075 /nfs/dbraw/zinc/64/60/75/801646075.db2.gz FOZCJCYRVYIAME-LLVKDONJSA-N 0 3 307.350 2.416 20 5 DEBDHN COCCN1CCC(Oc2ccc([N+](=O)[O-])c(F)c2F)CC1 ZINC001233764314 802202149 /nfs/dbraw/zinc/20/21/49/802202149.db2.gz BILAULRGTYWCHU-UHFFFAOYSA-N 0 3 316.304 2.363 20 5 DEBDHN COC(=O)c1ccc(OC2CCN(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC001227295102 803228224 /nfs/dbraw/zinc/22/82/24/803228224.db2.gz KFDGYVPJIRACQX-UHFFFAOYSA-N 0 3 320.345 2.387 20 5 DEBDHN CCOC(=O)c1ccc(O[C@@H]2CCN(CC)C2)c([N+](=O)[O-])c1 ZINC001227296889 803228632 /nfs/dbraw/zinc/22/86/32/803228632.db2.gz HTOVFIGOCVGAGA-GFCCVEGCSA-N 0 3 308.334 2.245 20 5 DEBDHN CC([C@H](OC(=O)[C@@]1(F)CCOC1)c1ccccc1F)[N+](=O)[O-] ZINC001343838832 1150777305 /nfs/dbraw/zinc/77/73/05/1150777305.db2.gz SZGUELQITDZMSH-LJWDBELGSA-N 0 3 315.272 2.204 20 5 DEBDHN C[C@H]1CC[N@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C[C@H]1C ZINC001603909874 1070146601 /nfs/dbraw/zinc/14/66/01/1070146601.db2.gz FJEUFWIINARWED-WDEREUQCSA-N 0 3 316.365 2.253 20 5 DEBDHN C[C@H]1CC[N@@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C[C@H]1C ZINC001603909874 1070146605 /nfs/dbraw/zinc/14/66/05/1070146605.db2.gz FJEUFWIINARWED-WDEREUQCSA-N 0 3 316.365 2.253 20 5 DEBDHN CC([C@@H](OC(=O)Cc1cc[nH]n1)c1ccccc1F)[N+](=O)[O-] ZINC001526031950 1070204179 /nfs/dbraw/zinc/20/41/79/1070204179.db2.gz PIEMWNVMRDUDNN-LKFCYVNXSA-N 0 3 307.281 2.041 20 5 DEBDHN CC[N@H+](Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C1CCC1 ZINC001604319633 1070321022 /nfs/dbraw/zinc/32/10/22/1070321022.db2.gz HOCXSBSGHDYEAV-UHFFFAOYSA-N 0 3 302.338 2.149 20 5 DEBDHN CC[N@@H+](Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C1CCC1 ZINC001604319633 1070321044 /nfs/dbraw/zinc/32/10/44/1070321044.db2.gz HOCXSBSGHDYEAV-UHFFFAOYSA-N 0 3 302.338 2.149 20 5 DEBDHN CC[N@H+](Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C1CCC1 ZINC001604319633 1070321064 /nfs/dbraw/zinc/32/10/64/1070321064.db2.gz HOCXSBSGHDYEAV-UHFFFAOYSA-N 0 3 302.338 2.149 20 5 DEBDHN CC[N@@H+](Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C1CCC1 ZINC001604319633 1070321086 /nfs/dbraw/zinc/32/10/86/1070321086.db2.gz HOCXSBSGHDYEAV-UHFFFAOYSA-N 0 3 302.338 2.149 20 5 DEBDHN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC001466796270 1059537504 /nfs/dbraw/zinc/53/75/04/1059537504.db2.gz LXDMQZIKGSOCDK-LLVKDONJSA-N 0 3 321.352 2.423 20 5 DEBDHN COc1c([O-])ccc(C[NH2+][C@@H]2CC(C)(C)CC[C@H]2O)c1[N+](=O)[O-] ZINC001474659878 1060913020 /nfs/dbraw/zinc/91/30/20/1060913020.db2.gz VIAIUJHMNINVBO-VXGBXAGGSA-N 0 3 324.377 2.338 20 5 DEBDHN O=C(NCC1(NCc2ccc([N+](=O)[O-])cc2)CCC1)C1CC1 ZINC001570094411 1065920781 /nfs/dbraw/zinc/92/07/81/1065920781.db2.gz HPYTVXFIDOYETR-UHFFFAOYSA-N 0 3 303.362 2.133 20 5 DEBDHN NCc1nn(-c2c(Cl)cncc2[N+](=O)[O-])c2ccccc12 ZINC001167697658 1079094059 /nfs/dbraw/zinc/09/40/59/1079094059.db2.gz BNEMOMCWTRSVBF-UHFFFAOYSA-N 0 3 303.709 2.441 20 5 DEBDHN CC1(C(=O)NC[C@H]2C[C@H](NCc3ccccc3[N+](=O)[O-])C2)CC1 ZINC001565865848 1075200173 /nfs/dbraw/zinc/20/01/73/1075200173.db2.gz PYYMHVLTHHDUPD-MQMHXKEQSA-N 0 3 317.389 2.379 20 5 DEBDHN O=c1[nH]c2ccccc2n1CCNCc1cccc([N+](=O)[O-])c1 ZINC001620830325 1076371556 /nfs/dbraw/zinc/37/15/56/1076371556.db2.gz IKTNFMCCYZRNBD-UHFFFAOYSA-N 0 3 312.329 2.440 20 5 DEBDHN CC1(C)CCC[C@H]1[NH2+]Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590095339 1076563344 /nfs/dbraw/zinc/56/33/44/1076563344.db2.gz RMRUULHKAQOSTA-CYBMUJFWSA-N 0 3 316.365 2.443 20 5 DEBDHN CC1(C)CCC[C@H]1[NH2+]Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590095339 1076563347 /nfs/dbraw/zinc/56/33/47/1076563347.db2.gz RMRUULHKAQOSTA-CYBMUJFWSA-N 0 3 316.365 2.443 20 5 DEBDHN C[C@H]1CCC[C@H]1[NH2+]Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590247278 1076599061 /nfs/dbraw/zinc/59/90/61/1076599061.db2.gz JGFPFMKVBZZKHV-JOYOIKCWSA-N 0 3 302.338 2.053 20 5 DEBDHN C[C@H]1CCC[C@H]1[NH2+]Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590247278 1076599063 /nfs/dbraw/zinc/59/90/63/1076599063.db2.gz JGFPFMKVBZZKHV-JOYOIKCWSA-N 0 3 302.338 2.053 20 5 DEBDHN CSCC(C)(C)[NH2+]Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591694256 1076774855 /nfs/dbraw/zinc/77/48/55/1076774855.db2.gz RCETXZIDJIKMIH-UHFFFAOYSA-N 0 3 322.394 2.006 20 5 DEBDHN CSCC(C)(C)[NH2+]Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591694256 1076774857 /nfs/dbraw/zinc/77/48/57/1076774857.db2.gz RCETXZIDJIKMIH-UHFFFAOYSA-N 0 3 322.394 2.006 20 5 DEBDHN C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609165908 1077781701 /nfs/dbraw/zinc/78/17/01/1077781701.db2.gz ABJFLEMGAHCMDQ-WDEREUQCSA-N 0 3 316.365 2.395 20 5 DEBDHN C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609165908 1077781708 /nfs/dbraw/zinc/78/17/08/1077781708.db2.gz ABJFLEMGAHCMDQ-WDEREUQCSA-N 0 3 316.365 2.395 20 5 DEBDHN C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609165908 1077781714 /nfs/dbraw/zinc/78/17/14/1077781714.db2.gz ABJFLEMGAHCMDQ-WDEREUQCSA-N 0 3 316.365 2.395 20 5 DEBDHN C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609165908 1077781718 /nfs/dbraw/zinc/78/17/18/1077781718.db2.gz ABJFLEMGAHCMDQ-WDEREUQCSA-N 0 3 316.365 2.395 20 5 DEBDHN COc1cc(C[NH2+]CCc2cnc(C)s2)c([N+](=O)[O-])cc1[O-] ZINC001657606172 1080179894 /nfs/dbraw/zinc/17/98/94/1080179894.db2.gz FMTYAKXKZCNQOS-UHFFFAOYSA-N 0 3 323.374 2.406 20 5 DEBDHN CC(C)(C)N1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC001319160962 1140516460 /nfs/dbraw/zinc/51/64/60/1140516460.db2.gz MDTIKKSRYQKKDK-UHFFFAOYSA-N 0 3 317.393 2.318 20 5 DEBDHN CC[C@](O)(CNCCNc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001336736297 1142553640 /nfs/dbraw/zinc/55/36/40/1142553640.db2.gz LSKKLIPWJOHDSU-LBPRGKRZSA-N 0 3 321.299 2.300 20 5 DEBDHN COc1cc(C(=O)NC[C@H]2CCCCN2C)cc([N+](=O)[O-])c1C ZINC001337559038 1142768747 /nfs/dbraw/zinc/76/87/47/1142768747.db2.gz ZMMGRUHXHYFXPH-CYBMUJFWSA-N 0 3 321.377 2.126 20 5 DEBDHN CC(C)(C)N1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001253448672 1142872232 /nfs/dbraw/zinc/87/22/32/1142872232.db2.gz IBLQIZRLPPEQFG-HNNXBMFYSA-N 0 3 307.394 2.044 20 5 DEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])n1c(=N)sc2c1CCNC2 ZINC001254559836 1143247893 /nfs/dbraw/zinc/24/78/93/1143247893.db2.gz NMNGRBRYVJQISA-JTQLQIEISA-N 0 3 318.402 2.387 20 5 DEBDHN COCCCN1CCN([C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254560000 1143248071 /nfs/dbraw/zinc/24/80/71/1143248071.db2.gz OMANHDUKAVSLCK-OAHLLOKOSA-N 0 3 321.421 2.180 20 5 DEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@H]1CCC(=O)N2C ZINC001254559327 1143248757 /nfs/dbraw/zinc/24/87/57/1143248757.db2.gz XAWZUUUXOITLIW-APHBMKBZSA-N 0 3 317.389 2.221 20 5 DEBDHN O=C1CC[C@@]2(CCCN([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)O1 ZINC001254609615 1143281758 /nfs/dbraw/zinc/28/17/58/1143281758.db2.gz YDRAWPGPXUVOHN-NVXWUHKLSA-N 0 3 316.357 2.234 20 5 DEBDHN CCN1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(C)c2)C(C)(C)C1 ZINC001304041683 1147342873 /nfs/dbraw/zinc/34/28/73/1147342873.db2.gz REMBMJWKWDMGJW-AWEZNQCLSA-N 0 3 305.378 2.363 20 5 DEBDHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)C1CCCC1 ZINC001317562403 1147725738 /nfs/dbraw/zinc/72/57/38/1147725738.db2.gz NKOOVOLRSAKTAO-UHFFFAOYSA-N 0 3 305.378 2.333 20 5 DEBDHN O=C(CN[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)NCC1CC1 ZINC000181286077 199275510 /nfs/dbraw/zinc/27/55/10/199275510.db2.gz HDYMCUCTPZSURN-OAHLLOKOSA-N 0 3 317.389 2.032 20 5 DEBDHN CCNC(=O)N1CC[C@@H](N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000090410011 185294827 /nfs/dbraw/zinc/29/48/27/185294827.db2.gz CHUWNROCNOGRPY-TZMCWYRMSA-N 0 3 320.393 2.358 20 5 DEBDHN Cc1ccc(C(=O)N[C@@H](C)C2=CCN(C)CC2)cc1[N+](=O)[O-] ZINC000272811997 210212403 /nfs/dbraw/zinc/21/24/03/210212403.db2.gz WFKVMJSVNLVQMB-LBPRGKRZSA-N 0 3 303.362 2.283 20 5 DEBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000330538242 231902823 /nfs/dbraw/zinc/90/28/23/231902823.db2.gz GFWNMDKEMZRUTM-GFCCVEGCSA-N 0 3 320.393 2.101 20 5 DEBDHN CN1CCC[C@@H](CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000149237287 186048409 /nfs/dbraw/zinc/04/84/09/186048409.db2.gz ZYLMVTLXZUWSCZ-JTQLQIEISA-N 0 3 311.769 2.320 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@H]1CN(C)C ZINC000617405059 363123237 /nfs/dbraw/zinc/12/32/37/363123237.db2.gz YUNGHFJTDHRJQN-ZDUSSCGKSA-N 0 3 321.377 2.160 20 5 DEBDHN CC[C@@H](CN1CCCC1)NC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000617407267 363123984 /nfs/dbraw/zinc/12/39/84/363123984.db2.gz ZZGIIIJZTHUURD-LBPRGKRZSA-N 0 3 321.377 2.208 20 5 DEBDHN CCN1CCN(C[C@@H](C)CNc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000277168058 213342091 /nfs/dbraw/zinc/34/20/91/213342091.db2.gz UDARTUVNSBTLOT-ZDUSSCGKSA-N 0 3 324.400 2.419 20 5 DEBDHN C[C@@]1(CO)CCC[C@@H]1NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000331983970 234352723 /nfs/dbraw/zinc/35/27/23/234352723.db2.gz TWJKEGIDJCHLDB-HOCLYGCPSA-N 0 3 322.361 2.102 20 5 DEBDHN C[C@H](C(=O)N[C@H]1CCN(CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000617724553 363234682 /nfs/dbraw/zinc/23/46/82/363234682.db2.gz QJKUUAQBYLQTND-WFASDCNBSA-N 0 3 317.389 2.299 20 5 DEBDHN CC(C)[C@H](C)N(C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000030149384 354120127 /nfs/dbraw/zinc/12/01/27/354120127.db2.gz NAZBGVXVDDMIDZ-JTQLQIEISA-N 0 3 323.349 2.238 20 5 DEBDHN Cc1cc(C(=O)NCCN2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000047145579 354308478 /nfs/dbraw/zinc/30/84/78/354308478.db2.gz VGDFGFIFKNLCTD-LBPRGKRZSA-N 0 3 305.378 2.365 20 5 DEBDHN CCCNC(=O)[C@@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000050995300 354377652 /nfs/dbraw/zinc/37/76/52/354377652.db2.gz CWKXZQHPUTVGCO-OAHLLOKOSA-N 0 3 319.405 2.376 20 5 DEBDHN O=[N+]([O-])c1cccc(CN2CCC(CN3CCOCC3)CC2)c1 ZINC000051958542 354391549 /nfs/dbraw/zinc/39/15/49/354391549.db2.gz IQFWHZBVIKXMSX-UHFFFAOYSA-N 0 3 319.405 2.139 20 5 DEBDHN Cc1ccc(CN(CCN(C)C)C(=O)c2cc([N+](=O)[O-])c[nH]2)o1 ZINC000056342994 354529275 /nfs/dbraw/zinc/52/92/75/354529275.db2.gz DYTCWFHADBWPJS-UHFFFAOYSA-N 0 3 320.349 2.028 20 5 DEBDHN CCN(CC)[C@@H](CNc1c([N+](=O)[O-])ncn1C)c1ccco1 ZINC000067383251 354759831 /nfs/dbraw/zinc/75/98/31/354759831.db2.gz COLLIPBUZCYCIJ-NSHDSACASA-N 0 3 307.354 2.416 20 5 DEBDHN O=[N+]([O-])c1ccccc1N1CCC(CN2CCOCC2)CC1 ZINC000076805197 355168642 /nfs/dbraw/zinc/16/86/42/355168642.db2.gz NGPJFAOVNPEVQI-UHFFFAOYSA-N 0 3 305.378 2.143 20 5 DEBDHN CCNC(=O)CN[C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000129622543 355836099 /nfs/dbraw/zinc/83/60/99/355836099.db2.gz PYAOSXAURBYVNI-GXTWGEPZSA-N 0 3 305.378 2.032 20 5 DEBDHN CN(C)CCSCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000167179060 355977840 /nfs/dbraw/zinc/97/78/40/355977840.db2.gz PXFVMCWKLVIEBZ-UHFFFAOYSA-N 0 3 317.798 2.482 20 5 DEBDHN CC[C@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000182384242 356125095 /nfs/dbraw/zinc/12/50/95/356125095.db2.gz FXACEIYCZRXPCF-GJZGRUSLSA-N 0 3 321.377 2.105 20 5 DEBDHN C[C@@H](C(=O)N(C)[C@H]1CCCN(C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000184232099 356188460 /nfs/dbraw/zinc/18/84/60/356188460.db2.gz HBTVIMWUYOBBSK-YPMHNXCESA-N 0 3 323.368 2.390 20 5 DEBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000080771535 192189414 /nfs/dbraw/zinc/18/94/14/192189414.db2.gz ZNONJOLLCHURPR-FZMZJTMJSA-N 0 3 306.366 2.399 20 5 DEBDHN C[C@@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)N1C ZINC000293535518 356389331 /nfs/dbraw/zinc/38/93/31/356389331.db2.gz XJYFWJCDIYOBFR-OKILXGFUSA-N 0 3 307.394 2.388 20 5 DEBDHN COCC[C@@H](C)CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000591263177 357696504 /nfs/dbraw/zinc/69/65/04/357696504.db2.gz VCSPJRGJZDPNKC-LLVKDONJSA-N 0 3 310.350 2.128 20 5 DEBDHN CC(C)N1CC[C@H](N(C)c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000450950129 283282248 /nfs/dbraw/zinc/28/22/48/283282248.db2.gz LWTOYVSTVAPODR-JTQLQIEISA-N 0 3 309.395 2.223 20 5 DEBDHN CC(C)c1ccc(C(=O)NC[C@@H]2C[C@H](F)CN2)cc1[N+](=O)[O-] ZINC000591685952 357751411 /nfs/dbraw/zinc/75/14/11/357751411.db2.gz DITLGEYGEKHXFG-RYUDHWBXSA-N 0 3 309.341 2.148 20 5 DEBDHN CC[C@@H](C)C[C@H](CO)NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000592375065 357868877 /nfs/dbraw/zinc/86/88/77/357868877.db2.gz PWDKZJVRUXGHQV-DGCLKSJQSA-N 0 3 324.377 2.253 20 5 DEBDHN CCCN(C(=O)c1ccc([N+](=O)[O-])c(OC)c1)[C@H]1CCN(C)C1 ZINC000592830953 357952938 /nfs/dbraw/zinc/95/29/38/357952938.db2.gz JCXGYENAQBOTLY-ZDUSSCGKSA-N 0 3 321.377 2.160 20 5 DEBDHN CCCN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000592829304 357953137 /nfs/dbraw/zinc/95/31/37/357953137.db2.gz NFLNKMWVZWTYIU-HNNXBMFYSA-N 0 3 305.378 2.080 20 5 DEBDHN Cc1cc(C(=O)N(C)CCN2CCCCC2)ccc1[N+](=O)[O-] ZINC000593882037 358164089 /nfs/dbraw/zinc/16/40/89/358164089.db2.gz BFBBWLJFGFLLMO-UHFFFAOYSA-N 0 3 305.378 2.461 20 5 DEBDHN COC1(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])CCOCC1 ZINC000594503467 358285199 /nfs/dbraw/zinc/28/51/99/358285199.db2.gz XFUVOXIBLIDYOO-CQSZACIVSA-N 0 3 306.362 2.367 20 5 DEBDHN CC(C)Oc1nc(N2CC[C@H]3CCN(C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000594576828 358296159 /nfs/dbraw/zinc/29/61/59/358296159.db2.gz BGTQIRVHGXDOOK-OCCSQVGLSA-N 0 3 320.393 2.307 20 5 DEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1C[C@@H]2CCCC[C@@H]21 ZINC000594713449 358323232 /nfs/dbraw/zinc/32/32/32/358323232.db2.gz FXOBHBNVSNDBLF-IHRRRGAJSA-N 0 3 306.362 2.209 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@]1(O)CCSC1 ZINC000595011013 358377558 /nfs/dbraw/zinc/37/75/58/358377558.db2.gz FTQXUDMQEXGHGS-QMTHXVAHSA-N 0 3 312.391 2.122 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H](C)CC[S@](C)=O ZINC000595029575 358380138 /nfs/dbraw/zinc/38/01/38/358380138.db2.gz WUTCCDDZLNGKKO-HJTOQOCKSA-N 0 3 314.407 2.411 20 5 DEBDHN CC[C@@H](NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC000595764902 358543503 /nfs/dbraw/zinc/54/35/03/358543503.db2.gz GSDNPUKFOHBGQG-GFCCVEGCSA-N 0 3 307.350 2.320 20 5 DEBDHN CCOC(=O)CC1(NCc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000595874295 358569133 /nfs/dbraw/zinc/56/91/33/358569133.db2.gz PCBSVBUGMKPJSW-UHFFFAOYSA-N 0 3 322.361 2.187 20 5 DEBDHN O=c1[n-]ccc(NC[C@H]2CCC[N@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000596570026 358716754 /nfs/dbraw/zinc/71/67/54/358716754.db2.gz HDKOZFDPUVSFJV-GFCCVEGCSA-N 0 3 306.366 2.229 20 5 DEBDHN O=c1[n-]ccc(NC[C@H]2CCC[N@@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000596570026 358716757 /nfs/dbraw/zinc/71/67/57/358716757.db2.gz HDKOZFDPUVSFJV-GFCCVEGCSA-N 0 3 306.366 2.229 20 5 DEBDHN CC(COC(=O)c1occc1NC(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000496283475 283396026 /nfs/dbraw/zinc/39/60/26/283396026.db2.gz MCVAZELMYYFAPG-QMMMGPOBSA-N 0 3 314.294 2.449 20 5 DEBDHN CC(C)(C)N1CC[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000597922546 359041618 /nfs/dbraw/zinc/04/16/18/359041618.db2.gz FYAKBBDCMGOMLT-CYBMUJFWSA-N 0 3 305.378 2.126 20 5 DEBDHN CC(C)[C@@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CCN1 ZINC000598572011 359245765 /nfs/dbraw/zinc/24/57/65/359245765.db2.gz DKTHWUMZDCYOMB-AWEZNQCLSA-N 0 3 323.418 2.143 20 5 DEBDHN CSc1ccc(C(=O)N2CCN[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000598574966 359247129 /nfs/dbraw/zinc/24/71/29/359247129.db2.gz NOJJOUSLESAYDF-LBPRGKRZSA-N 0 3 323.418 2.387 20 5 DEBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598916293 359356937 /nfs/dbraw/zinc/35/69/37/359356937.db2.gz WXJFVXZTXHPGFE-DTWKUNHWSA-N 0 3 312.757 2.462 20 5 DEBDHN CC(=O)NC[C@@H]1CCCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000599701333 359578597 /nfs/dbraw/zinc/57/85/97/359578597.db2.gz IOGZCBVTCJMEOI-INIZCTEOSA-N 0 3 305.378 2.128 20 5 DEBDHN C[C@H]1COCCN1CCNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429247228 237361005 /nfs/dbraw/zinc/36/10/05/237361005.db2.gz VKCPAWFYQRPOQR-ZDUSSCGKSA-N 0 3 307.394 2.140 20 5 DEBDHN CC[C@H]1CN(C)CCCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000601191063 359958201 /nfs/dbraw/zinc/95/82/01/359958201.db2.gz GNNRFWINWYRZEF-JTQLQIEISA-N 0 3 309.395 2.225 20 5 DEBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@H]2CC[C@H](O)C2)c1 ZINC000188846179 200311395 /nfs/dbraw/zinc/31/13/95/200311395.db2.gz UQWWTSPCDYNKCT-CABZTGNLSA-N 0 3 316.304 2.447 20 5 DEBDHN COC(=O)c1ccc(CNCCc2cccc([N+](=O)[O-])c2)n1C ZINC000602015818 360239710 /nfs/dbraw/zinc/23/97/10/360239710.db2.gz RHQUCVXPBNBKLE-UHFFFAOYSA-N 0 3 317.345 2.052 20 5 DEBDHN O=[N+]([O-])c1cc2c(cc1CNC[C@H]1CCSC1)OCCO2 ZINC000619198328 363731563 /nfs/dbraw/zinc/73/15/63/363731563.db2.gz YGRWBLFHECVKNB-SNVBAGLBSA-N 0 3 310.375 2.209 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)C[C@H]1CCCC(=O)N1 ZINC000602548304 360427030 /nfs/dbraw/zinc/42/70/30/360427030.db2.gz DTKCBJHTCSZKRV-DGCLKSJQSA-N 0 3 321.377 2.140 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(OC(C)(C)C)CC1 ZINC000602787113 360553784 /nfs/dbraw/zinc/55/37/84/360553784.db2.gz ICGYXWJDWSYHKE-UHFFFAOYSA-N 0 3 310.398 2.379 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCN(C)CC12CCCCC2 ZINC000602776964 360548243 /nfs/dbraw/zinc/54/82/43/360548243.db2.gz BYLMLQDWEVTDCV-UHFFFAOYSA-N 0 3 321.425 2.050 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC1(N(C)C)CC1 ZINC000603007610 360665366 /nfs/dbraw/zinc/66/53/66/360665366.db2.gz ONEJNYJCZDVROO-UHFFFAOYSA-N 0 3 322.365 2.209 20 5 DEBDHN CC(C)(C)[C@H](N)c1cn(Cc2c(F)cccc2[N+](=O)[O-])nn1 ZINC000603203303 360745772 /nfs/dbraw/zinc/74/57/72/360745772.db2.gz NJJPJIPSTLTHOF-CYBMUJFWSA-N 0 3 307.329 2.420 20 5 DEBDHN O=[N+]([O-])c1cnc(NC[C@H]2CSCCN2)c(C(F)(F)F)c1 ZINC000603419686 360826695 /nfs/dbraw/zinc/82/66/95/360826695.db2.gz PKKFQFXZCUUTHI-ZETCQYMHSA-N 0 3 322.312 2.126 20 5 DEBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@H](O)C23CCCC3)c1 ZINC000292710104 223212508 /nfs/dbraw/zinc/21/25/08/223212508.db2.gz LJYWYMCEUBWNGH-CABCVRRESA-N 0 3 306.362 2.008 20 5 DEBDHN CC1CCN(CCNC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000193490664 201061353 /nfs/dbraw/zinc/06/13/53/201061353.db2.gz UBQHQGXBFRHHHK-UHFFFAOYSA-N 0 3 306.366 2.448 20 5 DEBDHN CC[C@H]1CN(C)CCCN1C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000619567157 363828045 /nfs/dbraw/zinc/82/80/45/363828045.db2.gz WUWMLMAEHMGBKN-ZDUSSCGKSA-N 0 3 321.377 2.160 20 5 DEBDHN C[C@@H](NC[C@H](O)COCC(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000293036613 223364357 /nfs/dbraw/zinc/36/43/57/223364357.db2.gz WSQPPYLZPIVLJL-ZJUUUORDSA-N 0 3 322.283 2.185 20 5 DEBDHN O=[N+]([O-])c1ccccc1OCCN1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451703302 243340067 /nfs/dbraw/zinc/34/00/67/243340067.db2.gz JHKVRMYPHYDKKK-RBSFLKMASA-N 0 3 320.389 2.457 20 5 DEBDHN O=[N+]([O-])c1ccc(OCCN2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)cc1 ZINC000451709508 243341610 /nfs/dbraw/zinc/34/16/10/243341610.db2.gz OMKYWFCBPFYUGY-YCPHGPKFSA-N 0 3 320.389 2.457 20 5 DEBDHN O=[N+]([O-])c1ccc(OCCN2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)cc1 ZINC000451709502 243343386 /nfs/dbraw/zinc/34/33/86/243343386.db2.gz OMKYWFCBPFYUGY-FMKPAKJESA-N 0 3 320.389 2.457 20 5 DEBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000160231826 197393870 /nfs/dbraw/zinc/39/38/70/197393870.db2.gz UOGQWGPQQIXZLN-DOMZBBRYSA-N 0 3 313.361 2.317 20 5 DEBDHN C[C@H](NC(=O)N[C@H]1CCCN(C)[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000454774820 246143100 /nfs/dbraw/zinc/14/31/00/246143100.db2.gz FECKVBRVLLSDSS-ZOWXZIJZSA-N 0 3 320.393 2.438 20 5 DEBDHN CCN1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000105599356 194113911 /nfs/dbraw/zinc/11/39/11/194113911.db2.gz UCUVUHHYDKDXJU-UHFFFAOYSA-N 0 3 321.377 2.160 20 5 DEBDHN C[C@@H](C(=O)N1CC[C@@H](N2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000558689881 291902150 /nfs/dbraw/zinc/90/21/50/291902150.db2.gz LEWCNJUNENHFFS-CZUORRHYSA-N 0 3 317.389 2.395 20 5 DEBDHN C[C@H](N[C@@H](C)[C@@H]1CCCOC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000355359558 133020807 /nfs/dbraw/zinc/02/08/07/133020807.db2.gz ZNFJEWGACKSVOZ-RWMBFGLXSA-N 0 3 321.377 2.327 20 5 DEBDHN C[C@H](NC[C@H]1CN2CCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000368536885 133277222 /nfs/dbraw/zinc/27/72/22/133277222.db2.gz FLROCLRCMSMQHU-RCBQFDQVSA-N 0 3 305.378 2.109 20 5 DEBDHN CN(C(=O)CN1CCC[C@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000377547139 133334040 /nfs/dbraw/zinc/33/40/40/133334040.db2.gz WMIYFJPXSOBVLD-HNNXBMFYSA-N 0 3 303.362 2.432 20 5 DEBDHN CCO[C@@H]1COCC[C@H]1N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563419761 292055896 /nfs/dbraw/zinc/05/58/96/292055896.db2.gz YWSADMUJIWLTMB-SQWLQELKSA-N 0 3 306.362 2.366 20 5 DEBDHN O=c1ccc([N+](=O)[O-])cn1CCNC1(c2ccccc2)CCC1 ZINC000090552911 296532431 /nfs/dbraw/zinc/53/24/31/296532431.db2.gz RUIFFJRLTUPYRA-UHFFFAOYSA-N 0 3 313.357 2.426 20 5 DEBDHN C[C@H](C(=O)NC1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000184766683 144949672 /nfs/dbraw/zinc/94/96/72/144949672.db2.gz GFFSNHSAISCUDI-JTQLQIEISA-N 0 3 309.341 2.048 20 5 DEBDHN C[C@H](NC[C@H]1CN2CCC[C@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000316751260 145363672 /nfs/dbraw/zinc/36/36/72/145363672.db2.gz HXECMHDWEZLRFA-RCBQFDQVSA-N 0 3 305.378 2.109 20 5 DEBDHN C[C@@H]1C[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CCN1C ZINC000322233953 145378609 /nfs/dbraw/zinc/37/86/09/145378609.db2.gz YSMKLPWWASUTKG-PWSUYJOCSA-N 0 3 318.377 2.374 20 5 DEBDHN C[C@H]1[C@H](C)N(CCCOc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000356975193 147014094 /nfs/dbraw/zinc/01/40/94/147014094.db2.gz JWXSCKKMQVWXOX-KBPBESRZSA-N 0 3 307.394 2.388 20 5 DEBDHN C[C@H](N[C@H]1CCN(c2cnn(C)c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000371878003 148148630 /nfs/dbraw/zinc/14/86/30/148148630.db2.gz DFEPKPUYJGJBCE-JSGCOSHPSA-N 0 3 315.377 2.258 20 5 DEBDHN C[C@H]1C[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000127559767 401740047 /nfs/dbraw/zinc/74/00/47/401740047.db2.gz OSOKQAYVSWZHOW-JSGCOSHPSA-N 0 3 317.389 2.269 20 5 DEBDHN CN(CC1CCC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000111298573 401709006 /nfs/dbraw/zinc/70/90/06/401709006.db2.gz ZXBLLZKOBGHYAS-OAHLLOKOSA-N 0 3 303.362 2.432 20 5 DEBDHN Cc1ccc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000076714514 401799670 /nfs/dbraw/zinc/79/96/70/401799670.db2.gz HRRZXYMJRBTKOD-UHFFFAOYSA-N 0 3 313.357 2.423 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000115436333 401827795 /nfs/dbraw/zinc/82/77/95/401827795.db2.gz GBXHTUILTMUJAJ-LBPRGKRZSA-N 0 3 321.377 2.017 20 5 DEBDHN CCOC(=O)c1ccnc(NC[C@@H]2CCCN2CC)c1[N+](=O)[O-] ZINC000077902911 401836574 /nfs/dbraw/zinc/83/65/74/401836574.db2.gz YHJLMFYFQAUMKP-NSHDSACASA-N 0 3 322.365 2.063 20 5 DEBDHN CC(C)N(CCO)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000085860758 401919974 /nfs/dbraw/zinc/91/99/74/401919974.db2.gz LZHAGLUDUIWWIX-UHFFFAOYSA-N 0 3 319.361 2.495 20 5 DEBDHN CCC[C@H](NCCCS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000038047447 401921572 /nfs/dbraw/zinc/92/15/72/401921572.db2.gz LDHBAVOTUUWDIS-AWEZNQCLSA-N 0 3 314.407 2.460 20 5 DEBDHN Cc1c(CC(=O)NC[C@H](C)N(C)C2CC2)cccc1[N+](=O)[O-] ZINC000119715577 401964124 /nfs/dbraw/zinc/96/41/24/401964124.db2.gz BURCZXPBHQTYGK-NSHDSACASA-N 0 3 305.378 2.045 20 5 DEBDHN CCOC(=O)[C@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000046037591 401964709 /nfs/dbraw/zinc/96/47/09/401964709.db2.gz VLMPUPPWIWOSSH-ZDUSSCGKSA-N 0 3 322.361 2.249 20 5 DEBDHN CCCCOCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000121316783 402027712 /nfs/dbraw/zinc/02/77/12/402027712.db2.gz UPHHMDFDQQCRGP-CYBMUJFWSA-N 0 3 308.382 2.293 20 5 DEBDHN CCCNC(=O)[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000050995609 402031284 /nfs/dbraw/zinc/03/12/84/402031284.db2.gz DBKJRESKSOIOLY-AWEZNQCLSA-N 0 3 305.378 2.333 20 5 DEBDHN COc1ccc(CN2CCN(CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000052165645 402040093 /nfs/dbraw/zinc/04/00/93/402040093.db2.gz QHXFEDWQSDYOFH-UHFFFAOYSA-N 0 3 305.378 2.131 20 5 DEBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000055400518 402081105 /nfs/dbraw/zinc/08/11/05/402081105.db2.gz PTXZAWQDAOETLI-VXGBXAGGSA-N 0 3 320.393 2.027 20 5 DEBDHN C[C@@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])N(C)C1CC1 ZINC000068218646 402187689 /nfs/dbraw/zinc/18/76/89/402187689.db2.gz LHXSNCXQQGQQFV-VIFPVBQESA-N 0 3 311.769 2.461 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC1CCN(C)CC1 ZINC000103453265 402189377 /nfs/dbraw/zinc/18/93/77/402189377.db2.gz ZUJASJNWYCCMNQ-UHFFFAOYSA-N 0 3 321.377 2.017 20 5 DEBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNCCOCCO)s1 ZINC000067697612 402168672 /nfs/dbraw/zinc/16/86/72/402168672.db2.gz QWWKEGCCEPEWJM-UHFFFAOYSA-N 0 3 322.386 2.422 20 5 DEBDHN O=[N+]([O-])c1ccc(CN2CCC[C@@H](CN3CCOCC3)C2)cc1 ZINC000069855787 402247590 /nfs/dbraw/zinc/24/75/90/402247590.db2.gz JJSACKZICBEYRM-INIZCTEOSA-N 0 3 319.405 2.139 20 5 DEBDHN Cc1cc(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)cc([N+](=O)[O-])c1 ZINC000177189452 402379821 /nfs/dbraw/zinc/37/98/21/402379821.db2.gz NPQHNFSYYZVHBX-YPMHNXCESA-N 0 3 303.362 2.258 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)c1 ZINC000164092600 402459603 /nfs/dbraw/zinc/45/96/03/402459603.db2.gz ANNJSRYDJRTBHK-HIFRSBDPSA-N 0 3 317.389 2.460 20 5 DEBDHN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC[C@H]1CN1CCCC1 ZINC000170684456 402514444 /nfs/dbraw/zinc/51/44/44/402514444.db2.gz VJOWDQXLPDNDGA-ZDUSSCGKSA-N 0 3 321.352 2.434 20 5 DEBDHN C[C@@H](NCCNC(=O)c1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000178641964 402520660 /nfs/dbraw/zinc/52/06/60/402520660.db2.gz JGIKVTFCFTYNQN-LLVKDONJSA-N 0 3 303.318 2.268 20 5 DEBDHN COC(=O)C[C@H]1CCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000179126242 402573968 /nfs/dbraw/zinc/57/39/68/402573968.db2.gz LORWGMKBHBVIJI-GFCCVEGCSA-N 0 3 308.334 2.001 20 5 DEBDHN C[C@@H](NC(=O)N1CCN2CCC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000252442029 402653066 /nfs/dbraw/zinc/65/30/66/402653066.db2.gz GBUKYSQZPLVKIU-DOMZBBRYSA-N 0 3 318.377 2.145 20 5 DEBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000255354086 402684972 /nfs/dbraw/zinc/68/49/72/402684972.db2.gz WLXDBLITFKDEEX-YYRKOSNBSA-N 0 3 317.389 2.408 20 5 DEBDHN CN(C)c1ccncc1CNCCc1ccc([N+](=O)[O-])cc1 ZINC000183303776 402754395 /nfs/dbraw/zinc/75/43/95/402754395.db2.gz XDBVXELRKLQUMC-UHFFFAOYSA-N 0 3 300.362 2.388 20 5 DEBDHN C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000193896171 402777501 /nfs/dbraw/zinc/77/75/01/402777501.db2.gz RNUZAQTZTRCGFE-LRDDRELGSA-N 0 3 313.357 2.342 20 5 DEBDHN O=[N+]([O-])c1cccc(OCCN[C@@H](CO)c2ccccc2)c1 ZINC000182894668 402725198 /nfs/dbraw/zinc/72/51/98/402725198.db2.gz ZSKVGWDFDJRDKQ-INIZCTEOSA-N 0 3 302.330 2.297 20 5 DEBDHN Cc1cc(C(=O)N2CCCN(C(C)C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000264233683 402860547 /nfs/dbraw/zinc/86/05/47/402860547.db2.gz NAPLEYPVMIDZDC-UHFFFAOYSA-N 0 3 320.393 2.042 20 5 DEBDHN COC[C@@H](NC/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000278787095 402871099 /nfs/dbraw/zinc/87/10/99/402871099.db2.gz ZWLUTZUMFYRDGO-JWLFTQPQSA-N 0 3 306.362 2.392 20 5 DEBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)C1CCN(C2CC2)CC1 ZINC000278842053 402877040 /nfs/dbraw/zinc/87/70/40/402877040.db2.gz WGXGFLJCNRBISS-UHFFFAOYSA-N 0 3 317.389 2.128 20 5 DEBDHN CS[C@@H]1CN(C(=O)c2c(C)cccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000278859496 402878905 /nfs/dbraw/zinc/87/89/05/402878905.db2.gz XBFUXABLKBEHJS-CHWSQXEVSA-N 0 3 323.418 2.021 20 5 DEBDHN CCc1ccc(C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000272441425 402937409 /nfs/dbraw/zinc/93/74/09/402937409.db2.gz IRQQUZRAOJKANP-BBRMVZONSA-N 0 3 317.389 2.323 20 5 DEBDHN CN(CCSc1ncc([N+](=O)[O-])c(N)n1)Cc1ccccc1 ZINC000279175113 402912264 /nfs/dbraw/zinc/91/22/64/402912264.db2.gz UZYOFZXHVIFVOJ-UHFFFAOYSA-N 0 3 319.390 2.191 20 5 DEBDHN CN(C)[C@]1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000267193797 403023875 /nfs/dbraw/zinc/02/38/75/403023875.db2.gz PFCFDCWJRQALGJ-AWEZNQCLSA-N 0 3 324.406 2.154 20 5 DEBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@@H](CO)c2ccc(F)cc2)c1 ZINC000273137144 402975575 /nfs/dbraw/zinc/97/55/75/402975575.db2.gz SUMGNHYJSOAZGW-HOTGVXAUSA-N 0 3 320.320 2.091 20 5 DEBDHN O=[N+]([O-])c1ccc(OCCN2CC[C@@H](n3cccn3)C2)cc1 ZINC000291724322 404493977 /nfs/dbraw/zinc/49/39/77/404493977.db2.gz JFDSNMVFSFTVTR-CQSZACIVSA-N 0 3 302.334 2.117 20 5 DEBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000268221350 403063216 /nfs/dbraw/zinc/06/32/16/403063216.db2.gz QIEOOBOUTXQRJX-YJIJIMRDSA-N 0 3 315.373 2.207 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)c1 ZINC000268234731 403064722 /nfs/dbraw/zinc/06/47/22/403064722.db2.gz SVYVACOYXMSWME-RISCZKNCSA-N 0 3 303.362 2.116 20 5 DEBDHN Cc1c(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000268238855 403065273 /nfs/dbraw/zinc/06/52/73/403065273.db2.gz OLPWAEQSHQRFQI-IINYFYTJSA-N 0 3 303.362 2.116 20 5 DEBDHN C[C@@H](NC(=O)NCC1(N(C)C)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000275538732 403103512 /nfs/dbraw/zinc/10/35/12/403103512.db2.gz YLJVQQJFCGKBNB-GFCCVEGCSA-N 0 3 320.393 2.439 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)NC1(CN(C)C)CCC1 ZINC000282006597 403112533 /nfs/dbraw/zinc/11/25/33/403112533.db2.gz QWXZMXVWWQDWFD-UHFFFAOYSA-N 0 3 322.365 2.209 20 5 DEBDHN Cc1cc(N2CCC(NCc3csc([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000275965803 403135896 /nfs/dbraw/zinc/13/58/96/403135896.db2.gz GUAILKOUYMZAKH-UHFFFAOYSA-N 0 3 321.406 2.446 20 5 DEBDHN CCC[C@@]1(CO)CCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000277825308 403261104 /nfs/dbraw/zinc/26/11/04/403261104.db2.gz RBUMDNSKTIVGKZ-HOTGVXAUSA-N 0 3 308.378 2.255 20 5 DEBDHN CCC[C@]1(CO)CCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000277825320 403261267 /nfs/dbraw/zinc/26/12/67/403261267.db2.gz RBUMDNSKTIVGKZ-JKSUJKDBSA-N 0 3 308.378 2.255 20 5 DEBDHN CN1CC[C@@]2(CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)C1 ZINC000292383659 403358894 /nfs/dbraw/zinc/35/88/94/403358894.db2.gz SVLKKLJFPJSUHS-CQSZACIVSA-N 0 3 306.322 2.035 20 5 DEBDHN O=C(N[C@@H]1CCN(C2CC2)C1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342887259 403385847 /nfs/dbraw/zinc/38/58/47/403385847.db2.gz KMXBPFIRYBSBAC-SNVBAGLBSA-N 0 3 314.345 2.043 20 5 DEBDHN CC(C)(CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21)OCCO ZINC000287288576 403567874 /nfs/dbraw/zinc/56/78/74/403567874.db2.gz JZDZBKCTIDBRFZ-HNNXBMFYSA-N 0 3 308.378 2.349 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C2=CCN(C)CC2)c1 ZINC000272933648 292283635 /nfs/dbraw/zinc/28/36/35/292283635.db2.gz LFVIKSWYFDUUCU-GFCCVEGCSA-N 0 3 303.362 2.283 20 5 DEBDHN CCOC(=O)C[C@H](C)N(C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000343692341 403695630 /nfs/dbraw/zinc/69/56/30/403695630.db2.gz USBDUUJBIDYZCM-NSHDSACASA-N 0 3 310.350 2.377 20 5 DEBDHN Cc1ccc(C(=O)N2CC[C@]3(C2)CCCN(C)C3)cc1[N+](=O)[O-] ZINC000294332408 403705251 /nfs/dbraw/zinc/70/52/51/403705251.db2.gz XNXSKEURDFFFNH-QGZVFWFLSA-N 0 3 317.389 2.461 20 5 DEBDHN CC(C)CCC1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000305069528 403817800 /nfs/dbraw/zinc/81/78/00/403817800.db2.gz IXNKKIRIDPYSOL-INIZCTEOSA-N 0 3 324.425 2.300 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000341205975 403832187 /nfs/dbraw/zinc/83/21/87/403832187.db2.gz RYTPKGNYOBWTGS-WDEREUQCSA-N 0 3 322.365 2.208 20 5 DEBDHN COc1cc(C[NH2+]C[C@H]2CCC[C@@H]2OC)c([N+](=O)[O-])cc1[O-] ZINC000341271772 403878600 /nfs/dbraw/zinc/87/86/00/403878600.db2.gz VZSXWBVDNAAXTD-YGRLFVJLSA-N 0 3 310.350 2.214 20 5 DEBDHN CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@@H]1CC=CCC1 ZINC000344071362 403889118 /nfs/dbraw/zinc/88/91/18/403889118.db2.gz RZPGAKKGSHDQHI-GFCCVEGCSA-N 0 3 303.362 2.482 20 5 DEBDHN O=C(NC1CCN(C2CC2)CC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344192041 403967141 /nfs/dbraw/zinc/96/71/41/403967141.db2.gz WAMNLDHAQUCDCC-UHFFFAOYSA-N 0 3 307.325 2.091 20 5 DEBDHN CO[C@](C)([C@H](C)NCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000411977605 404039956 /nfs/dbraw/zinc/03/99/56/404039956.db2.gz YEFKDUSAGUAJCL-MEDUHNTESA-N 0 3 321.377 2.327 20 5 DEBDHN COc1cccc(C2(NCCn3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000352187504 404201637 /nfs/dbraw/zinc/20/16/37/404201637.db2.gz SHTYQVVORKSYOS-UHFFFAOYSA-N 0 3 302.334 2.079 20 5 DEBDHN C[C@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCCOC1 ZINC000355178946 404261768 /nfs/dbraw/zinc/26/17/68/404261768.db2.gz PWMOLXVQEZUHSY-QWRGUYRKSA-N 0 3 304.350 2.376 20 5 DEBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@@H](Oc3ccccc3)C2)c1 ZINC000369999603 404299636 /nfs/dbraw/zinc/29/96/36/404299636.db2.gz VOAXKDBMHGERBQ-MRXNPFEDSA-N 0 3 316.361 2.335 20 5 DEBDHN CN1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000297884293 404651290 /nfs/dbraw/zinc/65/12/90/404651290.db2.gz NPQMGPHJTVWCPD-UHFFFAOYSA-N 0 3 316.361 2.387 20 5 DEBDHN CN(CCN(C)C1CC1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000351541161 404634557 /nfs/dbraw/zinc/63/45/57/404634557.db2.gz CWZMLUNLTJSSGT-UHFFFAOYSA-N 0 3 317.349 2.175 20 5 DEBDHN CCN1C[C@H](C)N(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000330589966 404694521 /nfs/dbraw/zinc/69/45/21/404694521.db2.gz URQBILBJFIUIGZ-NEPJUHHUSA-N 0 3 320.393 2.393 20 5 DEBDHN CC(C)c1ccc(CNC[C@H]2CC[C@H](CO)O2)cc1[N+](=O)[O-] ZINC000353693648 404924846 /nfs/dbraw/zinc/92/48/46/404924846.db2.gz XLRSWIYWUAMIRX-ZIAGYGMSSA-N 0 3 308.378 2.348 20 5 DEBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCC1(N(C)C)CC1 ZINC000419012882 405219653 /nfs/dbraw/zinc/21/96/53/405219653.db2.gz XQGZMKDUSUNSAA-UHFFFAOYSA-N 0 3 307.350 2.196 20 5 DEBDHN Cc1cc(N2CCN[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420188624 405293142 /nfs/dbraw/zinc/29/31/42/405293142.db2.gz FPFHHHCYIZLDAO-GFCCVEGCSA-N 0 3 313.361 2.158 20 5 DEBDHN C[C@H](NC(=O)N(C)C[C@H]1CCCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000420843983 405394418 /nfs/dbraw/zinc/39/44/18/405394418.db2.gz MYQTVUXYXFZKCA-SWLSCSKDSA-N 0 3 320.393 2.391 20 5 DEBDHN CN(C[C@H]1CCCN1C)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000420643269 405366783 /nfs/dbraw/zinc/36/67/83/405366783.db2.gz XDLQMDVFKHYNJU-SECBINFHSA-N 0 3 307.379 2.130 20 5 DEBDHN CCO[C@@H]1C[C@H]1N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000577702950 405495237 /nfs/dbraw/zinc/49/52/37/405495237.db2.gz SPQIJHBXTIFXES-ZLKJLUDKSA-N 0 3 307.350 2.079 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C[C@@H]1CCCN1C ZINC000421028291 405435340 /nfs/dbraw/zinc/43/53/40/405435340.db2.gz BHDPSBDYSJWJSL-ZDUSSCGKSA-N 0 3 306.366 2.461 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1CN[C@H](C)C1(OC)CCOCC1 ZINC000421042838 405439540 /nfs/dbraw/zinc/43/95/40/405439540.db2.gz ZRSAZCGHNSXSNG-GFCCVEGCSA-N 0 3 324.377 2.277 20 5 DEBDHN CCO[C@@H]1C[C@@H]1N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000577702949 405494454 /nfs/dbraw/zinc/49/44/54/405494454.db2.gz SPQIJHBXTIFXES-LEWSCRJBSA-N 0 3 307.350 2.079 20 5 DEBDHN CN(C)CC(C)(C)NC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493787477 405556889 /nfs/dbraw/zinc/55/68/89/405556889.db2.gz VMTNSUIIRIAKLA-VURMDHGXSA-N 0 3 309.341 2.204 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NCCN1CCCC1(C)C ZINC000457047925 405669615 /nfs/dbraw/zinc/66/96/15/405669615.db2.gz CSKBJZGVMJLHAR-UHFFFAOYSA-N 0 3 321.377 2.208 20 5 DEBDHN CC(C)N1CC[C@@H](N(C)C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000457093701 405694584 /nfs/dbraw/zinc/69/45/84/405694584.db2.gz YXESCNJEIHQILM-CQSZACIVSA-N 0 3 305.378 2.078 20 5 DEBDHN CC[C@@H]1OCC[C@H]1N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000459782364 406043779 /nfs/dbraw/zinc/04/37/79/406043779.db2.gz UUIRHANKUKNHSH-HONMWMINSA-N 0 3 307.350 2.079 20 5 DEBDHN CCc1nncn1CCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000518397631 406140773 /nfs/dbraw/zinc/14/07/73/406140773.db2.gz PHTRVWYUTIFKEB-CYBMUJFWSA-N 0 3 301.350 2.026 20 5 DEBDHN CN1CC[C@@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000568034674 406182941 /nfs/dbraw/zinc/18/29/41/406182941.db2.gz CAUQKDYMWJJWBA-RNCFNFMXSA-N 0 3 324.768 2.416 20 5 DEBDHN CC[C@@H](C)NC(=O)CCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000519180649 406185184 /nfs/dbraw/zinc/18/51/84/406185184.db2.gz ZJNFNQDKBPRZHT-RISCZKNCSA-N 0 3 305.378 2.477 20 5 DEBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CCN(C2CC2)C[C@H](C)C1 ZINC000519744754 406245569 /nfs/dbraw/zinc/24/55/69/406245569.db2.gz WKNIDMXEOLCEHR-NSHDSACASA-N 0 3 307.398 2.040 20 5 DEBDHN CCN(CC)C(=O)C[C@@H](C)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000536859192 406280545 /nfs/dbraw/zinc/28/05/45/406280545.db2.gz TTWDZCBCCXWQMS-CYBMUJFWSA-N 0 3 323.393 2.210 20 5 DEBDHN C[C@@H](C(=O)N(C)C[C@@H]1CCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000569684565 406288990 /nfs/dbraw/zinc/28/89/90/406288990.db2.gz WSSSOXBXZTWFIT-DOMZBBRYSA-N 0 3 305.378 2.251 20 5 DEBDHN Cc1cc(C(=O)N2CCCC[C@@H]2CN(C)C)ccc1[N+](=O)[O-] ZINC000520497104 406297155 /nfs/dbraw/zinc/29/71/55/406297155.db2.gz JTKRNZVSULENPV-CQSZACIVSA-N 0 3 305.378 2.460 20 5 DEBDHN CCc1nncn1CCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000545265991 406308874 /nfs/dbraw/zinc/30/88/74/406308874.db2.gz ZOMNDEPKSFITBC-GFCCVEGCSA-N 0 3 303.366 2.408 20 5 DEBDHN C[C@H]1CCN(CCNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000491917299 406777586 /nfs/dbraw/zinc/77/75/86/406777586.db2.gz YECBVIPGEQXGDJ-SZZPACECSA-N 0 3 303.362 2.066 20 5 DEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCc2cccs2)c1 ZINC000555516237 406845947 /nfs/dbraw/zinc/84/59/47/406845947.db2.gz SUJVFLCYZGKTHU-LBPRGKRZSA-N 0 3 308.359 2.186 20 5 DEBDHN C[C@H](C(=O)N(C)[C@@H]1CCN(C)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000555312660 406840967 /nfs/dbraw/zinc/84/09/67/406840967.db2.gz SJDFANPZIQAFHI-DVOMOZLQSA-N 0 3 319.405 2.497 20 5 DEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCc2ccc(F)cc2)c1 ZINC000555516252 406845433 /nfs/dbraw/zinc/84/54/33/406845433.db2.gz UDKJPTQEEDXWNZ-OAHLLOKOSA-N 0 3 320.320 2.263 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@]1(O)CCOC1)CCCC2 ZINC000417307140 229005121 /nfs/dbraw/zinc/00/51/21/229005121.db2.gz FIVQBZXOQJYMAL-JKSUJKDBSA-N 0 3 306.362 2.103 20 5 DEBDHN C[C@H]1C[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCN1C ZINC000334042193 269009959 /nfs/dbraw/zinc/00/99/59/269009959.db2.gz IERDAKNBHRTDRE-GXSJLCMTSA-N 0 3 311.769 2.461 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(NC[C@@H](O)CN2CCC(C)CC2)c1 ZINC000338666189 274118232 /nfs/dbraw/zinc/11/82/32/274118232.db2.gz NPJLGUDOEHROQE-CYBMUJFWSA-N 0 3 323.393 2.108 20 5 DEBDHN C[C@@H](Nc1ncc([N+](=O)[O-])c(N)n1)[C@@H](c1ccccc1)N(C)C ZINC000281002411 274264876 /nfs/dbraw/zinc/26/48/76/274264876.db2.gz PSEQKPOQTFFIJJ-MFKMUULPSA-N 0 3 316.365 2.070 20 5 DEBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000164602121 277182659 /nfs/dbraw/zinc/18/26/59/277182659.db2.gz KMPVUURIRVLTMO-HIFRSBDPSA-N 0 3 303.362 2.151 20 5 DEBDHN C[C@@H]1OCC[C@]1(O)CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000278695855 279055658 /nfs/dbraw/zinc/05/56/58/279055658.db2.gz HFQIZQQXVBPPEZ-CXMBCZLWSA-N 0 3 320.389 2.447 20 5 DEBDHN C[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N(C)C ZINC000266276563 279345307 /nfs/dbraw/zinc/34/53/07/279345307.db2.gz SCDBWYADBRUFSI-MRVPVSSYSA-N 0 3 319.283 2.294 20 5 DEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](CO)CC(F)(F)F ZINC000449205061 279382402 /nfs/dbraw/zinc/38/24/02/279382402.db2.gz KNXCSUHQUVYBFQ-MWLCHTKSSA-N 0 3 306.284 2.429 20 5 DEBDHN CN(CC1CCN(C)CC1)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000103453695 281652453 /nfs/dbraw/zinc/65/24/53/281652453.db2.gz ICBINOZZRKAMMW-VOTSOKGWSA-N 0 3 317.389 2.408 20 5 DEBDHN CNC(=O)C1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182620879 290358445 /nfs/dbraw/zinc/35/84/45/290358445.db2.gz IAPREKDKNYMWMT-GFCCVEGCSA-N 0 3 305.378 2.422 20 5 DEBDHN COc1cccc(C(=O)N[C@@H](C)CN2CCCCC2)c1[N+](=O)[O-] ZINC000195419916 295288199 /nfs/dbraw/zinc/28/81/99/295288199.db2.gz QGDNQHQMNUMVEG-LBPRGKRZSA-N 0 3 321.377 2.208 20 5 DEBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000288444046 300421580 /nfs/dbraw/zinc/42/15/80/300421580.db2.gz OYOOPEIATIRKNY-QWHCGFSZSA-N 0 3 303.362 2.294 20 5 DEBDHN C[C@H](C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000573744980 326088361 /nfs/dbraw/zinc/08/83/61/326088361.db2.gz WGNOWWYVCFZUKK-OBJOEFQTSA-N 0 3 317.389 2.440 20 5 DEBDHN CCOC1CC(O)(CN[C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000574146867 326127089 /nfs/dbraw/zinc/12/70/89/326127089.db2.gz MQMGDUMWOVFJGD-XEBKBJJBSA-N 0 3 308.378 2.484 20 5 DEBDHN C[C@@H]1C[C@H](NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CO1 ZINC000576754828 326316370 /nfs/dbraw/zinc/31/63/70/326316370.db2.gz KDZXFCSRGFNXBA-RISCZKNCSA-N 0 3 316.361 2.262 20 5 DEBDHN Cc1ccc(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000584195300 331862564 /nfs/dbraw/zinc/86/25/64/331862564.db2.gz VQWVUXTZMLKCOF-OAHLLOKOSA-N 0 3 316.357 2.433 20 5 DEBDHN COC[C@@](C)(O)CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000583240868 337284605 /nfs/dbraw/zinc/28/46/05/337284605.db2.gz SUSNPCAXYQNQCL-ZBFHGGJFSA-N 0 3 308.378 2.304 20 5 DEBDHN Cc1cc(F)c(NC(=O)N2CCN3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000296637759 533811824 /nfs/dbraw/zinc/81/18/24/533811824.db2.gz DCQBCAAZNJJTAT-LLVKDONJSA-N 0 3 322.340 2.354 20 5 DEBDHN COc1cc(C(=O)NC[C@H](C)N(C)C2CC2)cc([N+](=O)[O-])c1C ZINC000191149456 518130644 /nfs/dbraw/zinc/13/06/44/518130644.db2.gz RQJZCJVHXLSAKD-JTQLQIEISA-N 0 3 321.377 2.124 20 5 DEBDHN CCCN1CCC[C@H]1C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000338168805 519853791 /nfs/dbraw/zinc/85/37/91/519853791.db2.gz HCHLZBMWOONVRQ-INIZCTEOSA-N 0 3 319.405 2.470 20 5 DEBDHN CCCCN1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000338444604 520585321 /nfs/dbraw/zinc/58/53/21/520585321.db2.gz ZAMGDVZRRHSMTG-GFCCVEGCSA-N 0 3 308.382 2.307 20 5 DEBDHN CCN(CCn1cc([N+](=O)[O-])cn1)Cc1ccc2c(c1)OCO2 ZINC000157540669 521183261 /nfs/dbraw/zinc/18/32/61/521183261.db2.gz QOSISIFVGDIPPE-UHFFFAOYSA-N 0 3 318.333 2.042 20 5 DEBDHN CN(C)CCN(Cc1ccco1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000156369591 521751971 /nfs/dbraw/zinc/75/19/71/521751971.db2.gz NUMOCITXNLQBNJ-UHFFFAOYSA-N 0 3 323.374 2.453 20 5 DEBDHN Cc1c(CC(=O)NCCN2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000161707559 525691993 /nfs/dbraw/zinc/69/19/93/525691993.db2.gz BMGWJEAJCDOYRE-CYBMUJFWSA-N 0 3 319.405 2.294 20 5 DEBDHN O=[N+]([O-])c1cccc(OCCN2CCC3(CC2)OCCCO3)c1 ZINC000292887997 534886652 /nfs/dbraw/zinc/88/66/52/534886652.db2.gz CSAZDKAJOZMKIF-UHFFFAOYSA-N 0 3 322.361 2.203 20 5 DEBDHN CC(C)(C)[C@H](CCO)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444686745 526693969 /nfs/dbraw/zinc/69/39/69/526693969.db2.gz SXOHGCJAVUGFTI-ZDUSSCGKSA-N 0 3 306.366 2.358 20 5 DEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC(C2CC2)CC1 ZINC000366329396 527404682 /nfs/dbraw/zinc/40/46/82/527404682.db2.gz MFBCKBCLQQAFTB-OAHLLOKOSA-N 0 3 320.389 2.457 20 5 DEBDHN CC(C)[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCN1C ZINC000444710552 527857192 /nfs/dbraw/zinc/85/71/92/527857192.db2.gz VOWFWBHOCYTZGE-OAHLLOKOSA-N 0 3 317.393 2.243 20 5 DEBDHN CC(C)c1ccc(CN[C@@H](CO)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000447974002 528100976 /nfs/dbraw/zinc/10/09/76/528100976.db2.gz DHNLDCCBKPDQKD-GOEBONIOSA-N 0 3 308.378 2.348 20 5 DEBDHN CC1(C)CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000330808689 529010604 /nfs/dbraw/zinc/01/06/04/529010604.db2.gz AYMUSNMBRNWXKS-CYBMUJFWSA-N 0 3 308.378 2.457 20 5 DEBDHN CCCCN(C)CCNC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000358437082 535221551 /nfs/dbraw/zinc/22/15/51/535221551.db2.gz ANGFIPAPXPUERL-UHFFFAOYSA-N 0 3 322.409 2.434 20 5 DEBDHN CN1CCC2(CCCN2C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000362392906 536349136 /nfs/dbraw/zinc/34/91/36/536349136.db2.gz VKFSEOOFMWSZOT-UHFFFAOYSA-N 0 3 309.391 2.357 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000451599507 536955984 /nfs/dbraw/zinc/95/59/84/536955984.db2.gz XIUHANDTEAJQJB-DOTOQJQBSA-N 0 3 320.389 2.490 20 5 DEBDHN O=[N+]([O-])c1ccc(F)cc1CN1CCN(C2CCOCC2)CC1 ZINC000175489979 623172288 /nfs/dbraw/zinc/17/22/88/623172288.db2.gz MGKMUVAZHMPXSQ-UHFFFAOYSA-N 0 3 323.368 2.031 20 5 DEBDHN C[C@H]1C[C@H](Nc2ccc3nonc3c2[N+](=O)[O-])CN1C1CC1 ZINC000892876886 625683067 /nfs/dbraw/zinc/68/30/67/625683067.db2.gz YPHOEFOYAFJLTG-IUCAKERBSA-N 0 3 303.322 2.168 20 5 DEBDHN COc1c([O-])ccc(C[N@H+](CCO)C2CCCCC2)c1[N+](=O)[O-] ZINC000891396909 624146951 /nfs/dbraw/zinc/14/69/51/624146951.db2.gz GXYAFEQUGCAJIG-UHFFFAOYSA-N 0 3 324.377 2.436 20 5 DEBDHN COc1c([O-])ccc(C[N@@H+](CCO)C2CCCCC2)c1[N+](=O)[O-] ZINC000891396909 624146952 /nfs/dbraw/zinc/14/69/52/624146952.db2.gz GXYAFEQUGCAJIG-UHFFFAOYSA-N 0 3 324.377 2.436 20 5 DEBDHN COc1c(O)ccc(CN(CCO)C2CCCCC2)c1[N+](=O)[O-] ZINC000891396909 624146953 /nfs/dbraw/zinc/14/69/53/624146953.db2.gz GXYAFEQUGCAJIG-UHFFFAOYSA-N 0 3 324.377 2.436 20 5 DEBDHN C[C@](CO)(Cc1ccc(F)cc1)NCc1cccnc1[N+](=O)[O-] ZINC000933444349 624460757 /nfs/dbraw/zinc/46/07/57/624460757.db2.gz LJNDWJHSNKRCDA-MRXNPFEDSA-N 0 3 319.336 2.212 20 5 DEBDHN Cn1ncc([N+](=O)[O-])c1NC[C@@H]1CCCN1Cc1ccccc1 ZINC000892540102 625126563 /nfs/dbraw/zinc/12/65/63/625126563.db2.gz BRPWJUBBOARWAE-AWEZNQCLSA-N 0 3 315.377 2.405 20 5 DEBDHN C[C@H](N[C@@H](C)[C@@H]1CCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000892620724 625199642 /nfs/dbraw/zinc/19/96/42/625199642.db2.gz DPKVMZCWRWIKOG-GMXVVIOVSA-N 0 3 312.391 2.069 20 5 DEBDHN CC(C)N1CCCC[C@@H]1COC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000837578959 650224207 /nfs/dbraw/zinc/22/42/07/650224207.db2.gz SYQSBCDONRWYIT-CYBMUJFWSA-N 0 3 307.350 2.410 20 5 DEBDHN CC(C)C(=O)N[C@H]1C[C@H](CNCc2csc([N+](=O)[O-])c2)C1 ZINC000983184564 636659731 /nfs/dbraw/zinc/65/97/31/636659731.db2.gz BNYIECVDTREXIS-UMSPYCQHSA-N 0 3 311.407 2.297 20 5 DEBDHN COc1cc([N+](=O)[O-])cnc1N[C@H]1CCCN2CCCC[C@@H]12 ZINC000894439754 637040059 /nfs/dbraw/zinc/04/00/59/637040059.db2.gz ZXKSUBASSZNJHK-STQMWFEESA-N 0 3 306.366 2.427 20 5 DEBDHN C[C@H]1[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000928451497 637262502 /nfs/dbraw/zinc/26/25/02/637262502.db2.gz UENBIHAODHCOAQ-FZMZJTMJSA-N 0 3 305.378 2.081 20 5 DEBDHN C[C@H]1CCCN1CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000742242059 638054082 /nfs/dbraw/zinc/05/40/82/638054082.db2.gz RRBFDXRQIVPWFU-JTQLQIEISA-N 0 3 311.769 2.462 20 5 DEBDHN O=[N+]([O-])c1ccc(Cl)cc1CN[C@H]1CNCCC1(F)F ZINC000841075488 650423043 /nfs/dbraw/zinc/42/30/43/650423043.db2.gz RIDIDHQWAIJAKU-NSHDSACASA-N 0 3 305.712 2.335 20 5 DEBDHN CC(=O)c1ccc(N2C[C@H]3CN(C)C[C@@]3(C)C2)c([N+](=O)[O-])c1 ZINC000896912613 639067470 /nfs/dbraw/zinc/06/74/70/639067470.db2.gz ATYXTUGJCBTKKA-CJNGLKHVSA-N 0 3 303.362 2.185 20 5 DEBDHN O=C(CCNc1ccccc1[N+](=O)[O-])OCCN1CCCCC1 ZINC000842054061 650636860 /nfs/dbraw/zinc/63/68/60/650636860.db2.gz IYFJESXEOHWVOM-UHFFFAOYSA-N 0 3 321.377 2.426 20 5 DEBDHN COc1cccc2cc(CNCCn3cc([N+](=O)[O-])cn3)oc21 ZINC000769423164 641237234 /nfs/dbraw/zinc/23/72/34/641237234.db2.gz KELHRSYYAILXJR-UHFFFAOYSA-N 0 3 316.317 2.336 20 5 DEBDHN CN(C)CCN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000773110225 641730303 /nfs/dbraw/zinc/73/03/03/641730303.db2.gz HFBGVOOHGGQQPP-UHFFFAOYSA-N 0 3 311.769 2.414 20 5 DEBDHN Cc1nn(-c2cccc(F)c2)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000842364002 650718529 /nfs/dbraw/zinc/71/85/29/650718529.db2.gz RBUMQQAAZARTMT-SECBINFHSA-N 0 3 307.281 2.142 20 5 DEBDHN CO[C@]1(CNCc2ccc([N+](=O)[O-])c(Cl)c2)CCOC1 ZINC000783676477 643036839 /nfs/dbraw/zinc/03/68/39/643036839.db2.gz GNIWVMBTBRLLMC-ZDUSSCGKSA-N 0 3 300.742 2.143 20 5 DEBDHN COc1cc([C@H](C)N[C@H](C)C[S@@](C)=O)cc([N+](=O)[O-])c1 ZINC000903147672 643273030 /nfs/dbraw/zinc/27/30/30/643273030.db2.gz MEPYKLHWBGJJSL-ZJNREGCTSA-N 0 3 300.380 2.021 20 5 DEBDHN CC[C@](O)(CNCCOc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000905104812 643790971 /nfs/dbraw/zinc/79/09/71/643790971.db2.gz HFKPGMNEFDSFJK-LBPRGKRZSA-N 0 3 322.283 2.267 20 5 DEBDHN CCN1CCCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000910287619 645390483 /nfs/dbraw/zinc/39/04/83/645390483.db2.gz MRBIEWVKDYCWAH-CYBMUJFWSA-N 0 3 305.378 2.460 20 5 DEBDHN CCN1CCCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000910297522 645409177 /nfs/dbraw/zinc/40/91/77/645409177.db2.gz HCDRRSIQPVWMNC-ZDUSSCGKSA-N 0 3 305.378 2.460 20 5 DEBDHN CC(COC(=O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1)[N+](=O)[O-] ZINC000813104233 646729384 /nfs/dbraw/zinc/72/93/84/646729384.db2.gz YMORTPNWFAYQSA-YEPSODPASA-N 0 3 303.236 2.416 20 5 DEBDHN CC(COC(=O)c1cc(N(C)C)nc2ccccc21)[N+](=O)[O-] ZINC000813105294 646729397 /nfs/dbraw/zinc/72/93/97/646729397.db2.gz LMTYGTCLTGNOTN-JTQLQIEISA-N 0 3 303.318 2.123 20 5 DEBDHN CC(C)Cn1ncc(C(=O)OCC(C)[N+](=O)[O-])c1C(F)F ZINC000813109410 646730363 /nfs/dbraw/zinc/73/03/63/646730363.db2.gz JWGTYENCSTXUCK-MRVPVSSYSA-N 0 3 305.281 2.299 20 5 DEBDHN CC(COC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1)[N+](=O)[O-] ZINC000813108405 646730512 /nfs/dbraw/zinc/73/05/12/646730512.db2.gz XZJQSXYUHBTIKW-GBIKHYSHSA-N 0 3 306.318 2.103 20 5 DEBDHN CC(COC(=O)c1cccc(COC2CCOCC2)c1)[N+](=O)[O-] ZINC000813109697 646730645 /nfs/dbraw/zinc/73/06/45/646730645.db2.gz NXMHCPKNCLAKAF-GFCCVEGCSA-N 0 3 323.345 2.204 20 5 DEBDHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])c(Br)c1 ZINC000813112819 646731427 /nfs/dbraw/zinc/73/14/27/646731427.db2.gz UCIPSLSJJVHEHD-ZETCQYMHSA-N 0 3 318.123 2.280 20 5 DEBDHN Cc1cc(-n2c(C)cc(C(=O)OCC(C)[N+](=O)[O-])c2C)no1 ZINC000813113866 646733062 /nfs/dbraw/zinc/73/30/62/646733062.db2.gz VPJBRYNFXZCYJD-SECBINFHSA-N 0 3 307.306 2.213 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000820832317 647927897 /nfs/dbraw/zinc/92/78/97/647927897.db2.gz VWXQPIPFWYYAPW-FZMZJTMJSA-N 0 3 317.389 2.424 20 5 DEBDHN CC(=O)N1C[C@H]2CN([C@@H](C)c3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000821328094 648035043 /nfs/dbraw/zinc/03/50/43/648035043.db2.gz FAIHVWAMCJZODZ-TUKIKUTGSA-N 0 3 303.362 2.066 20 5 DEBDHN CO[C@@H]1CC[C@@H](N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000821354490 648041950 /nfs/dbraw/zinc/04/19/50/648041950.db2.gz GSJDJSOOKGNRLP-GDBMZVCRSA-N 0 3 305.378 2.284 20 5 DEBDHN CN(C)CC1(c2nc(Cc3ccccc3[N+](=O)[O-])no2)CC1 ZINC000923761882 648269819 /nfs/dbraw/zinc/26/98/19/648269819.db2.gz UYZFLEOWBDSFQR-UHFFFAOYSA-N 0 3 302.334 2.162 20 5 DEBDHN CC(C)[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CCN1 ZINC000826762005 648923274 /nfs/dbraw/zinc/92/32/74/648923274.db2.gz CVJRLLYFIKTVFU-OAGGEKHMSA-N 0 3 317.389 2.155 20 5 DEBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCSC[C@@H]2C2CC2)cc1 ZINC000831778978 649642026 /nfs/dbraw/zinc/64/20/26/649642026.db2.gz ZLTWHPCFBLLKDX-CABCVRRESA-N 0 3 308.403 2.456 20 5 DEBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000832690123 649736151 /nfs/dbraw/zinc/73/61/51/649736151.db2.gz CKOSKAYCMMQKRB-GWCFXTLKSA-N 0 3 309.753 2.024 20 5 DEBDHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)c1cc(F)ccc1[N+](=O)[O-] ZINC000847257266 651384677 /nfs/dbraw/zinc/38/46/77/651384677.db2.gz VVUBAAQRRGIFBV-HIFRSBDPSA-N 0 3 321.352 2.481 20 5 DEBDHN O=C1O[C@@H](CNC/C=C\c2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000848578034 651474013 /nfs/dbraw/zinc/47/40/13/651474013.db2.gz MRXYCTGWYBJVRC-MFBWXBCUSA-N 0 3 317.345 2.181 20 5 DEBDHN COC(=O)C1=CC[C@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000858471082 652344883 /nfs/dbraw/zinc/34/48/83/652344883.db2.gz QUIDSKHAUUIBGA-SMDDNHRTSA-N 0 3 302.330 2.434 20 5 DEBDHN CCN1CCCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000853684926 652589487 /nfs/dbraw/zinc/58/94/87/652589487.db2.gz MTZIVYJLXBEUBU-NSHDSACASA-N 0 3 308.338 2.424 20 5 DEBDHN N=C(NOCc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CCCO1 ZINC000853698117 652591118 /nfs/dbraw/zinc/59/11/18/652591118.db2.gz NDHBWQLVGQRJCV-NSHDSACASA-N 0 3 301.249 2.050 20 5 DEBDHN CC(C)(CCc1noc(-c2cc3c(s2)CCNC3)n1)[N+](=O)[O-] ZINC000854158650 652649164 /nfs/dbraw/zinc/64/91/64/652649164.db2.gz ZKFWDNCPISYRGU-UHFFFAOYSA-N 0 3 322.390 2.432 20 5 DEBDHN CC(C)(CCc1noc(C[C@H]2NCc3ccccc32)n1)[N+](=O)[O-] ZINC000854158358 652649187 /nfs/dbraw/zinc/64/91/87/652649187.db2.gz TZQXEUGJNAFNRP-CYBMUJFWSA-N 0 3 316.361 2.445 20 5 DEBDHN C[C@@H]1[C@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCN1C ZINC000928428501 693776716 /nfs/dbraw/zinc/77/67/16/693776716.db2.gz XNSMGBOLFDYZRN-IUODEOHRSA-N 0 3 317.389 2.225 20 5 DEBDHN CC(COC(=O)CCCc1ccc2c(c1)OCCCO2)[N+](=O)[O-] ZINC000860777890 685959971 /nfs/dbraw/zinc/95/99/71/685959971.db2.gz YKWASIQVANUMHI-GFCCVEGCSA-N 0 3 323.345 2.379 20 5 DEBDHN COCCN1CCC[C@H]1COC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000861032516 685987857 /nfs/dbraw/zinc/98/78/57/685987857.db2.gz QNZJYYHRBNDHBJ-AWEZNQCLSA-N 0 3 322.361 2.171 20 5 DEBDHN CN(CCN1CC2(C1)CCOCC2)c1ccc([N+](=O)[O-])cc1 ZINC000866256136 687509920 /nfs/dbraw/zinc/50/99/20/687509920.db2.gz HFWOZIYLOHFPAB-UHFFFAOYSA-N 0 3 305.378 2.143 20 5 DEBDHN CCCN(C(=O)Cc1cccc(F)c1[N+](=O)[O-])[C@@H]1CCN(C)C1 ZINC000869072563 688212526 /nfs/dbraw/zinc/21/25/26/688212526.db2.gz MSYDOYJERMJKFZ-CYBMUJFWSA-N 0 3 323.368 2.219 20 5 DEBDHN O=C(C=C1CCC1)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001020063106 688456027 /nfs/dbraw/zinc/45/60/27/688456027.db2.gz BTSNCIKJIWMTQI-SHTZXODSSA-N 0 3 315.373 2.442 20 5 DEBDHN CN1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CCC1(C)C ZINC000871153671 688736488 /nfs/dbraw/zinc/73/64/88/688736488.db2.gz QJDSEMAWAVXOOQ-UHFFFAOYSA-N 0 3 309.341 2.290 20 5 DEBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000871763341 688862691 /nfs/dbraw/zinc/86/26/91/688862691.db2.gz DOBQLEZNJNNGJH-UONOGXRCSA-N 0 3 304.350 2.295 20 5 DEBDHN CC(=O)N1CCC(N[C@@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872017520 688913833 /nfs/dbraw/zinc/91/38/33/688913833.db2.gz AZMLIZUXJBBPOU-JTQLQIEISA-N 0 3 309.341 2.395 20 5 DEBDHN COC[C@H](O)CCN[C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872054291 688919783 /nfs/dbraw/zinc/91/97/83/688919783.db2.gz SITMBJWFEBWVGH-CMPLNLGQSA-N 0 3 314.407 2.365 20 5 DEBDHN CCC(=O)N1CC[C@@H](NCc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000873079293 689155672 /nfs/dbraw/zinc/15/56/72/689155672.db2.gz VUUVGFVHTBEHBW-CYBMUJFWSA-N 0 3 305.378 2.312 20 5 DEBDHN O=C1NCCC12CCN(C/C=C\c1ccccc1[N+](=O)[O-])CC2 ZINC000877783526 690226725 /nfs/dbraw/zinc/22/67/25/690226725.db2.gz YRHOUPKLGPIRBU-HYXAFXHYSA-N 0 3 315.373 2.210 20 5 DEBDHN CN(C)CCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000882076951 691212282 /nfs/dbraw/zinc/21/22/82/691212282.db2.gz UZYNLXAHKJIHSU-UHFFFAOYSA-N 0 3 309.391 2.141 20 5 DEBDHN O=[N+]([O-])c1ccc2nc(NC[C@@H]3CSCCN3)sc2c1 ZINC000882728567 691350049 /nfs/dbraw/zinc/35/00/49/691350049.db2.gz BNQPNVBWIMXDIN-MRVPVSSYSA-N 0 3 310.404 2.321 20 5 DEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@H]1C[C@H](S(C)(=O)=O)C1 ZINC000883379448 691493820 /nfs/dbraw/zinc/49/38/20/691493820.db2.gz BWRWYPBOAWSQOI-BWIRZDBDSA-N 0 3 324.402 2.163 20 5 DEBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H](N)CC1CC1 ZINC000884101217 691654999 /nfs/dbraw/zinc/65/49/99/691654999.db2.gz RERNEKUADDHZOD-OAHLLOKOSA-N 0 3 305.378 2.459 20 5 DEBDHN COC[C@H](NCc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CCCOC1 ZINC000886916248 692230070 /nfs/dbraw/zinc/23/00/70/692230070.db2.gz RAJCAXHSWZWRGI-JSGCOSHPSA-N 0 3 312.341 2.265 20 5 DEBDHN C[C@@]1([C@@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3)C2)COC(=O)N1 ZINC000932026456 694530683 /nfs/dbraw/zinc/53/06/83/694530683.db2.gz LNAKUZWVJNGLHS-CJNGLKHVSA-N 0 3 319.361 2.305 20 5 DEBDHN C[C@]1([C@@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3)C2)COC(=O)N1 ZINC000932026457 694530903 /nfs/dbraw/zinc/53/09/03/694530903.db2.gz LNAKUZWVJNGLHS-CZUORRHYSA-N 0 3 319.361 2.305 20 5 DEBDHN COC(=O)C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000932109838 694549628 /nfs/dbraw/zinc/54/96/28/694549628.db2.gz VHRBKZIYMBIGMI-CHWSQXEVSA-N 0 3 322.361 2.105 20 5 DEBDHN CN(CC1CN(C)C1)c1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC000894540540 692985377 /nfs/dbraw/zinc/98/53/77/692985377.db2.gz MDZSLYPKADAWST-UHFFFAOYSA-N 0 3 304.325 2.280 20 5 DEBDHN C[C@H](NC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000927041882 693545211 /nfs/dbraw/zinc/54/52/11/693545211.db2.gz HJZWOPDSBCHIID-UFBLJUAHSA-N 0 3 324.402 2.354 20 5 DEBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCCOC1CCOCC1 ZINC000927076925 693548973 /nfs/dbraw/zinc/54/89/73/693548973.db2.gz OUSZGPUTTIBVFI-HNNXBMFYSA-N 0 3 306.362 2.367 20 5 DEBDHN Cc1ccccc1[C@@H](CO)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001346110356 1150942013 /nfs/dbraw/zinc/94/20/13/1150942013.db2.gz PTWUBNICELPKDF-IAGOWNOFSA-N 0 3 316.357 2.260 20 5 DEBDHN NC1(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC2(CCC2)C1 ZINC001347061701 1151040096 /nfs/dbraw/zinc/04/00/96/1151040096.db2.gz SAZBQQRLAYSHSA-UHFFFAOYSA-N 0 3 301.346 2.099 20 5 DEBDHN COc1nccc(CNCCc2cccc([N+](=O)[O-])c2)c1F ZINC001355274666 1151997908 /nfs/dbraw/zinc/99/79/08/1151997908.db2.gz NMJRWFAXCWGMTK-UHFFFAOYSA-N 0 3 305.309 2.470 20 5 DEBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN[C@@H](C)[C@@H]1C ZINC001122017200 782418927 /nfs/dbraw/zinc/41/89/27/782418927.db2.gz IIUJTWGNJZRCGR-UWVGGRQHSA-N 0 3 309.391 2.139 20 5 DEBDHN O=[N+]([O-])c1ccc2c(cnn2CN2C[C@@H]3CSC[C@@H]3C2)c1 ZINC001333331352 1150035108 /nfs/dbraw/zinc/03/51/08/1150035108.db2.gz VNYIXIAOIIEHBL-TXEJJXNPSA-N 0 3 304.375 2.197 20 5 DEBDHN Cc1cc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)oc1C ZINC001125695233 777529689 /nfs/dbraw/zinc/52/96/89/777529689.db2.gz KYJCWTJJSPEACQ-UHFFFAOYSA-N 0 3 317.345 2.324 20 5 DEBDHN NCc1nn(-c2ccc3c([N+](=O)[O-])c[nH]c3n2)c2ccccc12 ZINC001167695458 777867336 /nfs/dbraw/zinc/86/73/36/777867336.db2.gz JWQRSVLYBFVSMB-UHFFFAOYSA-N 0 3 308.301 2.269 20 5 DEBDHN NCc1nn(-c2cnc(Cl)cc2[N+](=O)[O-])c2ccccc12 ZINC001167697010 777880452 /nfs/dbraw/zinc/88/04/52/777880452.db2.gz LHBFGXPXNIAKAF-UHFFFAOYSA-N 0 3 303.709 2.441 20 5 DEBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CC3(CCN3Cc3ccccc3)C2)C1 ZINC001169038280 785012669 /nfs/dbraw/zinc/01/26/69/785012669.db2.gz XPPNLOYWQJCXPP-SJORKVTESA-N 0 3 315.417 2.392 20 5 DEBDHN COc1cc2c(cc1OC)CN([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169053101 785022994 /nfs/dbraw/zinc/02/29/94/785022994.db2.gz HLHHRLIVIOGRAW-SMDDNHRTSA-N 0 3 306.362 2.465 20 5 DEBDHN Cc1c(F)cnc(N2CCCc3ccc(CN)nc32)c1[N+](=O)[O-] ZINC001169584002 785264598 /nfs/dbraw/zinc/26/45/98/785264598.db2.gz KAKSUBPFKWDUDO-UHFFFAOYSA-N 0 3 317.324 2.375 20 5 DEBDHN COc1ccc(C[C@H](C)n2cnc3c2CNCC3)c([N+](=O)[O-])c1 ZINC001170335933 786914457 /nfs/dbraw/zinc/91/44/57/786914457.db2.gz RQABBRYDHVWSMV-NSHDSACASA-N 0 3 316.361 2.249 20 5 DEBDHN COC(=O)[C@H]1CCN([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170335149 786914867 /nfs/dbraw/zinc/91/48/67/786914867.db2.gz LRJDYIYMNKFFSV-YPMHNXCESA-N 0 3 322.361 2.029 20 5 DEBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)C1(F)CCCC1 ZINC001130620075 787445801 /nfs/dbraw/zinc/44/58/01/787445801.db2.gz LKSRNMDGMCKIGB-UHFFFAOYSA-N 0 3 309.341 2.083 20 5 DEBDHN CCOC(=O)[C@H]1[C@@H]2CN([C@H](C)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC001173230793 793643967 /nfs/dbraw/zinc/64/39/67/793643967.db2.gz GJXLPZPGHUVPCB-FWYOQMDTSA-N 0 3 318.373 2.267 20 5 DEBDHN N[C@@H](C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)C1CCCCC1 ZINC001118269960 795171366 /nfs/dbraw/zinc/17/13/66/795171366.db2.gz SBQFPPYHYQZMJT-CYBMUJFWSA-N 0 3 317.349 2.317 20 5 DEBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CN2CCC1CC2 ZINC001120774502 795528460 /nfs/dbraw/zinc/52/84/60/795528460.db2.gz RCLIIGBQGQYNMR-AWEZNQCLSA-N 0 3 323.780 2.001 20 5 DEBDHN Cc1nc(Cl)c([N+](=O)[O-])c(N[C@H]2CCN(C3CCC3)C2)n1 ZINC001161176530 796121839 /nfs/dbraw/zinc/12/18/39/796121839.db2.gz YTBHUEIYFZNTOJ-VIFPVBQESA-N 0 3 311.773 2.385 20 5 DEBDHN Cc1cccc(CN2CC[C@H](Nc3ccncc3[N+](=O)[O-])C2)c1 ZINC001187190615 796497083 /nfs/dbraw/zinc/49/70/83/796497083.db2.gz RVPSQJLPCKVNAU-HNNXBMFYSA-N 0 3 312.373 2.407 20 5 DEBDHN Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCCC[C@@]12CNCCO2 ZINC001155823668 797857250 /nfs/dbraw/zinc/85/72/50/797857250.db2.gz CNIVZBOYMABEIJ-DZGCQCFKSA-N 0 3 306.366 2.011 20 5 DEBDHN Cc1c(C)c([N+](=O)[O-])cnc1N[C@H]1CCCC[C@@]12CNCCO2 ZINC001155826587 797858663 /nfs/dbraw/zinc/85/86/63/797858663.db2.gz NHRSKUXLNUHEND-GOEBONIOSA-N 0 3 320.393 2.320 20 5 DEBDHN C[C@H](CN(C)C)NC(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1 ZINC001155915721 797880504 /nfs/dbraw/zinc/88/05/04/797880504.db2.gz XKFKTGAFUSPCDH-SSDOTTSWSA-N 0 3 308.716 2.232 20 5 DEBDHN CCc1ccc(C(=O)N[C@@H]2CN(C)CC2(C)C)cc1[N+](=O)[O-] ZINC001156591490 798036820 /nfs/dbraw/zinc/03/68/20/798036820.db2.gz WAIRUNLIAZIOJK-CQSZACIVSA-N 0 3 305.378 2.227 20 5 DEBDHN CCOc1nc(-n2nc(CN)c3ccccc32)ccc1[N+](=O)[O-] ZINC001156860798 798097208 /nfs/dbraw/zinc/09/72/08/798097208.db2.gz RRFFFJZJICHHMU-UHFFFAOYSA-N 0 3 313.317 2.186 20 5 DEBDHN Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@H]3CCCN(C)[C@@H]3C2)n1 ZINC001157264317 798172108 /nfs/dbraw/zinc/17/21/08/798172108.db2.gz FCXDKAYKFBNIIB-ZYHUDNBSSA-N 0 3 310.785 2.482 20 5 DEBDHN CN1CCC(N(c2ncc([N+](=O)[O-])cc2N)C2CCCC2)CC1 ZINC001158488101 798415144 /nfs/dbraw/zinc/41/51/44/798415144.db2.gz XIYISHMLUIGMFD-UHFFFAOYSA-N 0 3 319.409 2.415 20 5 DEBDHN C[C@H](Nc1nc(Cl)c(Cl)cc1[N+](=O)[O-])[C@H]1CNCCO1 ZINC001159495538 798571808 /nfs/dbraw/zinc/57/18/08/798571808.db2.gz FVTPLJLWRHYABV-IMTBSYHQSA-N 0 3 321.164 2.085 20 5 DEBDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1ncc([N+](=O)[O-])cc1N ZINC001159596334 798585638 /nfs/dbraw/zinc/58/56/38/798585638.db2.gz ZHFQIGYUHHHGSM-JTQLQIEISA-N 0 3 324.344 2.444 20 5 DEBDHN Cc1cc(CN)nn1-c1ccc2cc(F)cc([N+](=O)[O-])c2n1 ZINC001163980943 799471452 /nfs/dbraw/zinc/47/14/52/799471452.db2.gz AZLVZEIHJHQTAK-UHFFFAOYSA-N 0 3 301.281 2.235 20 5 DEBDHN O=C(NCCCNCc1csc([N+](=O)[O-])c1)C1CC2(CC2)C1 ZINC001166371112 799863498 /nfs/dbraw/zinc/86/34/98/799863498.db2.gz VQXAOPZCCUATHZ-UHFFFAOYSA-N 0 3 323.418 2.442 20 5 DEBDHN O=[N+]([O-])c1ccc2nc(O[C@H]3CCC[C@@]34CC[NH2+]C4)[n-]c2c1 ZINC001218096087 802142083 /nfs/dbraw/zinc/14/20/83/802142083.db2.gz RYCPOTXHOYQBMT-ZFWWWQNUSA-N 0 3 302.334 2.382 20 5 DEBDHN O=[N+]([O-])c1ccc2[n-]c(O[C@H]3CCC[C@@]34CC[NH2+]C4)nc2c1 ZINC001218096087 802142084 /nfs/dbraw/zinc/14/20/84/802142084.db2.gz RYCPOTXHOYQBMT-ZFWWWQNUSA-N 0 3 302.334 2.382 20 5 DEBDHN CCN1CCC(Oc2cc([N+](=O)[O-])sc2C(=O)OC)CC1 ZINC001227541560 803250095 /nfs/dbraw/zinc/25/00/95/803250095.db2.gz IOMFDGCDCUKKDI-UHFFFAOYSA-N 0 3 314.363 2.306 20 5 DEBDHN Cc1ccc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])nn1 ZINC001344024781 1150792616 /nfs/dbraw/zinc/79/26/16/1150792616.db2.gz XGAUGXJJBCLIEO-YGRLFVJLSA-N 0 3 319.292 2.487 20 5 DEBDHN Cc1coc(C(=O)N(C)CCNCc2cccc([N+](=O)[O-])c2)c1 ZINC001493663519 1063906239 /nfs/dbraw/zinc/90/62/39/1063906239.db2.gz NKQKVGYDNMXEML-UHFFFAOYSA-N 0 3 317.345 2.358 20 5 DEBDHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)C1CC=CC1 ZINC001567477338 1064217614 /nfs/dbraw/zinc/21/76/14/1064217614.db2.gz FRLFXFJEXDMYAN-UHFFFAOYSA-N 0 3 303.362 2.109 20 5 DEBDHN CC(C)CC[C@@H](N)C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC001575556113 1066350163 /nfs/dbraw/zinc/35/01/63/1066350163.db2.gz VTJSHKSTGPICAH-CQSZACIVSA-N 0 3 307.394 2.359 20 5 DEBDHN Cc1cc(C(=O)N[C@H]2CCCN(C(C)C)C2)c(N)c([N+](=O)[O-])c1 ZINC001638145405 1078550969 /nfs/dbraw/zinc/55/09/69/1078550969.db2.gz JDXZQULPHKDKDU-LBPRGKRZSA-N 0 3 320.393 2.088 20 5 DEBDHN Cc1cc([N+](=O)[O-])cnc1N1CCN[C@@H](c2ccc(O)cc2)C1 ZINC001643125597 1078785596 /nfs/dbraw/zinc/78/55/96/1078785596.db2.gz ISHDXOXPYGOSNP-OAHLLOKOSA-N 0 3 314.345 2.155 20 5 DEBDHN Cc1ncncc1C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC001519200981 1069038793 /nfs/dbraw/zinc/03/87/93/1069038793.db2.gz HDRVWLFVSYTRIA-HZMBPMFUSA-N 0 3 319.292 2.487 20 5 DEBDHN COC(=O)c1cc(NC(=O)[C@@H](N)C(C)(C)C)c(C)c([N+](=O)[O-])c1 ZINC001573938770 1069132109 /nfs/dbraw/zinc/13/21/09/1069132109.db2.gz QOZAJUVNCJYICB-GFCCVEGCSA-N 0 3 323.349 2.002 20 5 DEBDHN O=C(Nc1cc([N+](=O)[O-])n[nH]1)C(C[C@@H]1CCCO1)C(F)(F)F ZINC001651837279 1079836073 /nfs/dbraw/zinc/83/60/73/1079836073.db2.gz VCJHFZXSBPPRTP-BQBZGAKWSA-N 0 3 322.243 2.004 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001657984431 1080192580 /nfs/dbraw/zinc/19/25/80/1080192580.db2.gz DRSNRYLXHWSNIE-JTQLQIEISA-N 0 3 319.321 2.359 20 5 DEBDHN CCCC(=O)N[C@H]1C[C@H](CNCc2csc([N+](=O)[O-])c2)C1 ZINC001485673044 1080359555 /nfs/dbraw/zinc/35/95/55/1080359555.db2.gz IAGHXBCQWOUTRS-UMSPYCQHSA-N 0 3 311.407 2.441 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNCCn1cc([N+](=O)[O-])cn1 ZINC001661787434 1080523655 /nfs/dbraw/zinc/52/36/55/1080523655.db2.gz JVFFFORIEUQBBN-UHFFFAOYSA-N 0 3 319.321 2.106 20 5 DEBDHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1ccc[nH]1 ZINC001482910877 1082553461 /nfs/dbraw/zinc/55/34/61/1082553461.db2.gz CIRKMRZXBOKLHE-UHFFFAOYSA-N 0 3 316.361 2.175 20 5 DEBDHN C[C@H]1COC[C@H]1NCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000710869093 1086689890 /nfs/dbraw/zinc/68/98/90/1086689890.db2.gz KHFPWGWTIRJYMQ-GZMMTYOYSA-N 0 3 315.167 2.482 20 5 DEBDHN CC[C@@](O)(CNCCNc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001336736296 1142554563 /nfs/dbraw/zinc/55/45/63/1142554563.db2.gz LSKKLIPWJOHDSU-GFCCVEGCSA-N 0 3 321.299 2.300 20 5 DEBDHN C[C@@H]1CN[C@@H](C)[C@@H](C)N1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC001341768384 1143702174 /nfs/dbraw/zinc/70/21/74/1143702174.db2.gz URKLILBHGPJPHO-GRYCIOLGSA-N 0 3 323.418 2.284 20 5 DEBDHN CN1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001339268024 1147398672 /nfs/dbraw/zinc/39/86/72/1147398672.db2.gz WATSAWAYCIYIRS-BZUAXINKSA-N 0 3 317.389 2.299 20 5 DEBDHN C[C@@H](NCC1(N2CCOCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000278498022 214191948 /nfs/dbraw/zinc/19/19/48/214191948.db2.gz QGAXWXUQNDHRCV-CYBMUJFWSA-N 0 3 305.378 2.110 20 5 DEBDHN COCCN1CC[C@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000278771177 214390439 /nfs/dbraw/zinc/39/04/39/214390439.db2.gz PFXUOXKSTKYDPI-WMLDXEAASA-N 0 3 319.405 2.283 20 5 DEBDHN CCN(CCc1ccccc1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090517758 185299930 /nfs/dbraw/zinc/29/99/30/185299930.db2.gz FWUDVRPVZWNPLD-UHFFFAOYSA-N 0 3 315.373 2.321 20 5 DEBDHN COc1ccc(C)cc1[C@H](C)NCCn1cc([N+](=O)[O-])cn1 ZINC000090539398 185301721 /nfs/dbraw/zinc/30/17/21/185301721.db2.gz VLFMYJIBKFEHRA-LBPRGKRZSA-N 0 3 304.350 2.459 20 5 DEBDHN CNC(=O)C[C@@H](C)N[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417346910 529869693 /nfs/dbraw/zinc/86/96/93/529869693.db2.gz GCWYZULZNFXAQS-IAQYHMDHSA-N 0 3 305.378 2.477 20 5 DEBDHN CS[C@@H]1CN(c2cccnc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000614822124 362469984 /nfs/dbraw/zinc/46/99/84/362469984.db2.gz QOJSRAFSAJKERX-QWHCGFSZSA-N 0 3 308.407 2.006 20 5 DEBDHN C[C@H](C(=O)N[C@H]1CCN(C)[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000330880107 232134670 /nfs/dbraw/zinc/13/46/70/232134670.db2.gz YVXOXZMCQROVKR-WOPDTQHZSA-N 0 3 323.368 2.436 20 5 DEBDHN CCO[C@@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2)[C@@]12CCCO2 ZINC000272635427 210038595 /nfs/dbraw/zinc/03/85/95/210038595.db2.gz BRPWLQQHYQNVAY-XHSDSOJGSA-N 0 3 306.362 2.411 20 5 DEBDHN O=[N+]([O-])c1cnn(CCN[C@@H](CCO)c2ccc(Cl)cc2)c1 ZINC000286923705 219226469 /nfs/dbraw/zinc/22/64/69/219226469.db2.gz KRSXNRWUXAIDHE-AWEZNQCLSA-N 0 3 324.768 2.158 20 5 DEBDHN O=C(/C=C\c1ccccc1[N+](=O)[O-])NC1CCN(C2CC2)CC1 ZINC000255342965 282631729 /nfs/dbraw/zinc/63/17/29/282631729.db2.gz QWPHVAPQEVSCAH-YVMONPNESA-N 0 3 315.373 2.351 20 5 DEBDHN CC(=O)c1cc(NCC2(N(C)C)CCOCC2)ccc1[N+](=O)[O-] ZINC000287156468 219348477 /nfs/dbraw/zinc/34/84/77/219348477.db2.gz FKUPXCXBQBSECI-UHFFFAOYSA-N 0 3 321.377 2.320 20 5 DEBDHN Cc1cccc(C(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)c1[N+](=O)[O-] ZINC000164273754 186154343 /nfs/dbraw/zinc/15/43/43/186154343.db2.gz HOXWYGKXKKKKQA-UKRRQHHQSA-N 0 3 317.389 2.460 20 5 DEBDHN Cc1cc(C(=O)N(C)CC2(N(C)C)CCC2)ccc1[N+](=O)[O-] ZINC000188033975 186246868 /nfs/dbraw/zinc/24/68/68/186246868.db2.gz OZOAWDLJUKIKOC-UHFFFAOYSA-N 0 3 305.378 2.460 20 5 DEBDHN C[C@H]1CN(CCN(C)CCc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000595476459 358459219 /nfs/dbraw/zinc/45/92/19/358459219.db2.gz MNIWMVDVEVROON-GJZGRUSLSA-N 0 3 321.421 2.178 20 5 DEBDHN C[C@@]1(CO)CCC[C@@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331817640 234156298 /nfs/dbraw/zinc/15/62/98/234156298.db2.gz YSZWVXFQQXKCKK-ZFWWWQNUSA-N 0 3 304.350 2.112 20 5 DEBDHN COC(=O)NCCNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000308321570 282864841 /nfs/dbraw/zinc/86/48/41/282864841.db2.gz BKLUCZRPGUWCNH-UHFFFAOYSA-N 0 3 304.306 2.219 20 5 DEBDHN COc1ccc([C@@H]2CCN(CCn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000174838851 198392316 /nfs/dbraw/zinc/39/23/16/198392316.db2.gz YFYYVNQJCQQVLY-CQSZACIVSA-N 0 3 316.361 2.289 20 5 DEBDHN CCN1CCN(C[C@@H](C)CNc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000060380189 354612102 /nfs/dbraw/zinc/61/21/02/354612102.db2.gz UMHKHCPCCONTQI-ZDUSSCGKSA-N 0 3 324.400 2.419 20 5 DEBDHN CN(C)C[C@@H]1CCCCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000066947640 354740819 /nfs/dbraw/zinc/74/08/19/354740819.db2.gz IFEWYFLBZDCBOT-AWEZNQCLSA-N 0 3 305.378 2.080 20 5 DEBDHN Cc1c([C@H](C)NC[C@H](O)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000090054315 355553554 /nfs/dbraw/zinc/55/35/54/355553554.db2.gz LICILWDMZRBKGX-LRDDRELGSA-N 0 3 308.378 2.341 20 5 DEBDHN CCN1CCN(C[C@H](C)CNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000091454473 355597475 /nfs/dbraw/zinc/59/74/75/355597475.db2.gz LQSOIOFRUCQIED-CQSZACIVSA-N 0 3 306.410 2.280 20 5 DEBDHN CC[C@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000182298789 356120679 /nfs/dbraw/zinc/12/06/79/356120679.db2.gz ZACXCGFNOKGOQR-TUKIKUTGSA-N 0 3 321.377 2.469 20 5 DEBDHN CN1CCN(CCCOc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000271018266 356353196 /nfs/dbraw/zinc/35/31/96/356353196.db2.gz ITBYQADAOCKIQR-UHFFFAOYSA-N 0 3 307.394 2.390 20 5 DEBDHN CC[C@@H]1CN(C)CCCN1C(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000322805591 356454282 /nfs/dbraw/zinc/45/42/82/356454282.db2.gz RVENEGHXDZDWCM-CYBMUJFWSA-N 0 3 320.393 2.193 20 5 DEBDHN C[C@H](NCCc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccco1 ZINC000320267649 356444324 /nfs/dbraw/zinc/44/43/24/356444324.db2.gz SPROCJPKLGLEOK-LBPRGKRZSA-N 0 3 317.345 2.025 20 5 DEBDHN Cc1c(Cc2noc([C@H]3CCN(C)C3)n2)cccc1[N+](=O)[O-] ZINC000350161185 356509949 /nfs/dbraw/zinc/50/99/49/356509949.db2.gz MWYCUAPDFXGSBG-LBPRGKRZSA-N 0 3 302.334 2.296 20 5 DEBDHN CC[C@@H](C)[C@@H](N)C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000236968607 202098899 /nfs/dbraw/zinc/09/88/99/202098899.db2.gz PGXBGPAWLBLNHY-IUODEOHRSA-N 0 3 322.409 2.195 20 5 DEBDHN COC1(CO)CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000618550685 363524416 /nfs/dbraw/zinc/52/44/16/363524416.db2.gz AMGQMPGECAMWNS-CYBMUJFWSA-N 0 3 308.378 2.438 20 5 DEBDHN CC[C@H](NC(=O)C[C@@H]1CSCCN1)c1cccc([N+](=O)[O-])c1 ZINC000237009575 202120275 /nfs/dbraw/zinc/12/02/75/202120275.db2.gz YTELRDDUAJXYBR-OCCSQVGLSA-N 0 3 323.418 2.257 20 5 DEBDHN O=C(c1ccc([N+](=O)[O-])s1)N1CCNC2(CCCCC2)C1 ZINC000400744973 356724972 /nfs/dbraw/zinc/72/49/72/356724972.db2.gz CEHYKBWQKVRTGA-UHFFFAOYSA-N 0 3 309.391 2.405 20 5 DEBDHN C[C@H]1CCC[C@@]1(O)CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590195287 357525443 /nfs/dbraw/zinc/52/54/43/357525443.db2.gz GTPJDBMXVZQFBW-MEDUHNTESA-N 0 3 322.361 2.007 20 5 DEBDHN Cc1cc(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])ccn1 ZINC000591769496 357758347 /nfs/dbraw/zinc/75/83/47/357758347.db2.gz CBXUJHOZFAYYAR-UHFFFAOYSA-N 0 3 314.345 2.417 20 5 DEBDHN CCOc1ccc([C@H](C)NCCC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000179415090 199031962 /nfs/dbraw/zinc/03/19/62/199031962.db2.gz GKFRQHJVYAXASM-NSHDSACASA-N 0 3 309.366 2.122 20 5 DEBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593075710 358002203 /nfs/dbraw/zinc/00/22/03/358002203.db2.gz RDWPMPYDUDZQNG-SMDDNHRTSA-N 0 3 323.368 2.075 20 5 DEBDHN C[C@@H]1C[C@@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CN1C1CC1 ZINC000593514745 358094998 /nfs/dbraw/zinc/09/49/98/358094998.db2.gz BVCFIMMXSNHZRN-ZWNOBZJWSA-N 0 3 321.352 2.018 20 5 DEBDHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000594203882 358223832 /nfs/dbraw/zinc/22/38/32/358223832.db2.gz VGISQHJLZOYPMH-HUUCEWRRSA-N 0 3 303.362 2.342 20 5 DEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1C[C@@H]2CCCC[C@@H]21 ZINC000594713450 358323149 /nfs/dbraw/zinc/32/31/49/358323149.db2.gz FXOBHBNVSNDBLF-MJBXVCDLSA-N 0 3 306.362 2.209 20 5 DEBDHN CC(C)(CNCc1ccc([N+](=O)[O-])cc1)[C@@]1(O)CCCOC1 ZINC000594994660 358375424 /nfs/dbraw/zinc/37/54/24/358375424.db2.gz DMSSMPLNCKZVGC-MRXNPFEDSA-N 0 3 308.378 2.252 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H](CO)C1CCOCC1 ZINC000595032232 358381499 /nfs/dbraw/zinc/38/14/99/358381499.db2.gz IVABTHSNUOUBBN-NHYWBVRUSA-N 0 3 324.377 2.042 20 5 DEBDHN O=C1CC[C@@H]2CN(C/C=C\c3ccccc3[N+](=O)[O-])CC[C@@H]2N1 ZINC000597206642 358853564 /nfs/dbraw/zinc/85/35/64/358853564.db2.gz PSGGQUGEPXVPCH-SUXDSQMHSA-N 0 3 315.373 2.209 20 5 DEBDHN CC(C)(C)N1CC[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000597925936 359044236 /nfs/dbraw/zinc/04/42/36/359044236.db2.gz YROXDMRVCDAAMF-GFCCVEGCSA-N 0 3 309.341 2.337 20 5 DEBDHN CCCN1CC[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000598342523 359170872 /nfs/dbraw/zinc/17/08/72/359170872.db2.gz OGKYTJURZMPMLY-AWEZNQCLSA-N 0 3 305.378 2.128 20 5 DEBDHN O=c1[nH]cccc1CN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000599088647 359399812 /nfs/dbraw/zinc/39/98/12/359399812.db2.gz RXTPYODDRGCYNI-QWHCGFSZSA-N 0 3 317.349 2.165 20 5 DEBDHN Cc1ccc(CN2CCN(CC(C)(C)O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000188894113 200318204 /nfs/dbraw/zinc/31/82/04/200318204.db2.gz IQIZZJOPDMRYKU-CQSZACIVSA-N 0 3 321.421 2.180 20 5 DEBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@H]2CC[C@@H](O)C2)c1 ZINC000188846225 200312017 /nfs/dbraw/zinc/31/20/17/200312017.db2.gz UQWWTSPCDYNKCT-JOYOIKCWSA-N 0 3 316.304 2.447 20 5 DEBDHN CCN(C)C(=O)[C@@H](C)N[C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000189397411 200394201 /nfs/dbraw/zinc/39/42/01/200394201.db2.gz QLTHEEYTJMQMPX-CHWSQXEVSA-N 0 3 307.394 2.372 20 5 DEBDHN CO[C@@]1(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)CCOC1 ZINC000602440730 360374147 /nfs/dbraw/zinc/37/41/47/360374147.db2.gz SHEKFKKHQQJXHE-MRXNPFEDSA-N 0 3 306.362 2.365 20 5 DEBDHN CN1CC=C(CNCc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602580088 360442214 /nfs/dbraw/zinc/44/22/14/360442214.db2.gz CYHTXUSUGIXDIT-UHFFFAOYSA-N 0 3 302.334 2.088 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)[C@@H](C)Cc1ccc(O)cc1 ZINC000602784608 360552678 /nfs/dbraw/zinc/55/26/78/360552678.db2.gz HUVIOQYKEHGSDL-LBPRGKRZSA-N 0 3 318.377 2.368 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000602900968 360617174 /nfs/dbraw/zinc/61/71/74/360617174.db2.gz PVCCEMNJNQBXCJ-CABCVRRESA-N 0 3 322.409 2.381 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](Oc2ccccc2)C1 ZINC000602902511 360617902 /nfs/dbraw/zinc/61/79/02/360617902.db2.gz JONQBOKGKVTIFE-OAHLLOKOSA-N 0 3 316.361 2.253 20 5 DEBDHN CC(C)C(=O)NCCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192604682 200908857 /nfs/dbraw/zinc/90/88/57/200908857.db2.gz KIMJWWFSAMKRJC-HNNXBMFYSA-N 0 3 305.378 2.334 20 5 DEBDHN C[C@H](NCc1c([N+](=O)[O-])ncn1C)[C@H]1Oc2ccccc2[C@H]1C ZINC000348536073 299322858 /nfs/dbraw/zinc/32/28/58/299322858.db2.gz QTIQQRPXHWYLLZ-ZETOZRRWSA-N 0 3 316.361 2.371 20 5 DEBDHN CC[C@@H](C)[C@@](C)(O)CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000609571476 361321051 /nfs/dbraw/zinc/32/10/51/361321051.db2.gz JMBLFOFMHVVEGX-BZNIZROVSA-N 0 3 324.377 2.253 20 5 DEBDHN CNc1ccc(C(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000610199251 361367012 /nfs/dbraw/zinc/36/70/12/361367012.db2.gz GQABDVZWNJYAII-SMDDNHRTSA-N 0 3 320.393 2.049 20 5 DEBDHN O=[N+]([O-])c1cc(F)ccc1N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000610489255 361407793 /nfs/dbraw/zinc/40/77/93/361407793.db2.gz SUJJNUDSBLGXRQ-AWEZNQCLSA-N 0 3 323.368 2.425 20 5 DEBDHN COc1cc(C[NH2+]CC2(CO)CCCCC2)c([N+](=O)[O-])cc1[O-] ZINC000610583437 361427964 /nfs/dbraw/zinc/42/79/64/361427964.db2.gz HIGGTIOIHHWQDS-UHFFFAOYSA-N 0 3 324.377 2.341 20 5 DEBDHN CN1CCC(N2CC[C@@H](Nc3sccc3[N+](=O)[O-])C2)CC1 ZINC000611411949 361594819 /nfs/dbraw/zinc/59/48/19/361594819.db2.gz JDSXHWCSGJXDPG-LLVKDONJSA-N 0 3 310.423 2.237 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@H](O)COCC1CC1)CCC2 ZINC000447535089 239005218 /nfs/dbraw/zinc/00/52/18/239005218.db2.gz CPQPQOUDZSBILN-DOTOQJQBSA-N 0 3 320.389 2.349 20 5 DEBDHN CCN1C[C@@H](C)N(c2ncnc3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000611712430 361664285 /nfs/dbraw/zinc/66/42/85/361664285.db2.gz LCPYMVCEGIMZOI-NWDGAFQWSA-N 0 3 315.377 2.457 20 5 DEBDHN CN1CC[C@@H]2CCN(c3ncnc4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000611713862 361666242 /nfs/dbraw/zinc/66/62/42/361666242.db2.gz IWELAKRZOUWHPB-IAQYHMDHSA-N 0 3 313.361 2.068 20 5 DEBDHN CC(C)[C@@H]1CN(C)CCN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611707564 361663307 /nfs/dbraw/zinc/66/33/07/361663307.db2.gz OQCCXYFKMHOSQT-HNNXBMFYSA-N 0 3 315.377 2.314 20 5 DEBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C1CCN(C2CC2)CC1 ZINC000195345893 201380529 /nfs/dbraw/zinc/38/05/29/201380529.db2.gz LJXZGYILQRLXTM-UHFFFAOYSA-N 0 3 317.389 2.428 20 5 DEBDHN O=C1CC[C@@H](NC/C=C\c2ccccc2[N+](=O)[O-])C2(CCC2)N1 ZINC000619799131 363878659 /nfs/dbraw/zinc/87/86/59/363878659.db2.gz NTQFNFOVBKHABM-OMVNSRBRSA-N 0 3 315.373 2.399 20 5 DEBDHN CO[C@@H]1CCCC[C@@H]1N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000275298126 212256342 /nfs/dbraw/zinc/25/63/42/212256342.db2.gz ZECQDOOQHGRBPR-CORIIIEPSA-N 0 3 321.377 2.469 20 5 DEBDHN CO[C@H]1C[C@@H](NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1(C)C ZINC000451484982 243017707 /nfs/dbraw/zinc/01/77/07/243017707.db2.gz CFMKCMYGXNTJKX-OLZOCXBDSA-N 0 3 321.377 2.245 20 5 DEBDHN COc1ccc(OCCN2CC[C@H](CCCO)C2)c([N+](=O)[O-])c1 ZINC000452136226 243962445 /nfs/dbraw/zinc/96/24/45/243962445.db2.gz XSVOIDVKNQYWNS-ZDUSSCGKSA-N 0 3 324.377 2.077 20 5 DEBDHN COCCN1CCC(Nc2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000266068459 205071524 /nfs/dbraw/zinc/07/15/24/205071524.db2.gz CGIROXGSDXUROV-UHFFFAOYSA-N 0 3 309.366 2.126 20 5 DEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(C[C@H]2CCOC2)CC1 ZINC000267380218 206024812 /nfs/dbraw/zinc/02/48/12/206024812.db2.gz GGBHYIBLMJBRGX-HUUCEWRRSA-N 0 3 319.405 2.310 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)c1 ZINC000268011601 206396382 /nfs/dbraw/zinc/39/63/82/206396382.db2.gz UVZOVMPQVLFKLM-RYUDHWBXSA-N 0 3 303.362 2.258 20 5 DEBDHN CN(CCN(C)C1CC1)C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000492648798 249108341 /nfs/dbraw/zinc/10/83/41/249108341.db2.gz ONDGOCMLIBOXCZ-YWEYNIOJSA-N 0 3 321.352 2.300 20 5 DEBDHN COCCN1CC[C@@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000268842932 207008507 /nfs/dbraw/zinc/00/85/07/207008507.db2.gz AXLBCRPEFYRKLA-UONOGXRCSA-N 0 3 307.394 2.275 20 5 DEBDHN CC[C@H](NC[C@H](O)c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000268881918 207053249 /nfs/dbraw/zinc/05/32/49/207053249.db2.gz KEJWGJHCONVBIP-GJZGRUSLSA-N 0 3 304.350 2.103 20 5 DEBDHN CN(CCNc1ncc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000062010268 184201342 /nfs/dbraw/zinc/20/13/42/184201342.db2.gz LQTRHGHJLICAAI-UHFFFAOYSA-N 0 3 315.171 2.258 20 5 DEBDHN CCN(CC1CC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000157925778 197227531 /nfs/dbraw/zinc/22/75/31/197227531.db2.gz XFBKWZHICGLCRY-OAHLLOKOSA-N 0 3 303.362 2.432 20 5 DEBDHN CN(CCc1nccs1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000157765734 197214005 /nfs/dbraw/zinc/21/40/05/197214005.db2.gz XQLQUCBKYSOOSZ-ZDUSSCGKSA-N 0 3 307.375 2.259 20 5 DEBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CC1CCOCC1 ZINC000156038290 197083052 /nfs/dbraw/zinc/08/30/52/197083052.db2.gz YPYUIKNUPIZSHG-LBPRGKRZSA-N 0 3 321.377 2.280 20 5 DEBDHN CCO[C@H]1C[C@@H](N(C)CCn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC000120887364 195258184 /nfs/dbraw/zinc/25/81/84/195258184.db2.gz YUAQOHXFNWFHBY-KGLIPLIRSA-N 0 3 308.382 2.071 20 5 DEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@@H]1CCS(=O)(=O)[C@H]1C ZINC000353855414 533409994 /nfs/dbraw/zinc/40/99/94/533409994.db2.gz MMSFDBSECKPMOC-QBGAIBADSA-N 0 3 324.402 2.163 20 5 DEBDHN CCN1CCCN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000368326430 133269210 /nfs/dbraw/zinc/26/92/10/133269210.db2.gz GHRPBELHDUZABB-GFCCVEGCSA-N 0 3 323.368 2.392 20 5 DEBDHN Cc1cncc(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000563806038 292073966 /nfs/dbraw/zinc/07/39/66/292073966.db2.gz NPNGEIHADWXQNA-UHFFFAOYSA-N 0 3 314.345 2.417 20 5 DEBDHN C[C@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)CN1C1CC1 ZINC000120559196 144674214 /nfs/dbraw/zinc/67/42/14/144674214.db2.gz QGCPCRYSZIEZDU-JQWIXIFHSA-N 0 3 321.352 2.018 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N(C)CC1(N(C)C)CCC1 ZINC000192619968 145076696 /nfs/dbraw/zinc/07/66/96/145076696.db2.gz JPJSKLHDYWVGED-UHFFFAOYSA-N 0 3 305.378 2.460 20 5 DEBDHN COC(=O)[C@@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000249102592 145178789 /nfs/dbraw/zinc/17/87/89/145178789.db2.gz PTRGOLFNRYKZHJ-IUODEOHRSA-N 0 3 306.362 2.268 20 5 DEBDHN O=[N+]([O-])c1cc(CN2CCNC[C@@H]2c2ccncc2)cs1 ZINC000262057741 145257653 /nfs/dbraw/zinc/25/76/53/145257653.db2.gz QTVKHEYDXRLCFZ-CYBMUJFWSA-N 0 3 304.375 2.198 20 5 DEBDHN C[C@H]1CC[C@H](C)N1CC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000346236286 146043836 /nfs/dbraw/zinc/04/38/36/146043836.db2.gz GUWLXYUYHOETBO-STQMWFEESA-N 0 3 305.378 2.126 20 5 DEBDHN C[C@H]1C[C@@H]1N1CCN(C(=O)c2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346258665 146048721 /nfs/dbraw/zinc/04/87/21/146048721.db2.gz KBJZVOLALXGDHA-XEZPLFJOSA-N 0 3 317.389 2.397 20 5 DEBDHN C[C@H]1[C@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CCCN1C ZINC000346407595 146077014 /nfs/dbraw/zinc/07/70/14/146077014.db2.gz MPOKUHAWHAJSRJ-GXTWGEPZSA-N 0 3 319.405 2.471 20 5 DEBDHN C[C@H](CO)N1CCCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000346694161 146125837 /nfs/dbraw/zinc/12/58/37/146125837.db2.gz SHJTYPBXMGEFTN-KGLIPLIRSA-N 0 3 307.394 2.044 20 5 DEBDHN COC1(C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)CCCC1 ZINC000565631188 292174081 /nfs/dbraw/zinc/17/40/81/292174081.db2.gz NCXPKFFVLZHLAT-UHFFFAOYSA-N 0 3 320.345 2.275 20 5 DEBDHN COc1ccc(C(=O)NC[C@@H](CC(C)C)N(C)C)cc1[N+](=O)[O-] ZINC000074137113 401731276 /nfs/dbraw/zinc/73/12/76/401731276.db2.gz GGDMKCKMJKDPAZ-CYBMUJFWSA-N 0 3 323.393 2.310 20 5 DEBDHN CS(=O)(=O)[C@H]1CCC[C@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000077459165 401816319 /nfs/dbraw/zinc/81/63/19/401816319.db2.gz PZNSUTWETCOGNR-JSGCOSHPSA-N 0 3 312.391 2.040 20 5 DEBDHN Cc1c(CC(=O)N2CC[C@H](N3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000119462702 401951680 /nfs/dbraw/zinc/95/16/80/401951680.db2.gz DXAXHNVMYKNQIE-HNNXBMFYSA-N 0 3 317.389 2.142 20 5 DEBDHN Cc1c(CC(=O)N2CC[C@@H](N3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000119462826 401951851 /nfs/dbraw/zinc/95/18/51/401951851.db2.gz DXAXHNVMYKNQIE-OAHLLOKOSA-N 0 3 317.389 2.142 20 5 DEBDHN Cc1ccc(C(=O)N2CCC[C@H]3CN(C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000119551306 401958446 /nfs/dbraw/zinc/95/84/46/401958446.db2.gz ITIKPZVJACASPP-LSDHHAIUSA-N 0 3 317.389 2.460 20 5 DEBDHN NC(=O)c1csc(CNCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000093687552 402019806 /nfs/dbraw/zinc/01/98/06/402019806.db2.gz KCFPZWJGXCEEAS-UHFFFAOYSA-N 0 3 305.359 2.088 20 5 DEBDHN O=[N+]([O-])c1ccccc1OCCN1CCN(CC2CC2)CC1 ZINC000052165748 402039862 /nfs/dbraw/zinc/03/98/62/402039862.db2.gz IFOPAQAMUIVWKU-UHFFFAOYSA-N 0 3 305.378 2.001 20 5 DEBDHN CCN1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000122743722 402093023 /nfs/dbraw/zinc/09/30/23/402093023.db2.gz QLMBNFNLESERQX-UHFFFAOYSA-N 0 3 322.365 2.209 20 5 DEBDHN CN(Cc1ccccc1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000122779309 402094220 /nfs/dbraw/zinc/09/42/20/402094220.db2.gz MNZDVRLHCKDZNB-HNNXBMFYSA-N 0 3 316.357 2.467 20 5 DEBDHN CCN(CC)CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000126072434 402262685 /nfs/dbraw/zinc/26/26/85/402262685.db2.gz ZSOCCSUDROIWTR-UHFFFAOYSA-N 0 3 305.378 2.428 20 5 DEBDHN Cc1ccccc1OCCN(C)CCn1ccc([N+](=O)[O-])n1 ZINC000176198836 402289494 /nfs/dbraw/zinc/28/94/94/402289494.db2.gz BNWCKVHNSYJWOU-UHFFFAOYSA-N 0 3 304.350 2.111 20 5 DEBDHN C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C)C1 ZINC000227817627 402333850 /nfs/dbraw/zinc/33/38/50/402333850.db2.gz ZOTWRYUUQPCPGC-ZIAGYGMSSA-N 0 3 319.405 2.374 20 5 DEBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000164543145 402464409 /nfs/dbraw/zinc/46/44/09/402464409.db2.gz BDLSFXGKBULMFL-HUUCEWRRSA-N 0 3 317.389 2.080 20 5 DEBDHN CCN(C)CCNc1ncc([N+](=O)[O-])c(C)c1Br ZINC000165759441 402478448 /nfs/dbraw/zinc/47/84/48/402478448.db2.gz KVNDWAHZXZIZNW-UHFFFAOYSA-N 0 3 317.187 2.424 20 5 DEBDHN C[C@H](NCCN1CCOC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000178764772 402536421 /nfs/dbraw/zinc/53/64/21/402536421.db2.gz ZIXQLJBQJRIWAX-ZDUSSCGKSA-N 0 3 307.394 2.356 20 5 DEBDHN Cc1c(CN2CCC[C@@H](C3OCCO3)C2)cccc1[N+](=O)[O-] ZINC000171375241 402581772 /nfs/dbraw/zinc/58/17/72/402581772.db2.gz UQBAAFDLXPGVNC-CQSZACIVSA-N 0 3 306.362 2.488 20 5 DEBDHN CCN1CCC[C@@H]1CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000248567087 402596425 /nfs/dbraw/zinc/59/64/25/402596425.db2.gz LBZUSQUINKYLAY-DGCLKSJQSA-N 0 3 323.368 2.438 20 5 DEBDHN Cc1ccc([C@@H](C)NCCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000182315660 402680824 /nfs/dbraw/zinc/68/08/24/402680824.db2.gz SOTCIXNJDOATIJ-CYBMUJFWSA-N 0 3 301.346 2.416 20 5 DEBDHN C[C@H](CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)N(C)C1CC1 ZINC000255327605 402684149 /nfs/dbraw/zinc/68/41/49/402684149.db2.gz GBESNQZFSJRAIH-DUWGPSABSA-N 0 3 303.362 2.207 20 5 DEBDHN Cc1ccc(NC(=O)N(C)CCN(C)C2CC2)cc1[N+](=O)[O-] ZINC000183893031 402803533 /nfs/dbraw/zinc/80/35/33/402803533.db2.gz YKHWUICPEKDYQK-UHFFFAOYSA-N 0 3 306.366 2.461 20 5 DEBDHN C[C@](NCCc1ccc([N+](=O)[O-])cc1)(C(N)=O)c1ccccc1 ZINC000195226800 402837581 /nfs/dbraw/zinc/83/75/81/402837581.db2.gz YCUMLQSHLMESBU-QGZVFWFLSA-N 0 3 313.357 2.128 20 5 DEBDHN C[C@H](NC(=O)C12CCCN1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000278810952 402873929 /nfs/dbraw/zinc/87/39/29/402873929.db2.gz IAHAPOMPNSWOMQ-LBPRGKRZSA-N 0 3 303.362 2.400 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@H](O)C1CCOCC1)CCC2 ZINC000278854483 402878577 /nfs/dbraw/zinc/87/85/77/402878577.db2.gz VVXOAVPBSJFSSP-SJORKVTESA-N 0 3 320.389 2.349 20 5 DEBDHN CN1CC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)[C@H]2C1 ZINC000272569810 402954594 /nfs/dbraw/zinc/95/45/94/402954594.db2.gz FPPZONMQDYNSBL-YGRLFVJLSA-N 0 3 323.780 2.414 20 5 DEBDHN Cc1ccc(N2CCN(C3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000267079879 403013444 /nfs/dbraw/zinc/01/34/44/403013444.db2.gz SCYXZZNZRGOWER-UHFFFAOYSA-N 0 3 305.378 2.204 20 5 DEBDHN CN(C)[C@H](CNc1ncc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000273229093 402985006 /nfs/dbraw/zinc/98/50/06/402985006.db2.gz WQEFNDGAUPLRPP-CYBMUJFWSA-N 0 3 305.313 2.239 20 5 DEBDHN C[C@H]1CN(C)CC[C@H]1N(C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000267728905 403040666 /nfs/dbraw/zinc/04/06/66/403040666.db2.gz UJXQDTRGMCGSJH-CMPLNLGQSA-N 0 3 308.338 2.279 20 5 DEBDHN CCOC(=O)c1ccnc(NC2(CN(C)C)CCC2)c1[N+](=O)[O-] ZINC000281796050 403092713 /nfs/dbraw/zinc/09/27/13/403092713.db2.gz IHCFIJUJXBPNIM-UHFFFAOYSA-N 0 3 322.365 2.063 20 5 DEBDHN CN(CCN(C)C1CC1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000274548008 403066313 /nfs/dbraw/zinc/06/63/13/403066313.db2.gz HAPDTJYJOAZZAA-UHFFFAOYSA-N 0 3 316.361 2.242 20 5 DEBDHN Cc1ccc(NCCN2CCN(C)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000281728884 403085939 /nfs/dbraw/zinc/08/59/39/403085939.db2.gz WBDXWJIENIJHLF-UHFFFAOYSA-N 0 3 306.410 2.341 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](N(C)C)C2)c1 ZINC000283652974 403212691 /nfs/dbraw/zinc/21/26/91/403212691.db2.gz DDZRBBXJRQPDBW-GFCCVEGCSA-N 0 3 321.377 2.160 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NCCN1CCC[C@H](C)C1 ZINC000277592373 403234595 /nfs/dbraw/zinc/23/45/95/403234595.db2.gz NPNMURCGZYIJNE-LBPRGKRZSA-N 0 3 321.377 2.065 20 5 DEBDHN CS[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)C[C@@H]1N(C)C ZINC000270386449 403186480 /nfs/dbraw/zinc/18/64/80/403186480.db2.gz RIPSMOKTJGDQLN-WDEREUQCSA-N 0 3 316.814 2.125 20 5 DEBDHN C[C@@H](NCC1([S@](C)=O)CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284983165 403276475 /nfs/dbraw/zinc/27/64/75/403276475.db2.gz GEKTZSXIDZUNAY-UZJPJQLHSA-N 0 3 311.407 2.129 20 5 DEBDHN C[C@@H]1[C@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CCCN1C ZINC000345332623 403290350 /nfs/dbraw/zinc/29/03/50/403290350.db2.gz YUJJKZHSXSTCTM-QMTHXVAHSA-N 0 3 316.361 2.289 20 5 DEBDHN CN(C)Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])n2C)c1 ZINC000345482722 403350248 /nfs/dbraw/zinc/35/02/48/403350248.db2.gz FFBBQXYAPPXJTO-UHFFFAOYSA-N 0 3 302.334 2.247 20 5 DEBDHN O=[N+]([O-])c1ccc(Cl)c(CNCCC2(O)CCOCC2)c1 ZINC000285513324 403315284 /nfs/dbraw/zinc/31/52/84/403315284.db2.gz NSCMFRXPCVIOJS-UHFFFAOYSA-N 0 3 314.769 2.269 20 5 DEBDHN CN1CC[C@@](O)(CNc2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000342831642 403364607 /nfs/dbraw/zinc/36/46/07/403364607.db2.gz NKIPXAKBCUVKQF-GFCCVEGCSA-N 0 3 320.176 2.380 20 5 DEBDHN CCN1CCC[C@H]1CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342919388 403396263 /nfs/dbraw/zinc/39/62/63/403396263.db2.gz APVWSICTOWNKQI-NSHDSACASA-N 0 3 316.361 2.290 20 5 DEBDHN CN(C)[C@H]1CCCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000339798068 403454550 /nfs/dbraw/zinc/45/45/50/403454550.db2.gz NHYRBNPRJQBVCV-ZDUSSCGKSA-N 0 3 319.405 2.425 20 5 DEBDHN C[C@H](NC(=O)N1CCCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000298908406 403483884 /nfs/dbraw/zinc/48/38/84/403483884.db2.gz CUDYFSLOWUCWHA-LBPRGKRZSA-N 0 3 306.366 2.003 20 5 DEBDHN CNC(=O)CC[C@H]1CCCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000286423582 403523042 /nfs/dbraw/zinc/52/30/42/403523042.db2.gz KRLFJCNXWNFABG-CQSZACIVSA-N 0 3 305.378 2.476 20 5 DEBDHN C[C@H](CC(N)=O)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000345819324 403497309 /nfs/dbraw/zinc/49/73/09/403497309.db2.gz CELAPNHLCAYSBQ-SNVBAGLBSA-N 0 3 303.318 2.208 20 5 DEBDHN C[C@H]1CC[C@H](C)N1CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000332166666 403503029 /nfs/dbraw/zinc/50/30/29/403503029.db2.gz OQKRMKNWMFLDQG-STQMWFEESA-N 0 3 317.389 2.352 20 5 DEBDHN C[C@@H]1C[C@@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CCN1C ZINC000332225108 403521448 /nfs/dbraw/zinc/52/14/48/403521448.db2.gz BOSKUBGNNKNMOR-MNOVXSKESA-N 0 3 316.361 2.289 20 5 DEBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NCCN1CCC[C@H](C)C1 ZINC000301096833 403589661 /nfs/dbraw/zinc/58/96/61/403589661.db2.gz JLUBSICNTUXKIS-LBPRGKRZSA-N 0 3 320.393 2.098 20 5 DEBDHN O=C([C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1)N1CCCC1 ZINC000287295848 403570218 /nfs/dbraw/zinc/57/02/18/403570218.db2.gz ITHASXBKOLGZOX-CQSZACIVSA-N 0 3 303.362 2.039 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)c1 ZINC000173212910 292281939 /nfs/dbraw/zinc/28/19/39/292281939.db2.gz HUCHPMHXAMPBDN-JSGCOSHPSA-N 0 3 305.378 2.315 20 5 DEBDHN CCN1CCC[C@@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000347255325 403638472 /nfs/dbraw/zinc/63/84/72/403638472.db2.gz FLTHVVXZXAINQJ-LLVKDONJSA-N 0 3 310.329 2.340 20 5 DEBDHN COc1cc(N2CC[C@@H](N3CCCC3)C2)c(F)cc1[N+](=O)[O-] ZINC000301859396 403692146 /nfs/dbraw/zinc/69/21/46/403692146.db2.gz DZVOHCLQWGJAKI-LLVKDONJSA-N 0 3 309.341 2.417 20 5 DEBDHN Cc1cc(C(=O)N2CC[C@]3(C2)CCCN(C)C3)ccc1[N+](=O)[O-] ZINC000294361339 403714049 /nfs/dbraw/zinc/71/40/49/403714049.db2.gz ZBHHFUWQDMQDDP-QGZVFWFLSA-N 0 3 317.389 2.461 20 5 DEBDHN Nc1ccc(N[C@@H]2CCN(Cc3ccccc3)C2)nc1[N+](=O)[O-] ZINC000309767812 403963154 /nfs/dbraw/zinc/96/31/54/403963154.db2.gz GUFGBXFYERZPBQ-CYBMUJFWSA-N 0 3 313.361 2.258 20 5 DEBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1ccn(C)c1 ZINC000341317863 403905863 /nfs/dbraw/zinc/90/58/63/403905863.db2.gz VQNOZKUFXDNKEN-GFCCVEGCSA-N 0 3 316.361 2.440 20 5 DEBDHN CC(C)N1CCC[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000347978908 403990957 /nfs/dbraw/zinc/99/09/57/403990957.db2.gz LWSWCMFPYLSAJA-AWEZNQCLSA-N 0 3 305.378 2.126 20 5 DEBDHN C[C@@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1O ZINC000351921722 404008341 /nfs/dbraw/zinc/00/83/41/404008341.db2.gz SZXBPKCMCHICAR-BXUZGUMPSA-N 0 3 317.345 2.105 20 5 DEBDHN C[C@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1O ZINC000351921723 404008580 /nfs/dbraw/zinc/00/85/80/404008580.db2.gz SZXBPKCMCHICAR-FZMZJTMJSA-N 0 3 317.345 2.105 20 5 DEBDHN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@H]1CN1CCCC1 ZINC000344268698 404020018 /nfs/dbraw/zinc/02/00/18/404020018.db2.gz ZXOQOIIQOJLHDA-AWEZNQCLSA-N 0 3 321.352 2.434 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1CN1CC[C@H](c2nc(C)n[nH]2)C1 ZINC000412038142 404077198 /nfs/dbraw/zinc/07/71/98/404077198.db2.gz JBWPNOKXPWZNST-LBPRGKRZSA-N 0 3 317.349 2.019 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1CN1CC[C@H](c2n[nH]c(C)n2)C1 ZINC000412038142 404077201 /nfs/dbraw/zinc/07/72/01/404077201.db2.gz JBWPNOKXPWZNST-LBPRGKRZSA-N 0 3 317.349 2.019 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1CN1CC[C@H](c2nnc(C)[nH]2)C1 ZINC000412038142 404077204 /nfs/dbraw/zinc/07/72/04/404077204.db2.gz JBWPNOKXPWZNST-LBPRGKRZSA-N 0 3 317.349 2.019 20 5 DEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@H]1Cc1ccccc1 ZINC000341578189 404048245 /nfs/dbraw/zinc/04/82/45/404048245.db2.gz DIEQHSANPCEIPA-HNNXBMFYSA-N 0 3 313.357 2.074 20 5 DEBDHN CN(C[C@@H](O)Cn1cnc2cc3ccccc3cc2c1=O)C1CC1 ZINC000290790551 404313334 /nfs/dbraw/zinc/31/33/34/404313334.db2.gz OGWQZUILEQEMKH-MRXNPFEDSA-N 0 3 323.396 2.005 20 5 DEBDHN Nc1c(F)c(N2CCC[C@@H](N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000356178573 404397971 /nfs/dbraw/zinc/39/79/71/404397971.db2.gz YRXWUMQPHMGTFF-LLVKDONJSA-N 0 3 308.357 2.381 20 5 DEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@@H]1CCCS1(=O)=O ZINC000345021473 404501900 /nfs/dbraw/zinc/50/19/00/404501900.db2.gz SBERHOKVIVPTPW-PINLSGDHSA-N 0 3 324.402 2.165 20 5 DEBDHN CO[C@@H]([C@H](C)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000414178370 404535864 /nfs/dbraw/zinc/53/58/64/404535864.db2.gz JLCKOYPXZAOMGS-PGUXBMHVSA-N 0 3 321.377 2.325 20 5 DEBDHN Cc1ncsc1CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373282411 404536628 /nfs/dbraw/zinc/53/66/28/404536628.db2.gz CEUGXJXQQLFKDJ-UHFFFAOYSA-N 0 3 321.406 2.436 20 5 DEBDHN CN(C)C(=O)[C@@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000414503457 404659577 /nfs/dbraw/zinc/65/95/77/404659577.db2.gz WHUTWIOTDXKAEP-HZRUHFOJSA-N 0 3 303.362 2.018 20 5 DEBDHN CC1(C)CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000330453595 404663622 /nfs/dbraw/zinc/66/36/22/404663622.db2.gz LNVXHNVUFMWHAQ-CQSZACIVSA-N 0 3 308.378 2.457 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H]1CSC[C@H]1C ZINC000352799001 404631590 /nfs/dbraw/zinc/63/15/90/404631590.db2.gz LNAIGUPSZMMTHG-MNOVXSKESA-N 0 3 309.391 2.183 20 5 DEBDHN C[C@H]1CCCN(C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000330569675 404690770 /nfs/dbraw/zinc/69/07/70/404690770.db2.gz OAAPYRIJOSEBTQ-LBPRGKRZSA-N 0 3 322.409 2.174 20 5 DEBDHN CC(C)(C)[C@H]1NC(=O)CC[C@H]1NCc1csc([N+](=O)[O-])c1 ZINC000353118972 404747059 /nfs/dbraw/zinc/74/70/59/404747059.db2.gz NEUDRUAIFNJPAS-MFKMUULPSA-N 0 3 311.407 2.439 20 5 DEBDHN C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc2n[nH]cc2c1 ZINC000353289380 404793261 /nfs/dbraw/zinc/79/32/61/404793261.db2.gz ULCDAZPHCZRLGD-JTQLQIEISA-N 0 3 300.322 2.018 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@H](C)NC[C@H]1C ZINC000415292071 404841550 /nfs/dbraw/zinc/84/15/50/404841550.db2.gz HDDQELDAGGOFHM-WDEREUQCSA-N 0 3 306.366 2.426 20 5 DEBDHN CC[C@H](NCCN1CCCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000361354996 405036139 /nfs/dbraw/zinc/03/61/39/405036139.db2.gz LOPUJUBJYJYXOB-INIZCTEOSA-N 0 3 307.394 2.358 20 5 DEBDHN CN(C)C1(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000416308257 405097977 /nfs/dbraw/zinc/09/79/77/405097977.db2.gz PXDXWEWCNQRWIC-UHFFFAOYSA-N 0 3 323.368 2.222 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H](c2nc[nH]n2)C1 ZINC000425359819 405279935 /nfs/dbraw/zinc/27/99/35/405279935.db2.gz SYTGRWIWHNKXSC-NSHDSACASA-N 0 3 317.349 2.101 20 5 DEBDHN C[C@H](CN1CCCCCC1)Nc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420607886 405361016 /nfs/dbraw/zinc/36/10/16/405361016.db2.gz CDXCXJAGZJOYBY-GFCCVEGCSA-N 0 3 320.393 2.370 20 5 DEBDHN NC(=O)[C@H]1CC[C@H](CNCc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000421347861 405466424 /nfs/dbraw/zinc/46/64/24/405466424.db2.gz DNSCODPNUOBWEO-XYPYZODXSA-N 0 3 309.341 2.115 20 5 DEBDHN CN(C[C@@H]1CCCN1C)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000421699431 405594236 /nfs/dbraw/zinc/59/42/36/405594236.db2.gz AZTAOCZPWMGIIQ-HNNXBMFYSA-N 0 3 319.405 2.425 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000421781296 405645045 /nfs/dbraw/zinc/64/50/45/405645045.db2.gz AGJDPNFMZFRTHQ-WFASDCNBSA-N 0 3 317.389 2.424 20 5 DEBDHN CC1(C)CCCN1CCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000457060326 405676329 /nfs/dbraw/zinc/67/63/29/405676329.db2.gz RULKQNCQSUOSMR-UHFFFAOYSA-N 0 3 309.341 2.338 20 5 DEBDHN N[C@@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000423164957 405708727 /nfs/dbraw/zinc/70/87/27/405708727.db2.gz PCGMUFXLSRDERS-OAHLLOKOSA-N 0 3 305.378 2.161 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCN(C(C)C)C2)c1 ZINC000457134107 405716639 /nfs/dbraw/zinc/71/66/39/405716639.db2.gz VTEUYERNORNIKB-LBPRGKRZSA-N 0 3 321.377 2.158 20 5 DEBDHN Cc1ccc([C@H](C)NC(=O)[C@H]2C[C@H](C)CCN2)cc1[N+](=O)[O-] ZINC000423280184 405747632 /nfs/dbraw/zinc/74/76/32/405747632.db2.gz SKMRMFKJUDJJJW-SCDSUCTJSA-N 0 3 305.378 2.469 20 5 DEBDHN COCCN1CC[C@@H](Nc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450325009 405835248 /nfs/dbraw/zinc/83/52/48/405835248.db2.gz RWPDCLHFLHMVET-GFCCVEGCSA-N 0 3 316.361 2.276 20 5 DEBDHN COCC1(NC/C=C\c2ccccc2[N+](=O)[O-])CCOCC1 ZINC000560558791 405846462 /nfs/dbraw/zinc/84/64/62/405846462.db2.gz TUVKMPIMLGLBPI-XQRVVYSFSA-N 0 3 306.362 2.393 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1CN1CCN(C)[C@H](C(C)C)C1 ZINC000487971398 406279363 /nfs/dbraw/zinc/27/93/63/406279363.db2.gz NGESVKGQMVQCMH-HNNXBMFYSA-N 0 3 307.394 2.375 20 5 DEBDHN C[C@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCCC1 ZINC000545494745 406321517 /nfs/dbraw/zinc/32/15/17/406321517.db2.gz MMVYOQPGZIWLGQ-LLVKDONJSA-N 0 3 316.361 2.290 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)n1 ZINC000488715810 406340074 /nfs/dbraw/zinc/34/00/74/406340074.db2.gz BEARPEUWXBWGFG-YWPYICTPSA-N 0 3 304.394 2.465 20 5 DEBDHN O=C1NCC[C@H]1CCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000570813538 406442863 /nfs/dbraw/zinc/44/28/63/406442863.db2.gz QWJVTMDYXQGBIC-ZDUSSCGKSA-N 0 3 303.362 2.085 20 5 DEBDHN C[C@H]1CCN(CCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000524776272 406460104 /nfs/dbraw/zinc/46/01/04/406460104.db2.gz MLQFOUVUGSCIHN-ZDUSSCGKSA-N 0 3 319.405 2.330 20 5 DEBDHN CN(C)C[C@@H]1CCCN1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000491465622 406599352 /nfs/dbraw/zinc/59/93/52/406599352.db2.gz RXWSDWHLGMYFTG-CMUBDUJZSA-N 0 3 303.362 2.161 20 5 DEBDHN C[C@@H]1C[C@@H](NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CCN1C ZINC000491908837 406773950 /nfs/dbraw/zinc/77/39/50/406773950.db2.gz YBNFPLSDDGAJGA-WDYNUWJLSA-N 0 3 303.362 2.207 20 5 DEBDHN COC[C@@H](CCO)N[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417303049 229005127 /nfs/dbraw/zinc/00/51/27/229005127.db2.gz DBNWFEVDJYBLFQ-CZUORRHYSA-N 0 3 308.378 2.349 20 5 DEBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)N1CCC(C)CC1 ZINC000299327427 229052595 /nfs/dbraw/zinc/05/25/95/229052595.db2.gz GSIJVFWECQZJCO-CYBMUJFWSA-N 0 3 305.378 2.445 20 5 DEBDHN O=[N+]([O-])c1cc2ccccc2nc1NC[C@@H]1CCN(C2CC2)C1 ZINC000555337097 424881086 /nfs/dbraw/zinc/88/10/86/424881086.db2.gz PIESPPLKEDUENL-LBPRGKRZSA-N 0 3 312.373 3.039 20 5 DEBDHN C[C@H]1[C@@H](Nc2nccc3cc([N+](=O)[O-])ccc32)CCCN1C ZINC000450443750 425073822 /nfs/dbraw/zinc/07/38/22/425073822.db2.gz VXNOJAUDPNXRCB-NHYWBVRUSA-N 0 3 300.362 3.038 20 5 DEBDHN O=[N+]([O-])c1cccc(CNC[C@H]2CCCN2c2cccnn2)c1 ZINC000363466781 269064828 /nfs/dbraw/zinc/06/48/28/269064828.db2.gz DPOLZHSBCKIOOI-OAHLLOKOSA-N 0 3 313.361 2.143 20 5 DEBDHN CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)OCC(C)[N+](=O)[O-] ZINC000496836058 269257642 /nfs/dbraw/zinc/25/76/42/269257642.db2.gz PMGFJFINXLDGCS-MNOVXSKESA-N 0 3 318.370 2.134 20 5 DEBDHN CC1(C)CC[C@@H]1NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000517390908 269384941 /nfs/dbraw/zinc/38/49/41/269384941.db2.gz IQOZVCYYESCPPR-ZDUSSCGKSA-N 0 3 321.333 2.040 20 5 DEBDHN C[C@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCCC1 ZINC000518039823 269395805 /nfs/dbraw/zinc/39/58/05/269395805.db2.gz MYUSLNWMNGCNPR-LLVKDONJSA-N 0 3 316.361 2.290 20 5 DEBDHN CCN1C[C@@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000453375625 273679858 /nfs/dbraw/zinc/67/98/58/273679858.db2.gz XIPAUCOIBVTQCT-SWLSCSKDSA-N 0 3 303.362 2.183 20 5 DEBDHN O=C1CCc2cc([N+](=O)[O-])c(N[C@H]3CCN(C4CC4)C3)cc2N1 ZINC000336872807 275018610 /nfs/dbraw/zinc/01/86/10/275018610.db2.gz PXDUFYNWKXAQCY-NSHDSACASA-N 0 3 316.361 2.128 20 5 DEBDHN CC1(C)CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CCN1 ZINC000232813254 275850103 /nfs/dbraw/zinc/85/01/03/275850103.db2.gz FCGIKXHNTPZMNU-UHFFFAOYSA-N 0 3 304.272 2.197 20 5 DEBDHN CC1(C)C[C@@H](N[C@@H]2CCC(=O)NC2)c2cc([N+](=O)[O-])ccc21 ZINC000433127092 275861592 /nfs/dbraw/zinc/86/15/92/275861592.db2.gz QYZNEYQGFHQBAO-QMTHXVAHSA-N 0 3 303.362 2.185 20 5 DEBDHN CN1CCC[C@@]2(CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)C1 ZINC000292642196 277072629 /nfs/dbraw/zinc/07/26/29/277072629.db2.gz BAGUYAFVRWUBLK-OAHLLOKOSA-N 0 3 320.349 2.425 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1N1CCC(CN2CCOCC2)CC1 ZINC000267215980 281258704 /nfs/dbraw/zinc/25/87/04/281258704.db2.gz MQYFVHGCHZJVIB-UHFFFAOYSA-N 0 3 319.405 2.452 20 5 DEBDHN C[C@@H](CN1CCCCC1)NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000079670530 281592157 /nfs/dbraw/zinc/59/21/57/281592157.db2.gz YZFLLCUVHTZURY-ZDUSSCGKSA-N 0 3 320.393 2.268 20 5 DEBDHN CCOC(=O)CC[C@H](O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000567725884 325850124 /nfs/dbraw/zinc/85/01/24/325850124.db2.gz NEWLOLCHWYFDTI-JSGCOSHPSA-N 0 3 324.377 2.258 20 5 DEBDHN COC1(CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCCC1 ZINC000573984358 326111846 /nfs/dbraw/zinc/11/18/46/326111846.db2.gz GXNFIUSDPCBWKQ-UHFFFAOYSA-N 0 3 320.393 2.071 20 5 DEBDHN C[C@H](C(=O)NCCN1CC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000574250355 326136679 /nfs/dbraw/zinc/13/66/79/326136679.db2.gz JJAMHNXVJNLTAX-STQMWFEESA-N 0 3 305.378 2.156 20 5 DEBDHN CC(C)N(C)CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000129510257 519606742 /nfs/dbraw/zinc/60/67/42/519606742.db2.gz OGBWGACHICJKNE-UHFFFAOYSA-N 0 3 305.378 2.426 20 5 DEBDHN CC(C)OCC[C@@H](O)CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000338362717 519770297 /nfs/dbraw/zinc/77/02/97/519770297.db2.gz VGMGAGQPPFNQRI-MRXNPFEDSA-N 0 3 310.394 2.245 20 5 DEBDHN CCOC(=O)[C@H](C)[C@@H](C)NCc1ccc([N+](=O)[O-])cc1OC ZINC000338295832 521222974 /nfs/dbraw/zinc/22/29/74/521222974.db2.gz HYONLEIHMMAMQL-GHMZBOCLSA-N 0 3 310.350 2.281 20 5 DEBDHN COc1ccc(-c2ccc(CNC[C@@H](C)O)o2)c([N+](=O)[O-])c1 ZINC000102418852 523130883 /nfs/dbraw/zinc/13/08/83/523130883.db2.gz IQJADGDBBYOQEV-SNVBAGLBSA-N 0 3 306.318 2.334 20 5 DEBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000493240761 536474810 /nfs/dbraw/zinc/47/48/10/536474810.db2.gz XBFMEQFZKXRXHM-IAQYHMDHSA-N 0 3 321.352 2.290 20 5 DEBDHN CC(C)[C@H]1CN(C)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000330966848 527852498 /nfs/dbraw/zinc/85/24/98/527852498.db2.gz HXVSGDMRIRONEK-OAHLLOKOSA-N 0 3 320.393 2.250 20 5 DEBDHN CCOc1cc(N2CC[C@@H](N3CC=CC3)C2)ccc1[N+](=O)[O-] ZINC000301569861 528312697 /nfs/dbraw/zinc/31/26/97/528312697.db2.gz KQDWPCSLMXILPK-CQSZACIVSA-N 0 3 303.362 2.444 20 5 DEBDHN CCN1CCN([C@H](C)CNc2cccc(C)c2[N+](=O)[O-])CC1 ZINC000302488819 529152171 /nfs/dbraw/zinc/15/21/71/529152171.db2.gz JGBMIRZMUZBJQX-CQSZACIVSA-N 0 3 306.410 2.341 20 5 DEBDHN CCOc1cc(N[C@@H](CO)CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000346100625 535685766 /nfs/dbraw/zinc/68/57/66/535685766.db2.gz JVQZYXKCJOXWNA-CQSZACIVSA-N 0 3 323.393 2.252 20 5 DEBDHN CC[C@H]1CN(CC)CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000451730624 536141623 /nfs/dbraw/zinc/14/16/23/536141623.db2.gz PIWQBGFECGDBJU-AWEZNQCLSA-N 0 3 307.394 2.390 20 5 DEBDHN COc1c([O-])ccc(C[NH2+]C2C[C@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000893259145 625326184 /nfs/dbraw/zinc/32/61/84/625326184.db2.gz CLQZCFVROWBUBQ-UWVGGRQHSA-N 0 3 310.350 2.355 20 5 DEBDHN C[C@H](NC(=O)N1C[C@H](C)NC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000892816702 625628788 /nfs/dbraw/zinc/62/87/88/625628788.db2.gz WTZKTEQAGLRPJV-TUAOUCFPSA-N 0 3 306.366 2.048 20 5 DEBDHN CC1(C(=O)N[C@H]2C[C@@H](NCc3ccccc3[N+](=O)[O-])C2)CC1 ZINC001022116796 624203893 /nfs/dbraw/zinc/20/38/93/624203893.db2.gz KWZSTQAIMLODSI-BETUJISGSA-N 0 3 303.362 2.132 20 5 DEBDHN CCN1C[C@H](C)N(Cc2ccc(O)c(OC)c2[N+](=O)[O-])C[C@@H]1C ZINC000892085238 624775507 /nfs/dbraw/zinc/77/55/07/624775507.db2.gz KYKKRTGJHXZCQQ-RYUDHWBXSA-N 0 3 323.393 2.224 20 5 DEBDHN Cn1nnc2c1C[C@@H](NCc1cc([N+](=O)[O-])ccc1Cl)CC2 ZINC000922993905 636902727 /nfs/dbraw/zinc/90/27/27/636902727.db2.gz PILBWFKYXPDFTM-JTQLQIEISA-N 0 3 321.768 2.024 20 5 DEBDHN COc1cc([N+](=O)[O-])cnc1N[C@H]1CCCN2CCCC[C@H]12 ZINC000894439753 637039873 /nfs/dbraw/zinc/03/98/73/637039873.db2.gz ZXKSUBASSZNJHK-QWHCGFSZSA-N 0 3 306.366 2.427 20 5 DEBDHN COc1c([O-])ccc(C[N@@H+]2CCC[C@]2(C)CCCO)c1[N+](=O)[O-] ZINC000894484289 637065467 /nfs/dbraw/zinc/06/54/67/637065467.db2.gz DWRWMTMHMCZOED-MRXNPFEDSA-N 0 3 324.377 2.436 20 5 DEBDHN COc1c([O-])ccc(C[N@H+]2CCC[C@]2(C)CCCO)c1[N+](=O)[O-] ZINC000894484289 637065470 /nfs/dbraw/zinc/06/54/70/637065470.db2.gz DWRWMTMHMCZOED-MRXNPFEDSA-N 0 3 324.377 2.436 20 5 DEBDHN COc1c(O)ccc(CN2CCC[C@]2(C)CCCO)c1[N+](=O)[O-] ZINC000894484289 637065477 /nfs/dbraw/zinc/06/54/77/637065477.db2.gz DWRWMTMHMCZOED-MRXNPFEDSA-N 0 3 324.377 2.436 20 5 DEBDHN C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000894658342 637152344 /nfs/dbraw/zinc/15/23/44/637152344.db2.gz VNOREUPJNNEEPE-LOWVWBTDSA-N 0 3 312.391 2.069 20 5 DEBDHN Cc1cc(N2CCN(CCCCCO)CC2)ccc1[N+](=O)[O-] ZINC000894962214 637350505 /nfs/dbraw/zinc/35/05/05/637350505.db2.gz SSHKOVWRHTUFAZ-UHFFFAOYSA-N 0 3 307.394 2.188 20 5 DEBDHN CCN(C[C@H]1CCOC1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000738082815 637389701 /nfs/dbraw/zinc/38/97/01/637389701.db2.gz TUDDGFGQJJPZMZ-GFCCVEGCSA-N 0 3 304.350 2.260 20 5 DEBDHN C[C@@H](N[C@H](C)[C@H]1CCS(=O)(=O)C1)c1ccccc1[N+](=O)[O-] ZINC000895944618 638280266 /nfs/dbraw/zinc/28/02/66/638280266.db2.gz UEOBEKWPBLTVJI-UTUOFQBUSA-N 0 3 312.391 2.069 20 5 DEBDHN CCO[C@@H](CNc1cccc([N+](=O)[O-])c1C(C)=O)CN(C)C ZINC000896110210 638366773 /nfs/dbraw/zinc/36/67/73/638366773.db2.gz RGTMJOAMKWBDIK-LBPRGKRZSA-N 0 3 309.366 2.176 20 5 DEBDHN CCOCCOCCNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000896485673 638537298 /nfs/dbraw/zinc/53/72/98/638537298.db2.gz WSMJTSYZPIDMPA-UHFFFAOYSA-N 0 3 319.361 2.338 20 5 DEBDHN O=[N+]([O-])c1cc(F)ccc1NC[C@H]1CCN1C1CCOCC1 ZINC000896515338 638560101 /nfs/dbraw/zinc/56/01/01/638560101.db2.gz ALCKVQJGRJHZCT-CYBMUJFWSA-N 0 3 309.341 2.399 20 5 DEBDHN COc1c(O)ccc(CNC[C@@]2(C)CCCCO2)c1[N+](=O)[O-] ZINC000896923151 639077962 /nfs/dbraw/zinc/07/79/62/639077962.db2.gz GPJQOQKEZNPYNE-OAHLLOKOSA-N 0 3 310.350 2.358 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NCCN2CCC[C@@H]2C)c1C ZINC000897428207 640199072 /nfs/dbraw/zinc/19/90/72/640199072.db2.gz WKXSQZREAMOVHD-LBPRGKRZSA-N 0 3 305.378 2.426 20 5 DEBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC3(CCOC3)CC2)c1 ZINC000761059690 640260888 /nfs/dbraw/zinc/26/08/88/640260888.db2.gz PZVAEDXTWOKOFH-OAHLLOKOSA-N 0 3 306.362 2.131 20 5 DEBDHN Cc1cc(C(=O)NC[C@@H](C)N2CCCCC2)c(N)c([N+](=O)[O-])c1 ZINC000729525459 640788207 /nfs/dbraw/zinc/78/82/07/640788207.db2.gz POJPOGXQUAFPLR-GFCCVEGCSA-N 0 3 320.393 2.090 20 5 DEBDHN CCn1cc([C@@H](C)NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000765847338 640823931 /nfs/dbraw/zinc/82/39/31/640823931.db2.gz BAERHVWDDATVCF-IAQYHMDHSA-N 0 3 304.350 2.195 20 5 DEBDHN Cn1ncc2c1CCC[C@H]2NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765847375 640823996 /nfs/dbraw/zinc/82/39/96/640823996.db2.gz BLPFTSGNUGQNPP-GDBMZVCRSA-N 0 3 316.361 2.029 20 5 DEBDHN CC(C)Oc1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1[N+](=O)[O-] ZINC000842364606 650718525 /nfs/dbraw/zinc/71/85/25/650718525.db2.gz ZNJGBDDOFOBRLM-SECBINFHSA-N 0 3 312.278 2.204 20 5 DEBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC(n3cccn3)CC2)cc1 ZINC000776278498 642152958 /nfs/dbraw/zinc/15/29/58/642152958.db2.gz UASHRHQQMHXMDN-INIZCTEOSA-N 0 3 316.361 2.162 20 5 DEBDHN CCc1nncn1CCN[C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903102688 643249654 /nfs/dbraw/zinc/24/96/54/643249654.db2.gz ATRWRGKPWVVYOG-LLVKDONJSA-N 0 3 319.365 2.108 20 5 DEBDHN C[C@H](Cc1cc(Br)ccc1F)NCC[N+](=O)[O-] ZINC000905186994 643817231 /nfs/dbraw/zinc/81/72/31/643817231.db2.gz KIPMZPOWHUFISJ-MRVPVSSYSA-N 0 3 305.147 2.386 20 5 DEBDHN CC(COC(=O)CCCc1nnc(-c2ccccc2)o1)[N+](=O)[O-] ZINC000813101967 646728413 /nfs/dbraw/zinc/72/84/13/646728413.db2.gz MCJUUNGHUGCNQN-NSHDSACASA-N 0 3 319.317 2.268 20 5 DEBDHN COc1ccc(C)cc1-n1ccc(C(=O)OCC(C)[N+](=O)[O-])n1 ZINC000813102500 646728560 /nfs/dbraw/zinc/72/85/60/646728560.db2.gz GRVVMVKUTUHJBS-LLVKDONJSA-N 0 3 319.317 2.011 20 5 DEBDHN CC(COC(=O)Cc1ccc(Br)c(F)c1)[N+](=O)[O-] ZINC000813104314 646729281 /nfs/dbraw/zinc/72/92/81/646729281.db2.gz MHRQITBSFRUIRX-ZETCQYMHSA-N 0 3 320.114 2.339 20 5 DEBDHN CC(COC(=O)c1ccn(-c2ccccc2Cl)n1)[N+](=O)[O-] ZINC000813105620 646729795 /nfs/dbraw/zinc/72/97/95/646729795.db2.gz QLPUTJSIACODFD-VIFPVBQESA-N 0 3 309.709 2.348 20 5 DEBDHN CC(COC(=O)c1cnn(-c2ccc(Cl)cc2)c1)[N+](=O)[O-] ZINC000813109171 646730326 /nfs/dbraw/zinc/73/03/26/646730326.db2.gz GNIFZBDERRPCAF-SECBINFHSA-N 0 3 309.709 2.348 20 5 DEBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])nnn1-c1cccc(Cl)c1 ZINC000813112351 646731593 /nfs/dbraw/zinc/73/15/93/646731593.db2.gz FUKLJYTVLDRDRD-QMMMGPOBSA-N 0 3 324.724 2.051 20 5 DEBDHN CC(COC(=O)c1cnn(Cc2ccccc2Cl)c1)[N+](=O)[O-] ZINC000813114656 646733206 /nfs/dbraw/zinc/73/32/06/646733206.db2.gz FCZIQMNZQOQHLK-SNVBAGLBSA-N 0 3 323.736 2.407 20 5 DEBDHN CC(COC(=O)CCC(=O)c1ccc2c(c1)CCC2)[N+](=O)[O-] ZINC000813113508 646733350 /nfs/dbraw/zinc/73/33/50/646733350.db2.gz FAVMRAURLZKTKM-LLVKDONJSA-N 0 3 305.330 2.347 20 5 DEBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1-c1ccc(C)cc1 ZINC000813115673 646734117 /nfs/dbraw/zinc/73/41/17/646734117.db2.gz XLNLAGKQCIFZBU-NSHDSACASA-N 0 3 303.318 2.311 20 5 DEBDHN O=[N+]([O-])c1ccccc1CNC[C@@H](O)Cc1ccc(F)cc1 ZINC000818978947 647556018 /nfs/dbraw/zinc/55/60/18/647556018.db2.gz RXPGJXVRAFGRAY-HNNXBMFYSA-N 0 3 304.321 2.427 20 5 DEBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CCc3ccns3)C2)nc1 ZINC000929987794 648009659 /nfs/dbraw/zinc/00/96/59/648009659.db2.gz LXFMXVHUOXIOSV-NSHDSACASA-N 0 3 319.390 2.175 20 5 DEBDHN C[C@H]1CCCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000822104443 648157341 /nfs/dbraw/zinc/15/73/41/648157341.db2.gz YNMCMSAOJQKNNG-NSHDSACASA-N 0 3 309.341 2.196 20 5 DEBDHN CC[C@H](NC(=O)N[C@@H]1CCN(C)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000921334508 648291548 /nfs/dbraw/zinc/29/15/48/648291548.db2.gz NJEHGRSXTBQSQR-BYCMXARLSA-N 0 3 320.393 2.438 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N(C)C[C@H]1CCCN1C ZINC000823752672 648478645 /nfs/dbraw/zinc/47/86/45/648478645.db2.gz IPKSPINCNOEPKV-CYBMUJFWSA-N 0 3 305.378 2.378 20 5 DEBDHN O=[N+]([O-])c1ccc(CN2C[C@H](O)C[C@H]2[C@H]2CCCOC2)cc1F ZINC000830823138 649501169 /nfs/dbraw/zinc/50/11/69/649501169.db2.gz MKLXJUHNLUEPQS-ZENOOKHLSA-N 0 3 324.352 2.096 20 5 DEBDHN CC(=O)C1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000846949604 651363990 /nfs/dbraw/zinc/36/39/90/651363990.db2.gz JLYULTZGJSVCBE-UHFFFAOYSA-N 0 3 319.361 2.224 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1CNCC[S@@](=O)CC(F)(F)F ZINC000850348684 651907269 /nfs/dbraw/zinc/90/72/69/651907269.db2.gz RHPNXHUNHFYBHG-OAQYLSRUSA-N 0 3 324.324 2.304 20 5 DEBDHN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCN[C@@H](C(C)C)C1 ZINC000856488934 651941572 /nfs/dbraw/zinc/94/15/72/651941572.db2.gz HREBDOUZIJIOFV-IVOILVROSA-N 0 3 317.389 2.455 20 5 DEBDHN CC(COC(=O)[C@@H](C(=O)OC(C)(C)C)C1CCCC1)[N+](=O)[O-] ZINC000851035787 652049859 /nfs/dbraw/zinc/04/98/59/652049859.db2.gz AZCAIDZJCYSPOO-JQWIXIFHSA-N 0 3 315.366 2.343 20 5 DEBDHN C[C@H](O)[C@@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000853134145 652507645 /nfs/dbraw/zinc/50/76/45/652507645.db2.gz JRQQGEBSILQHAO-JCURWCKSSA-N 0 3 316.357 2.340 20 5 DEBDHN CN(C[C@H]1CCCN1C)C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000160456141 684327886 /nfs/dbraw/zinc/32/78/86/684327886.db2.gz QEIDRJOGLMLPFU-SNVBAGLBSA-N 0 3 311.769 2.414 20 5 DEBDHN CN1C[C@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3Cl)[C@@H]2C1 ZINC000861809659 686186434 /nfs/dbraw/zinc/18/64/34/686186434.db2.gz YEPVJFWBOHFNAL-BXKDBHETSA-N 0 3 309.753 2.024 20 5 DEBDHN Cc1nnc(CCN(Cc2cccc([N+](=O)[O-])c2)C2CC2)o1 ZINC000929852003 694042812 /nfs/dbraw/zinc/04/28/12/694042812.db2.gz DRUHYTMAXNAGSR-UHFFFAOYSA-N 0 3 302.334 2.493 20 5 DEBDHN COC[C@H](CN1CCN(c2ncccc2[N+](=O)[O-])CC1)C(C)C ZINC000930680605 694216603 /nfs/dbraw/zinc/21/66/03/694216603.db2.gz KGLBMNJULOWECU-AWEZNQCLSA-N 0 3 322.409 2.030 20 5 DEBDHN COc1ccc(NC(=O)N(C)[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000930768869 694237338 /nfs/dbraw/zinc/23/73/38/694237338.db2.gz LFUORRRCSWPSLC-LBPRGKRZSA-N 0 3 322.365 2.161 20 5 DEBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000871763439 688862505 /nfs/dbraw/zinc/86/25/05/688862505.db2.gz HJGVTXFCZJBMTH-KGLIPLIRSA-N 0 3 304.350 2.295 20 5 DEBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000871764317 688863242 /nfs/dbraw/zinc/86/32/42/688863242.db2.gz FSAKINZVCWPMGG-UONOGXRCSA-N 0 3 322.340 2.434 20 5 DEBDHN COC[C@H](CCN[C@@H](C)c1c(F)cccc1[N+](=O)[O-])OC ZINC000872084797 688924015 /nfs/dbraw/zinc/92/40/15/688924015.db2.gz KUMJEIZDIZUHKG-QWRGUYRKSA-N 0 3 300.330 2.436 20 5 DEBDHN COc1cc(N2CC[C@@H]3[C@@H]2CCCN3C)c(F)cc1[N+](=O)[O-] ZINC000872779851 689091970 /nfs/dbraw/zinc/09/19/70/689091970.db2.gz JAYBZOPQZNEOAD-NEPJUHHUSA-N 0 3 309.341 2.415 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1CN1[C@H](C)CC[C@@H](C(N)=O)[C@@H]1C ZINC000930913482 694271532 /nfs/dbraw/zinc/27/15/32/694271532.db2.gz XMWOXSAVTZJQQY-UHIISALHSA-N 0 3 321.377 2.078 20 5 DEBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000874823135 689500017 /nfs/dbraw/zinc/50/00/17/689500017.db2.gz GAMUWEAVBWABNW-CHWSQXEVSA-N 0 3 321.352 2.351 20 5 DEBDHN Cc1c(C(=O)N2CC[C@@H]3[C@@H]2CCCN3C)cccc1[N+](=O)[O-] ZINC000874849606 689518205 /nfs/dbraw/zinc/51/82/05/689518205.db2.gz KKWQQPMEZUKING-CABCVRRESA-N 0 3 303.362 2.212 20 5 DEBDHN O=[N+]([O-])c1ccc(N2CCN(CCC[C@H]3CCO3)CC2)cc1 ZINC000876529472 689848483 /nfs/dbraw/zinc/84/84/83/689848483.db2.gz DOUVUBZDJFDRFU-INIZCTEOSA-N 0 3 305.378 2.286 20 5 DEBDHN CCO[C@@H]1C[C@H](NCc2c(C)ccc([N+](=O)[O-])c2C)[C@H]1OC ZINC000877352591 690086936 /nfs/dbraw/zinc/08/69/36/690086936.db2.gz ZFMOJGMWDKFAGA-NUEKZKHPSA-N 0 3 308.378 2.494 20 5 DEBDHN CCN1[C@H](C)CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000878835678 690510112 /nfs/dbraw/zinc/51/01/12/690510112.db2.gz CTFDUMNWOQZPSD-ZENOOKHLSA-N 0 3 307.394 2.043 20 5 DEBDHN N[C@@H](CC1CC1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000884377880 691722971 /nfs/dbraw/zinc/72/29/71/691722971.db2.gz YTEPRCJDFZAKPP-HNNXBMFYSA-N 0 3 303.362 2.213 20 5 DEBDHN C[C@@H](c1ccccc1)[C@@H](CO)NCc1cccnc1[N+](=O)[O-] ZINC000886136665 692009687 /nfs/dbraw/zinc/00/96/87/692009687.db2.gz TVVCPMUIENUPCJ-SWLSCSKDSA-N 0 3 301.346 2.244 20 5 DEBDHN CCOc1cc(CN2CC[C@H](C3OCCO3)C2)ccc1[N+](=O)[O-] ZINC000932000881 694522885 /nfs/dbraw/zinc/52/28/85/694522885.db2.gz HJWTXCZIEQYBIJ-ZDUSSCGKSA-N 0 3 322.361 2.188 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCC(C)(C)C1 ZINC000890079341 692856565 /nfs/dbraw/zinc/85/65/65/692856565.db2.gz UUHBMHLNLNEIAV-UHFFFAOYSA-N 0 3 305.378 2.365 20 5 DEBDHN COc1ccc(OC(=O)[C@H]2CCN(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000890175936 692882009 /nfs/dbraw/zinc/88/20/09/692882009.db2.gz BWAMMTJKLBXWDS-QWRGUYRKSA-N 0 3 308.334 2.239 20 5 DEBDHN COc1cccc([N+](=O)[O-])c1NC[C@@H]1CCN1C1CCOCC1 ZINC000896521031 693003565 /nfs/dbraw/zinc/00/35/65/693003565.db2.gz BSLKKLJSBJSBPE-ZDUSSCGKSA-N 0 3 321.377 2.269 20 5 DEBDHN Cc1ccccc1[C@H](CO)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001346110355 1150941921 /nfs/dbraw/zinc/94/19/21/1150941921.db2.gz PTWUBNICELPKDF-DLBZAZTESA-N 0 3 316.357 2.260 20 5 DEBDHN COC(=O)Cc1ccc(NC[C@H]2CCCCN2C)c([N+](=O)[O-])c1 ZINC001348380283 1151150881 /nfs/dbraw/zinc/15/08/81/1151150881.db2.gz YHRRHZSFNFDMIG-CYBMUJFWSA-N 0 3 321.377 2.207 20 5 DEBDHN C[C@@H]1CN(c2cc(/C=C/N(C)C)c([N+](=O)[O-])cn2)[C@H](C)CN1C ZINC001164634075 719232733 /nfs/dbraw/zinc/23/27/33/719232733.db2.gz FNDVQKPHIAZHCB-AMRKSYTLSA-N 0 3 319.409 2.051 20 5 DEBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCCOCCCO ZINC001332278889 1149843646 /nfs/dbraw/zinc/84/36/46/1149843646.db2.gz SEFBUOTUDGVACV-NSHDSACASA-N 0 3 314.407 2.366 20 5 DEBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N[C@H](CO)c2cc(F)ccc2F)C1 ZINC001169006497 785000504 /nfs/dbraw/zinc/00/05/04/785000504.db2.gz YESCNTGVLBHSDK-DRCTWCGVSA-N 0 3 300.305 2.033 20 5 DEBDHN O=C(C1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1)C(F)(F)F ZINC001169034573 785011671 /nfs/dbraw/zinc/01/16/71/785011671.db2.gz HZMMELIKYMPULO-GXSJLCMTSA-N 0 3 308.300 2.275 20 5 DEBDHN COC(=O)c1ccc2c(c1)CN([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169046874 785019693 /nfs/dbraw/zinc/01/96/93/785019693.db2.gz OBOCITXRFKBNGT-IAQYHMDHSA-N 0 3 304.346 2.234 20 5 DEBDHN CCCN(C)CC(=O)N(C)CCCNc1ccc([N+](=O)[O-])cc1 ZINC001109496419 785898406 /nfs/dbraw/zinc/89/84/06/785898406.db2.gz UKIQIJXLMGFMKK-UHFFFAOYSA-N 0 3 322.409 2.197 20 5 DEBDHN COc1ccc(C[C@@H](C)NC[C@@H](O)C(F)(F)F)c([N+](=O)[O-])c1 ZINC001170306194 786903229 /nfs/dbraw/zinc/90/32/29/786903229.db2.gz RJPKPFICXKLHOM-PRHODGIISA-N 0 3 322.283 2.047 20 5 DEBDHN Cc1cocc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001132483416 788099304 /nfs/dbraw/zinc/09/93/04/788099304.db2.gz WKZYDNPKNJONQE-UHFFFAOYSA-N 0 3 303.318 2.016 20 5 DEBDHN CC1(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)CC=CC1 ZINC001133328495 788364181 /nfs/dbraw/zinc/36/41/81/788364181.db2.gz SRPZLQIUSWEWOH-UHFFFAOYSA-N 0 3 303.362 2.157 20 5 DEBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)C1(F)CCCCC1 ZINC001146655323 791327143 /nfs/dbraw/zinc/32/71/43/791327143.db2.gz KBSDDGANYITRFE-UHFFFAOYSA-N 0 3 323.368 2.473 20 5 DEBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC(F)(F)[C@@H](CO)C1 ZINC001173229863 793644844 /nfs/dbraw/zinc/64/48/44/793644844.db2.gz VWUINDUVCWHOCN-DGCLKSJQSA-N 0 3 314.332 2.475 20 5 DEBDHN C[C@@H]1CC[C@@H](C)N1CC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001116184621 794942375 /nfs/dbraw/zinc/94/23/75/794942375.db2.gz OUGKUGKDYWYMRA-VXGBXAGGSA-N 0 3 303.362 2.310 20 5 DEBDHN C[C@H]1CC[C@H](C)N1CC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001116184618 794942902 /nfs/dbraw/zinc/94/29/02/794942902.db2.gz OUGKUGKDYWYMRA-RYUDHWBXSA-N 0 3 303.362 2.310 20 5 DEBDHN COc1c([O-])ccc(C[NH2+]CCCC2(O)CCC2)c1[N+](=O)[O-] ZINC001182433951 795676117 /nfs/dbraw/zinc/67/61/17/795676117.db2.gz LXOVVJDSWLWOBJ-UHFFFAOYSA-N 0 3 310.350 2.094 20 5 DEBDHN COc1c(O)ccc(CNCCCC2(O)CCC2)c1[N+](=O)[O-] ZINC001182433951 795676120 /nfs/dbraw/zinc/67/61/20/795676120.db2.gz LXOVVJDSWLWOBJ-UHFFFAOYSA-N 0 3 310.350 2.094 20 5 DEBDHN COc1cc(C)nc(N[C@H]2CCN(C3CCC3)C2)c1[N+](=O)[O-] ZINC001161177807 796141262 /nfs/dbraw/zinc/14/12/62/796141262.db2.gz UPXHXMJAZPPMQY-NSHDSACASA-N 0 3 306.366 2.346 20 5 DEBDHN CC(C)OCCCC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001153450027 797340386 /nfs/dbraw/zinc/34/03/86/797340386.db2.gz QLCUSDZNSGGUAO-UHFFFAOYSA-N 0 3 323.393 2.006 20 5 DEBDHN O=[N+]([O-])c1ccc2nc(Cl)nc(N3CCNC4(CC4)C3)c2c1 ZINC001158936480 798492183 /nfs/dbraw/zinc/49/21/83/798492183.db2.gz GCXXRRSIAYSEDK-UHFFFAOYSA-N 0 3 319.752 2.134 20 5 DEBDHN Cc1ccnc(-n2nc(-c3ccncc3)cc2CN)c1[N+](=O)[O-] ZINC001160338175 798677144 /nfs/dbraw/zinc/67/71/44/798677144.db2.gz UAVWSNBNWOKWAD-UHFFFAOYSA-N 0 3 310.317 2.005 20 5 DEBDHN Cc1cc(CN)nn1-c1cc(C)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001163981814 799472107 /nfs/dbraw/zinc/47/21/07/799472107.db2.gz ULYHGYKJUBUADL-UHFFFAOYSA-N 0 3 324.344 2.313 20 5 DEBDHN CC(C)(C)N1CCN(c2cnc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC001165087799 799648405 /nfs/dbraw/zinc/64/84/05/799648405.db2.gz FMCGHYHHCCUXIC-UHFFFAOYSA-N 0 3 315.377 2.459 20 5 DEBDHN CC(C)N1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC001165199348 799671699 /nfs/dbraw/zinc/67/16/99/799671699.db2.gz QXQJIUHLOVZBFE-GFCCVEGCSA-N 0 3 315.377 2.457 20 5 DEBDHN CC(F)(F)CC(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001166054821 799819952 /nfs/dbraw/zinc/81/99/52/799819952.db2.gz YOVHZARTKRIUPN-UHFFFAOYSA-N 0 3 321.349 2.298 20 5 DEBDHN CN(CCCNC(=O)c1ccoc1)Cc1cccc([N+](=O)[O-])c1 ZINC001233909963 802239073 /nfs/dbraw/zinc/23/90/73/802239073.db2.gz GBTZLBZLIMQVSV-UHFFFAOYSA-N 0 3 317.345 2.440 20 5 DEBDHN CCN1CCC[C@H](Oc2ccc(C(=O)OC)c([N+](=O)[O-])c2)C1 ZINC001234049969 802280402 /nfs/dbraw/zinc/28/04/02/802280402.db2.gz FNXGZSIUTDLILU-LBPRGKRZSA-N 0 3 308.334 2.245 20 5 DEBDHN COC(=O)c1ccc([N+](=O)[O-])cc1OC1CCN(C2CC2)CC1 ZINC001225449354 802967937 /nfs/dbraw/zinc/96/79/37/802967937.db2.gz VKYDPZAWPGXRHE-UHFFFAOYSA-N 0 3 320.345 2.387 20 5 DEBDHN O=[N+]([O-])c1cnc(O[C@H]2CCN(Cc3ccccc3)C2)nc1 ZINC001226730465 803150960 /nfs/dbraw/zinc/15/09/60/803150960.db2.gz GNUZSGLTQNPABE-AWEZNQCLSA-N 0 3 300.318 2.038 20 5 DEBDHN C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1nc3ccc([N+](=O)[O-])cc3[n-]1)C2 ZINC001227744699 803274454 /nfs/dbraw/zinc/27/44/54/803274454.db2.gz HXESMNGLCODIKU-IAZYJMLFSA-N 0 3 302.334 2.475 20 5 DEBDHN C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1nc3ccc([N+](=O)[O-])cc3[n-]1)C2 ZINC001227744699 803274456 /nfs/dbraw/zinc/27/44/56/803274456.db2.gz HXESMNGLCODIKU-IAZYJMLFSA-N 0 3 302.334 2.475 20 5 DEBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1Oc1ncncc1[N+](=O)[O-] ZINC001228661739 803389725 /nfs/dbraw/zinc/38/97/25/803389725.db2.gz ZIBWOHJEKPSXQU-WFASDCNBSA-N 0 3 314.345 2.284 20 5 DEBDHN C[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001603874804 1070132354 /nfs/dbraw/zinc/13/23/54/1070132354.db2.gz PWPTWRLHXODCMA-GHMZBOCLSA-N 0 3 316.365 2.395 20 5 DEBDHN C[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001603874804 1070132356 /nfs/dbraw/zinc/13/23/56/1070132356.db2.gz PWPTWRLHXODCMA-GHMZBOCLSA-N 0 3 316.365 2.395 20 5 DEBDHN CN(C)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cn2)c(F)c1 ZINC001468971120 1059882783 /nfs/dbraw/zinc/88/27/83/1059882783.db2.gz WMCDXTSPDYNJPB-UHFFFAOYSA-N 0 3 318.308 2.443 20 5 DEBDHN CC(C)=CC(=O)NC/C=C/CNCc1ccc([N+](=O)[O-])cc1 ZINC001568810067 1065130654 /nfs/dbraw/zinc/13/06/54/1065130654.db2.gz AILXXEPTSGHRDX-ONEGZZNKSA-N 0 3 303.362 2.323 20 5 DEBDHN CC(C)=CC(=O)NC/C=C\CNCc1ccc([N+](=O)[O-])cc1 ZINC001568810066 1065131474 /nfs/dbraw/zinc/13/14/74/1065131474.db2.gz AILXXEPTSGHRDX-ARJAWSKDSA-N 0 3 303.362 2.323 20 5 DEBDHN CN(C)c1ncc(CNCCOc2ccc([N+](=O)[O-])cc2)s1 ZINC001620772408 1066312405 /nfs/dbraw/zinc/31/24/05/1066312405.db2.gz CVIZBHNICCAMNT-UHFFFAOYSA-N 0 3 322.390 2.286 20 5 DEBDHN Cc1cc([N+](=O)[O-])cc(C(=O)NCCN2CCCC(C)(C)C2)n1 ZINC001634128258 1078420916 /nfs/dbraw/zinc/42/09/16/1078420916.db2.gz RTLJVHGNHBUESP-UHFFFAOYSA-N 0 3 320.393 2.150 20 5 DEBDHN CCN(CC)[C@@H](CNc1nn(C)cc1[N+](=O)[O-])c1ccco1 ZINC001642160914 1078743512 /nfs/dbraw/zinc/74/35/12/1078743512.db2.gz JRFXCCUOJMXTFJ-NSHDSACASA-N 0 3 307.354 2.416 20 5 DEBDHN O=C(Nc1c[nH+]ccc1Nc1ccccc1)c1cc([N+](=O)[O-])n[n-]1 ZINC001557305635 1075061701 /nfs/dbraw/zinc/06/17/01/1075061701.db2.gz DIBLKBXGQDVZMN-UHFFFAOYSA-N 0 3 324.300 2.131 20 5 DEBDHN Cc1c(CN2CCC[C@H](c3cn(C)nn3)C2)cccc1[N+](=O)[O-] ZINC001560218133 1075134080 /nfs/dbraw/zinc/13/40/80/1075134080.db2.gz VGYDYYHBTURFMX-AWEZNQCLSA-N 0 3 315.377 2.411 20 5 DEBDHN COc1ccc(CNCCOc2ncccc2F)cc1[N+](=O)[O-] ZINC001560403385 1075139205 /nfs/dbraw/zinc/13/92/05/1075139205.db2.gz IIIZUTUHMFIDPP-UHFFFAOYSA-N 0 3 321.308 2.306 20 5 DEBDHN C[C@@H]1CC[C@H](C)C[N@H+]1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590227771 1076591691 /nfs/dbraw/zinc/59/16/91/1076591691.db2.gz RHASLODNYKZMIJ-WDEREUQCSA-N 0 3 316.365 2.395 20 5 DEBDHN C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590227771 1076591694 /nfs/dbraw/zinc/59/16/94/1076591694.db2.gz RHASLODNYKZMIJ-WDEREUQCSA-N 0 3 316.365 2.395 20 5 DEBDHN C[C@@H]1CC[C@H](C)C[N@H+]1Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590227771 1076591697 /nfs/dbraw/zinc/59/16/97/1076591697.db2.gz RHASLODNYKZMIJ-WDEREUQCSA-N 0 3 316.365 2.395 20 5 DEBDHN C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590227771 1076591701 /nfs/dbraw/zinc/59/17/01/1076591701.db2.gz RHASLODNYKZMIJ-WDEREUQCSA-N 0 3 316.365 2.395 20 5 DEBDHN CC[C@@H]1CCC[C@@H]1[NH2+]Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590506382 1076643762 /nfs/dbraw/zinc/64/37/62/1076643762.db2.gz GALAVLNWBLQUIS-MFKMUULPSA-N 0 3 316.365 2.443 20 5 DEBDHN CC[C@@H]1CCC[C@@H]1[NH2+]Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590506382 1076643764 /nfs/dbraw/zinc/64/37/64/1076643764.db2.gz GALAVLNWBLQUIS-MFKMUULPSA-N 0 3 316.365 2.443 20 5 DEBDHN C[C@@H]1CC[N@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])[C@@H]1C ZINC001609167813 1077782181 /nfs/dbraw/zinc/78/21/81/1077782181.db2.gz BUEHQDLZOJRWOP-NXEZZACHSA-N 0 3 302.338 2.005 20 5 DEBDHN C[C@@H]1CC[N@@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])[C@@H]1C ZINC001609167813 1077782186 /nfs/dbraw/zinc/78/21/86/1077782186.db2.gz BUEHQDLZOJRWOP-NXEZZACHSA-N 0 3 302.338 2.005 20 5 DEBDHN C[C@@H]1CC[N@H+](Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])[C@@H]1C ZINC001609167813 1077782195 /nfs/dbraw/zinc/78/21/95/1077782195.db2.gz BUEHQDLZOJRWOP-NXEZZACHSA-N 0 3 302.338 2.005 20 5 DEBDHN C[C@@H]1CC[N@@H+](Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])[C@@H]1C ZINC001609167813 1077782199 /nfs/dbraw/zinc/78/21/99/1077782199.db2.gz BUEHQDLZOJRWOP-NXEZZACHSA-N 0 3 302.338 2.005 20 5 DEBDHN CCC(=O)NC1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001654790615 1079977833 /nfs/dbraw/zinc/97/78/33/1079977833.db2.gz FCKAPXCSIUWUDS-UHFFFAOYSA-N 0 3 305.378 2.128 20 5 DEBDHN O=C(CNC1([C@H]2CCCO2)CCC1)Nc1ccccc1[N+](=O)[O-] ZINC001656523014 1080099249 /nfs/dbraw/zinc/09/92/49/1080099249.db2.gz AKFZIHDWVUKSRN-CQSZACIVSA-N 0 3 319.361 2.225 20 5 DEBDHN O=[N+]([O-])c1ccc(CNC[C@@H](O)COCc2ccccc2)cc1 ZINC000077221260 1080443041 /nfs/dbraw/zinc/44/30/41/1080443041.db2.gz FNNBNKNZAKTZPV-QGZVFWFLSA-N 0 3 316.357 2.262 20 5 DEBDHN Cc1[nH]ccc1C(=O)N(C)CCNCc1cccc([N+](=O)[O-])c1 ZINC001266671480 1082268253 /nfs/dbraw/zinc/26/82/53/1082268253.db2.gz RCTDONLIHLTERR-UHFFFAOYSA-N 0 3 316.361 2.093 20 5 DEBDHN O=[N+]([O-])c1c(Cl)cc(Cl)nc1-n1cnc2c1CNCC2 ZINC001164313687 1089450794 /nfs/dbraw/zinc/45/07/94/1089450794.db2.gz OYUDDQYGVZHNOB-UHFFFAOYSA-N 0 3 314.132 2.128 20 5 DEBDHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)CC1CC1 ZINC001273236810 1090482617 /nfs/dbraw/zinc/48/26/17/1090482617.db2.gz ICOMRWSFTLMJOT-UHFFFAOYSA-N 0 3 305.378 2.333 20 5 DEBDHN CCOC(=O)C[C@@H]1CCCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001320585807 1140882826 /nfs/dbraw/zinc/88/28/26/1140882826.db2.gz XISACVWYXUVWJU-GJZGRUSLSA-N 0 3 322.361 2.046 20 5 DEBDHN O=C(CC1CC1)NC/C=C\CNCc1ccc([N+](=O)[O-])cc1 ZINC001320938705 1141000200 /nfs/dbraw/zinc/00/02/00/1141000200.db2.gz HAAYXKDPOJAINN-UPHRSURJSA-N 0 3 303.362 2.157 20 5 DEBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCNC[C@H]1C(F)(F)F ZINC001246985760 1141216858 /nfs/dbraw/zinc/21/68/58/1141216858.db2.gz BVNBEGCMZWRTTG-MFKMUULPSA-N 0 3 317.311 2.362 20 5 DEBDHN CC(=O)NC1CCN([C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254550166 1143244703 /nfs/dbraw/zinc/24/47/03/1143244703.db2.gz DXCJUGMIRLZMRR-LBPRGKRZSA-N 0 3 305.378 2.126 20 5 DEBDHN Cn1cncc1C1CC[NH+](Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC001308165770 1147450794 /nfs/dbraw/zinc/45/07/94/1147450794.db2.gz DKGRFCRIPNOEPK-UHFFFAOYSA-N 0 3 316.361 2.414 20 5 DEBDHN Cc1nc2n(n1)C[C@H](N[C@H](C)c1ccccc1[N+](=O)[O-])CC2 ZINC000266522603 282127640 /nfs/dbraw/zinc/12/76/40/282127640.db2.gz ZVADRBWBZFYRDZ-ZYHUDNBSSA-N 0 3 301.350 2.160 20 5 DEBDHN C[C@H](C(=O)N1CCN2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1F ZINC000185234702 282260951 /nfs/dbraw/zinc/26/09/51/282260951.db2.gz LEJKYQQABRTFQJ-WCQYABFASA-N 0 3 321.352 2.144 20 5 DEBDHN C[C@@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCOCC1 ZINC000177902062 186201745 /nfs/dbraw/zinc/20/17/45/186201745.db2.gz ARENPUNCDBKLAN-LLVKDONJSA-N 0 3 322.361 2.366 20 5 DEBDHN CCN(CCOc1ccc(OC)cc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000173589478 198231076 /nfs/dbraw/zinc/23/10/76/198231076.db2.gz BUJBFIZTWZIQBU-AWEZNQCLSA-N 0 3 324.377 2.483 20 5 DEBDHN CCN(CCNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000617718542 363230505 /nfs/dbraw/zinc/23/05/05/363230505.db2.gz OTAUYJFPXPBXSZ-GFCCVEGCSA-N 0 3 305.378 2.299 20 5 DEBDHN COC1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000041897012 354181020 /nfs/dbraw/zinc/18/10/20/354181020.db2.gz ZMGKVPPBCZFBHZ-UHFFFAOYSA-N 0 3 321.377 2.343 20 5 DEBDHN O=[N+]([O-])c1ccc(CN2CCC(CN3CCOCC3)CC2)cc1 ZINC000051958527 354391585 /nfs/dbraw/zinc/39/15/85/354391585.db2.gz YVHSNOFMARXPSK-UHFFFAOYSA-N 0 3 319.405 2.139 20 5 DEBDHN CCN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@H]1CCOC1 ZINC000052072121 354392961 /nfs/dbraw/zinc/39/29/61/354392961.db2.gz RNIRAOJVSKJLIN-GFCCVEGCSA-N 0 3 322.361 2.320 20 5 DEBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000065674424 354687241 /nfs/dbraw/zinc/68/72/41/354687241.db2.gz ZCOOZKGLZPLYAU-STQMWFEESA-N 0 3 305.378 2.445 20 5 DEBDHN COC[C@@](C)(O)CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000069912447 354880259 /nfs/dbraw/zinc/88/02/59/354880259.db2.gz XEQYENXRVNEQRL-INIZCTEOSA-N 0 3 320.345 2.342 20 5 DEBDHN CCO[C@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000076403932 355146864 /nfs/dbraw/zinc/14/68/64/355146864.db2.gz QUXKASFLDPCWKU-HNNXBMFYSA-N 0 3 321.377 2.424 20 5 DEBDHN CCOC(=O)C[C@@H](C)N(C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000182621624 356134906 /nfs/dbraw/zinc/13/49/06/356134906.db2.gz QNYVJTMDFCNADB-LLVKDONJSA-N 0 3 310.350 2.377 20 5 DEBDHN Cc1cc(Cc2noc([C@H]3CCN(C)C3)n2)ccc1[N+](=O)[O-] ZINC000350159969 356509962 /nfs/dbraw/zinc/50/99/62/356509962.db2.gz GVQJTFQNTROVRF-LBPRGKRZSA-N 0 3 302.334 2.296 20 5 DEBDHN Cc1cccc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000578854422 356882586 /nfs/dbraw/zinc/88/25/86/356882586.db2.gz IKZUERLSXVVVAR-HNNXBMFYSA-N 0 3 316.357 2.433 20 5 DEBDHN O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1C[C@H]2CCC[C@@H](C1)N2 ZINC000591435839 357721706 /nfs/dbraw/zinc/72/17/06/357721706.db2.gz VAVXBZVPAPQLIB-DTORHVGOSA-N 0 3 316.283 2.339 20 5 DEBDHN CCO[C@@H]1CCC[C@H]1N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000452014992 283285114 /nfs/dbraw/zinc/28/51/14/283285114.db2.gz LMXMBMSSYJRIJJ-KCPJHIHWSA-N 0 3 321.377 2.469 20 5 DEBDHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC000594203879 358223605 /nfs/dbraw/zinc/22/36/05/358223605.db2.gz VGISQHJLZOYPMH-CABCVRRESA-N 0 3 303.362 2.342 20 5 DEBDHN CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)OCC(C)[N+](=O)[O-] ZINC000495902666 283349446 /nfs/dbraw/zinc/34/94/46/283349446.db2.gz KRJUSFPLHSEUQI-IINYFYTJSA-N 0 3 318.370 2.278 20 5 DEBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCCOC[C@@H]1CCOC1 ZINC000594495596 358283190 /nfs/dbraw/zinc/28/31/90/358283190.db2.gz QRHKVPFQHWBKHR-IUODEOHRSA-N 0 3 306.362 2.225 20 5 DEBDHN CCO[C@@H]1COCC[C@@H]1N[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595033720 358381093 /nfs/dbraw/zinc/38/10/93/358381093.db2.gz SOFCYEWLJMLDKA-DIOULYMOSA-N 0 3 324.377 2.448 20 5 DEBDHN CCCn1nccc1CNCCOc1ccc([N+](=O)[O-])cc1 ZINC000594927083 358360703 /nfs/dbraw/zinc/36/07/03/358360703.db2.gz UGLJQHGSUXCPFZ-UHFFFAOYSA-N 0 3 304.350 2.370 20 5 DEBDHN Cc1c([C@@H](C)NCCOc2ccc([N+](=O)[O-])cc2)cnn1C ZINC000180871165 199221476 /nfs/dbraw/zinc/22/14/76/199221476.db2.gz RURAWBQEZNDKIP-LLVKDONJSA-N 0 3 304.350 2.366 20 5 DEBDHN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])CC1=CCCOC1 ZINC000595748174 358539920 /nfs/dbraw/zinc/53/99/20/358539920.db2.gz XRTPCIXBMOYAGV-UHFFFAOYSA-N 0 3 319.361 2.202 20 5 DEBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@@H]([C@@H]3CCCCO3)C2)c1 ZINC000595785611 358548973 /nfs/dbraw/zinc/54/89/73/358548973.db2.gz FSTMUCJSUQFWCQ-HIFRSBDPSA-N 0 3 308.382 2.072 20 5 DEBDHN C[C@@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])[C@@H]1CCO ZINC000595703600 358528255 /nfs/dbraw/zinc/52/82/55/358528255.db2.gz UQIDVHBUGIHGIR-ZIAGYGMSSA-N 0 3 308.378 2.457 20 5 DEBDHN CCCN1CC[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000598342289 359169165 /nfs/dbraw/zinc/16/91/65/359169165.db2.gz LSHFZZFKRWCTKA-NSHDSACASA-N 0 3 316.361 2.290 20 5 DEBDHN CCOc1ccc(C(=O)N2CCN[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000598577043 359247618 /nfs/dbraw/zinc/24/76/18/359247618.db2.gz UIZLBHLIBSYYMP-ZDUSSCGKSA-N 0 3 321.377 2.064 20 5 DEBDHN O=[N+]([O-])c1ccc(NCCN2CC[C@@H](O)C2)c(C(F)(F)F)c1 ZINC000599175472 359425861 /nfs/dbraw/zinc/42/58/61/359425861.db2.gz CKLWSLSQQNASPV-SNVBAGLBSA-N 0 3 319.283 2.092 20 5 DEBDHN CN(CCn1cc([N+](=O)[O-])cn1)CC1(c2ccccc2)CC1 ZINC000189326026 200382107 /nfs/dbraw/zinc/38/21/07/200382107.db2.gz QHJUHDVOMVAUAG-UHFFFAOYSA-N 0 3 300.362 2.455 20 5 DEBDHN CCN(CC)CCSc1ncc(C(=O)OC)cc1[N+](=O)[O-] ZINC000189329216 200383472 /nfs/dbraw/zinc/38/34/72/200383472.db2.gz PTVVJHPXQIJKDT-UHFFFAOYSA-N 0 3 313.379 2.210 20 5 DEBDHN CC[C@](C)(CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)OC ZINC000602476211 360395142 /nfs/dbraw/zinc/39/51/42/360395142.db2.gz WNFCLGIQNJAPHA-SWLSCSKDSA-N 0 3 308.382 2.291 20 5 DEBDHN Cn1cc(CCCNCc2nc3cc([N+](=O)[O-])ccc3o2)cn1 ZINC000602526195 360417514 /nfs/dbraw/zinc/41/75/14/360417514.db2.gz DMUVEYRDTVWZEC-UHFFFAOYSA-N 0 3 315.333 2.192 20 5 DEBDHN C[C@H](O)CCNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602639455 360473009 /nfs/dbraw/zinc/47/30/09/360473009.db2.gz SEBLUKIJGLHJEY-LURJTMIESA-N 0 3 309.185 2.279 20 5 DEBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNC[C@@H](O)C1CC1 ZINC000602654615 360477422 /nfs/dbraw/zinc/47/74/22/360477422.db2.gz DGDSPGLQPUAMJP-GFCCVEGCSA-N 0 3 304.268 2.474 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC([C@H]2CCCCO2)CC1 ZINC000602901022 360616551 /nfs/dbraw/zinc/61/65/51/360616551.db2.gz QTDNUGCBYFKENU-OAHLLOKOSA-N 0 3 322.409 2.381 20 5 DEBDHN CN(CCCN(C)c1ncc([N+](=O)[O-])s1)Cc1ccncc1 ZINC000603398492 360817240 /nfs/dbraw/zinc/81/72/40/360817240.db2.gz AEAJAZTWMQGENU-UHFFFAOYSA-N 0 3 321.406 2.405 20 5 DEBDHN CN(CCCO)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000281499265 216345722 /nfs/dbraw/zinc/34/57/22/216345722.db2.gz ATPHCJLLPVGVTE-UHFFFAOYSA-N 0 3 305.334 2.107 20 5 DEBDHN C[C@H]1CN(c2sccc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000611414304 361595803 /nfs/dbraw/zinc/59/58/03/361595803.db2.gz QZIIWCMKGJPOAZ-QWHCGFSZSA-N 0 3 324.450 2.119 20 5 DEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000275485773 212365334 /nfs/dbraw/zinc/36/53/34/212365334.db2.gz FHUSFJZDBOAEII-ZIAGYGMSSA-N 0 3 321.421 2.433 20 5 DEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCc1ccnc2ccnn21 ZINC000449221998 240218171 /nfs/dbraw/zinc/21/81/71/240218171.db2.gz BTVSKUAONYDWJP-LBPRGKRZSA-N 0 3 311.345 2.358 20 5 DEBDHN C[C@H](N[C@@H]1CCC(=O)N[C@@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000340614488 299358565 /nfs/dbraw/zinc/35/85/65/299358565.db2.gz NKDMBAKIVOMQNQ-DRZCJDIDSA-N 0 3 303.362 2.303 20 5 DEBDHN CO[C@@H]1CCCC[C@@H]1N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000275199154 212190290 /nfs/dbraw/zinc/19/02/90/212190290.db2.gz HPOKIXPGVLVRLZ-TUKIKUTGSA-N 0 3 321.377 2.469 20 5 DEBDHN CNC(=O)[C@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000093360582 193238993 /nfs/dbraw/zinc/23/89/93/193238993.db2.gz IEHOUVPNZIYJAV-GBXSZLQWSA-N 0 3 303.362 2.066 20 5 DEBDHN CO[C@H]1C[C@H](NCC(=O)Nc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000453129351 244955416 /nfs/dbraw/zinc/95/54/16/244955416.db2.gz XWKSYCPQAMDNMY-KBPBESRZSA-N 0 3 319.361 2.081 20 5 DEBDHN CN(C[C@@H]1CCCN1C)C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000493089182 249217660 /nfs/dbraw/zinc/21/76/60/249217660.db2.gz VYKBPNKLUKOKCN-CMUBDUJZSA-N 0 3 303.362 2.161 20 5 DEBDHN COCCN1CC[C@H](N[C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000532513208 284700728 /nfs/dbraw/zinc/70/07/28/284700728.db2.gz TZGTVYKQWPZKJV-KGLIPLIRSA-N 0 3 307.394 2.275 20 5 DEBDHN COc1cc(C(=O)N(CCN(C)C)CC(C)C)ccc1[N+](=O)[O-] ZINC000104529927 194014088 /nfs/dbraw/zinc/01/40/88/194014088.db2.gz WBZDCUXSGPEDIW-UHFFFAOYSA-N 0 3 323.393 2.263 20 5 DEBDHN COc1ccc(OCCN(C)C[C@@H]2CCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000159447710 197354481 /nfs/dbraw/zinc/35/44/81/197354481.db2.gz AOIUODIZXHSWCE-WFASDCNBSA-N 0 3 324.377 2.075 20 5 DEBDHN CN(C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C1CCN(C)CC1 ZINC000268906009 207074153 /nfs/dbraw/zinc/07/41/53/207074153.db2.gz AGTOXVVQYNGFTG-UHFFFAOYSA-N 0 3 316.361 2.242 20 5 DEBDHN Cc1cc(C(=O)N[C@@H](C)C2=CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000272933770 210319757 /nfs/dbraw/zinc/31/97/57/210319757.db2.gz LGLGNYVSGBUONC-LBPRGKRZSA-N 0 3 303.362 2.283 20 5 DEBDHN Cc1c(CN2CCC(Cn3ccnn3)CC2)cccc1[N+](=O)[O-] ZINC000156064657 197084024 /nfs/dbraw/zinc/08/40/24/197084024.db2.gz AAMUASZNBQLXPA-UHFFFAOYSA-N 0 3 315.377 2.407 20 5 DEBDHN COC[C@H](N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000544415044 285348430 /nfs/dbraw/zinc/34/84/30/285348430.db2.gz GDIORGKKVSDDFD-OCCSQVGLSA-N 0 3 323.393 2.491 20 5 DEBDHN COc1cccc([C@H](C)NCCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000271623937 209068415 /nfs/dbraw/zinc/06/84/15/209068415.db2.gz DMINWGRMPWZTHA-LBPRGKRZSA-N 0 3 317.345 2.116 20 5 DEBDHN C[C@H](NC(=O)NCC1=CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000297486600 533636590 /nfs/dbraw/zinc/63/65/90/533636590.db2.gz FHXMRELSFMFPHF-LBPRGKRZSA-N 0 3 318.377 2.217 20 5 DEBDHN O=[N+]([O-])c1cnn(CCN2CCC(OC3CCCC3)CC2)c1 ZINC000174838139 132511103 /nfs/dbraw/zinc/51/11/03/132511103.db2.gz CTLAJXVOPOGSDU-UHFFFAOYSA-N 0 3 308.382 2.215 20 5 DEBDHN C[C@H](N[C@@H](C)[C@@H]1CCCOC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000355345749 133019616 /nfs/dbraw/zinc/01/96/16/133019616.db2.gz KMFMRKOVMIYSIN-RWMBFGLXSA-N 0 3 321.377 2.327 20 5 DEBDHN CNC(=O)[C@@H]1CCC[C@H]1N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000358236188 133130331 /nfs/dbraw/zinc/13/03/31/133130331.db2.gz ABZSGIGODZFAMZ-MRVWCRGKSA-N 0 3 305.378 2.469 20 5 DEBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCN(C)CC1 ZINC000184653329 144947537 /nfs/dbraw/zinc/94/75/37/144947537.db2.gz OCEKEBCLZBTFGN-CQSZACIVSA-N 0 3 319.405 2.374 20 5 DEBDHN Cc1cccc(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000549799180 285857281 /nfs/dbraw/zinc/85/72/81/285857281.db2.gz ALNFPCHLSVFGPK-INIZCTEOSA-N 0 3 316.357 2.433 20 5 DEBDHN COC(=O)[C@@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000249102593 145178815 /nfs/dbraw/zinc/17/88/15/145178815.db2.gz PTRGOLFNRYKZHJ-SWLSCSKDSA-N 0 3 306.362 2.268 20 5 DEBDHN CCOC[C@H](O)CNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000319717068 145372830 /nfs/dbraw/zinc/37/28/30/145372830.db2.gz QUUCWADLPBAOKZ-GFCCVEGCSA-N 0 3 305.334 2.261 20 5 DEBDHN CNc1c(C(=O)N[C@@H](C)CN2CCCCC2)cccc1[N+](=O)[O-] ZINC000322212895 145378377 /nfs/dbraw/zinc/37/83/77/145378377.db2.gz WEGNAARXLFIJGA-LBPRGKRZSA-N 0 3 320.393 2.241 20 5 DEBDHN C[C@H]1C[C@@H]1N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000346280320 146053524 /nfs/dbraw/zinc/05/35/24/146053524.db2.gz VQDDYQJKMRRSRJ-XEZPLFJOSA-N 0 3 317.389 2.397 20 5 DEBDHN CN1CC[C@@](O)(CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000358308409 147110867 /nfs/dbraw/zinc/11/08/67/147110867.db2.gz OULKOXPRZAAUMD-GFCCVEGCSA-N 0 3 319.283 2.092 20 5 DEBDHN Cc1c(CNC(=O)N[C@H]2CCN(C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000358927257 147232272 /nfs/dbraw/zinc/23/22/72/147232272.db2.gz GMXOKBBDYDSVPI-RISCZKNCSA-N 0 3 320.393 2.185 20 5 DEBDHN Cc1c(CNC(=O)NCC2(N(C)C)CCC2)cccc1[N+](=O)[O-] ZINC000359280675 147298299 /nfs/dbraw/zinc/29/82/99/147298299.db2.gz HZJCVXNJBUHPLA-UHFFFAOYSA-N 0 3 320.393 2.187 20 5 DEBDHN CCOc1ccc([C@H](C)NC[C@]2(OC)CCOC2)cc1[N+](=O)[O-] ZINC000359414957 147324294 /nfs/dbraw/zinc/32/42/94/147324294.db2.gz IGMAQDXYVLHZLJ-BLLLJJGKSA-N 0 3 324.377 2.450 20 5 DEBDHN Cc1c(NC(=O)CCN2CCOC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000374349800 148234807 /nfs/dbraw/zinc/23/48/07/148234807.db2.gz IOUAEMCFDINLNR-GFCCVEGCSA-N 0 3 321.377 2.200 20 5 DEBDHN CC(C)CN(CCN(C)C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000129132464 401799783 /nfs/dbraw/zinc/79/97/83/401799783.db2.gz SOXCWNXEAVVZAV-UHFFFAOYSA-N 0 3 322.409 2.324 20 5 DEBDHN CCN1CCCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000078596950 401857186 /nfs/dbraw/zinc/85/71/86/401857186.db2.gz RXCOIZMOYULXGJ-CMDGGOBGSA-N 0 3 303.362 2.162 20 5 DEBDHN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@@H](N2CCCC2)C1 ZINC000133056566 401878613 /nfs/dbraw/zinc/87/86/13/401878613.db2.gz NBWGNNMXHJSXCK-CYBMUJFWSA-N 0 3 321.352 2.434 20 5 DEBDHN CN(C)[C@H]1CCCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000068340631 402194384 /nfs/dbraw/zinc/19/43/84/402194384.db2.gz MWJOGVCCRVYESI-LBPRGKRZSA-N 0 3 316.361 2.242 20 5 DEBDHN CN(C)[C@H]1CCCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000068342040 402194633 /nfs/dbraw/zinc/19/46/33/402194633.db2.gz YYPZQZGKOYAUMM-HBWSCVEGSA-N 0 3 303.362 2.161 20 5 DEBDHN Cc1cc(NC(=O)N(C)CCN2CCCC2)ccc1[N+](=O)[O-] ZINC000153846388 402175247 /nfs/dbraw/zinc/17/52/47/402175247.db2.gz JRGACZSXMVFYCQ-UHFFFAOYSA-N 0 3 306.366 2.463 20 5 DEBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@H](Nc3ccccc3)C2)n1 ZINC000154851532 402236137 /nfs/dbraw/zinc/23/61/37/402236137.db2.gz PVATXOYCXGEAOZ-HNNXBMFYSA-N 0 3 315.377 2.368 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](C)CN1CCN(C)CC1 ZINC000155004478 402241501 /nfs/dbraw/zinc/24/15/01/402241501.db2.gz GASFAZRFTOPSFV-GJZGRUSLSA-N 0 3 320.437 2.190 20 5 DEBDHN CN1CCC[C@@H](CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000108338873 402250670 /nfs/dbraw/zinc/25/06/70/402250670.db2.gz UDNQERMWIJMLMX-MRZGDXHCSA-N 0 3 303.362 2.066 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](C)CN1CCOCC1 ZINC000156782951 402288314 /nfs/dbraw/zinc/28/83/14/402288314.db2.gz SPKDNPSCQCNGQW-KGLIPLIRSA-N 0 3 307.394 2.275 20 5 DEBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCNC(C)(C)C1 ZINC000184838823 402302991 /nfs/dbraw/zinc/30/29/91/402302991.db2.gz XZKOXPXCSAPAHZ-CQSZACIVSA-N 0 3 319.405 2.374 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000177068158 402366380 /nfs/dbraw/zinc/36/63/80/402366380.db2.gz LWWMWDHQFOVURW-VXGBXAGGSA-N 0 3 303.362 2.258 20 5 DEBDHN C[C@@H]1C[C@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000177105488 402370445 /nfs/dbraw/zinc/37/04/45/402370445.db2.gz KDQPLCZIJVUKFS-VQSVOGCMSA-N 0 3 315.373 2.349 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)CC1(O)CCOCC1 ZINC000189789168 402558779 /nfs/dbraw/zinc/55/87/79/402558779.db2.gz JCWSPARWBZXTOG-ZDUSSCGKSA-N 0 3 308.378 2.438 20 5 DEBDHN CC(C)OCCCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173463818 402698782 /nfs/dbraw/zinc/69/87/82/402698782.db2.gz YBFIRNJFODBHTQ-ZDUSSCGKSA-N 0 3 308.382 2.291 20 5 DEBDHN Cc1c([C@H](C)NC[C@@H](O)c2cccc([N+](=O)[O-])c2)cnn1C ZINC000183470380 402770224 /nfs/dbraw/zinc/77/02/24/402770224.db2.gz HPVPMQUEFHMGFI-ZUZCIYMTSA-N 0 3 304.350 2.021 20 5 DEBDHN CCOC1CC(O)(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000278420711 402865900 /nfs/dbraw/zinc/86/59/00/402865900.db2.gz IMVXJRNRPWESMU-ARWYELJZSA-N 0 3 320.389 2.492 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC1=CCN(C)CC1 ZINC000272051207 402891355 /nfs/dbraw/zinc/89/13/55/402891355.db2.gz ZJUFWWFZNVEMPB-UHFFFAOYSA-N 0 3 304.350 2.287 20 5 DEBDHN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CCCC[C@@H]1O ZINC000272512156 402946433 /nfs/dbraw/zinc/94/64/33/402946433.db2.gz KENHDHAGHMOXGU-BPUTZDHNSA-N 0 3 308.378 2.111 20 5 DEBDHN C[C@H](N[C@H]1CCC[C@@H]1CCO)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000279221096 402918121 /nfs/dbraw/zinc/91/81/21/402918121.db2.gz IBRNFNGNIRPJIA-XQQFMLRXSA-N 0 3 321.377 2.063 20 5 DEBDHN Cc1cc(N2CCN(CC3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000265473445 402922241 /nfs/dbraw/zinc/92/22/41/402922241.db2.gz DJEPBYYREOCCFP-UHFFFAOYSA-N 0 3 319.405 2.452 20 5 DEBDHN CC[C@@H]1CN([C@@H](C)c2ccccc2[N+](=O)[O-])CCN1C[C@@H](C)O ZINC000266544500 402972849 /nfs/dbraw/zinc/97/28/49/402972849.db2.gz RMIIGALDHHYYEV-QLFBSQMISA-N 0 3 321.421 2.433 20 5 DEBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000267728913 403040332 /nfs/dbraw/zinc/04/03/32/403040332.db2.gz UJXQDTRGMCGSJH-PWSUYJOCSA-N 0 3 308.338 2.279 20 5 DEBDHN CC1=C(C)CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000280828673 403040928 /nfs/dbraw/zinc/04/09/28/403040928.db2.gz VRNXQAIUGOEANP-AWEZNQCLSA-N 0 3 306.362 2.377 20 5 DEBDHN CC(C)(O)CCNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000274742786 403083425 /nfs/dbraw/zinc/08/34/25/403083425.db2.gz KLWZXUPFWPTEAV-UHFFFAOYSA-N 0 3 304.293 2.447 20 5 DEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCC23CCC3)cc1 ZINC000282861041 403162555 /nfs/dbraw/zinc/16/25/55/403162555.db2.gz UQQHMRYZSJQKPY-AWEZNQCLSA-N 0 3 324.402 2.291 20 5 DEBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCN(C3CCCC3)CC2)c1 ZINC000269682303 403156632 /nfs/dbraw/zinc/15/66/32/403156632.db2.gz ROCZKKBAQHWFFL-KRWDZBQOSA-N 0 3 319.405 2.188 20 5 DEBDHN Cc1cccc(CN(C)CCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000270580575 403202584 /nfs/dbraw/zinc/20/25/84/403202584.db2.gz QSCFPROZSCFXGE-UHFFFAOYSA-N 0 3 301.346 2.197 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000277571752 403232039 /nfs/dbraw/zinc/23/20/39/403232039.db2.gz LFCRDNPBMGUIEK-BXUZGUMPSA-N 0 3 321.377 2.016 20 5 DEBDHN CCOCC[C@@H](O)CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000277607297 403236195 /nfs/dbraw/zinc/23/61/95/403236195.db2.gz FOGAFFBRVZDQPQ-MRXNPFEDSA-N 0 3 308.378 2.347 20 5 DEBDHN O=C(NC[C@H]1CCCCN1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000277767229 403254486 /nfs/dbraw/zinc/25/44/86/403254486.db2.gz DGQWCARTOWXSHI-OAHLLOKOSA-N 0 3 303.362 2.342 20 5 DEBDHN O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H]1CCCCN1C1CC1 ZINC000277927794 403271635 /nfs/dbraw/zinc/27/16/35/403271635.db2.gz NNSNQKAQEOSITH-MRXNPFEDSA-N 0 3 317.389 2.270 20 5 DEBDHN CCCN(CCN1CCCCC1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000342803478 403355092 /nfs/dbraw/zinc/35/50/92/403355092.db2.gz ZBHIYASUFZADBJ-UHFFFAOYSA-N 0 3 322.409 2.271 20 5 DEBDHN Cc1c(CC(=O)N[C@@H]2CCN(C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000331245115 403361097 /nfs/dbraw/zinc/36/10/97/403361097.db2.gz LTLXUYVCEXPTEJ-BXUZGUMPSA-N 0 3 305.378 2.045 20 5 DEBDHN CCCN(CCN1CCCC1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000285973122 403422634 /nfs/dbraw/zinc/42/26/34/403422634.db2.gz NPGANALICMTUSA-KRWDZBQOSA-N 0 3 321.421 2.436 20 5 DEBDHN CC(=O)N1CC[C@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000332010277 403464054 /nfs/dbraw/zinc/46/40/54/403464054.db2.gz FNXWOZOORVCHSR-BBRMVZONSA-N 0 3 303.362 2.183 20 5 DEBDHN O=[N+]([O-])c1cnc2c(c1)CN(CCCO[C@@H]1CCCCO1)CC2 ZINC000332029531 403465968 /nfs/dbraw/zinc/46/59/68/403465968.db2.gz NTPNWZHJBXHDGE-MRXNPFEDSA-N 0 3 321.377 2.281 20 5 DEBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000299098206 403520018 /nfs/dbraw/zinc/52/00/18/403520018.db2.gz QQNSRAPTMPZIPB-OLZOCXBDSA-N 0 3 305.378 2.445 20 5 DEBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NCCN1CCC[C@@H](C)C1 ZINC000301096832 403589584 /nfs/dbraw/zinc/58/95/84/403589584.db2.gz JLUBSICNTUXKIS-GFCCVEGCSA-N 0 3 320.393 2.098 20 5 DEBDHN O=C([C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1)N1CCCC1 ZINC000287295844 403570320 /nfs/dbraw/zinc/57/03/20/403570320.db2.gz ITHASXBKOLGZOX-AWEZNQCLSA-N 0 3 303.362 2.039 20 5 DEBDHN Cc1c(NC(=O)N2CCN(C)CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000340245181 403575291 /nfs/dbraw/zinc/57/52/91/403575291.db2.gz CNMOUGLZQIMDPH-LLVKDONJSA-N 0 3 306.366 2.461 20 5 DEBDHN C[C@@H](CN(C)C)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000287343760 403579147 /nfs/dbraw/zinc/57/91/47/403579147.db2.gz YXLZCEARQCZOEC-JTQLQIEISA-N 0 3 311.357 2.078 20 5 DEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC[C@@H](C(N)=O)C1 ZINC000347335012 403668315 /nfs/dbraw/zinc/66/83/15/403668315.db2.gz JUQZUJIWGFOADW-CEFACKQISA-N 0 3 303.362 2.195 20 5 DEBDHN C[C@@H]1C[C@H](Nc2ncnc3cccc([N+](=O)[O-])c32)CCN1C ZINC000347463406 403718853 /nfs/dbraw/zinc/71/88/53/403718853.db2.gz MLZHUELVVGWFLC-GHMZBOCLSA-N 0 3 301.350 2.433 20 5 DEBDHN CC(=O)N1C[C@@H]2CCC[C@H](NCc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000344131262 403931440 /nfs/dbraw/zinc/93/14/40/403931440.db2.gz VUSUIPPJRFQMFG-XHSDSOJGSA-N 0 3 317.389 2.331 20 5 DEBDHN C[C@@H](CNc1cccc(C(N)=O)c1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000341523074 404015155 /nfs/dbraw/zinc/01/51/55/404015155.db2.gz HTRWIKLMGGLVHN-NEPJUHHUSA-N 0 3 320.393 2.226 20 5 DEBDHN CCN(C)C(=O)[C@@H](NCc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000296068284 404078094 /nfs/dbraw/zinc/07/80/94/404078094.db2.gz BVGOQZXNZAZXTF-HNNXBMFYSA-N 0 3 307.394 2.496 20 5 DEBDHN Cc1c(CN(C)C(C)(C)CN2CCOCC2)cccc1[N+](=O)[O-] ZINC000412073557 404109331 /nfs/dbraw/zinc/10/93/31/404109331.db2.gz AAMVPZGNVWTCJV-UHFFFAOYSA-N 0 3 321.421 2.446 20 5 DEBDHN COC(=O)[C@@]1(C)CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000412110641 404140588 /nfs/dbraw/zinc/14/05/88/404140588.db2.gz VDULYEMAVUMJHU-INIZCTEOSA-N 0 3 322.361 2.249 20 5 DEBDHN CC(C)N1CCN([C@@H]2CCN(c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000363916653 404250931 /nfs/dbraw/zinc/25/09/31/404250931.db2.gz BPEIQJIESIRMSB-OAHLLOKOSA-N 0 3 318.421 2.200 20 5 DEBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@H](O)CC(F)(F)F ZINC000352538962 404444238 /nfs/dbraw/zinc/44/42/38/404444238.db2.gz RIDRVJIIFDYDFM-LLVKDONJSA-N 0 3 306.284 2.382 20 5 DEBDHN CCC[C@]1(NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCOC1 ZINC000352821280 404646258 /nfs/dbraw/zinc/64/62/58/404646258.db2.gz AKPPKZXLZHRJOD-INIZCTEOSA-N 0 3 321.377 2.391 20 5 DEBDHN O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H](N2CCCC2)C1 ZINC000373980903 404661161 /nfs/dbraw/zinc/66/11/61/404661161.db2.gz KSABDDNJOZBLHE-CQSZACIVSA-N 0 3 304.350 2.297 20 5 DEBDHN C[C@H](N[C@@H]1CCC[C@@]1(C)CO)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000351491998 404603033 /nfs/dbraw/zinc/60/30/33/404603033.db2.gz ISCVEJIJJVSJGA-PEYYIBSZSA-N 0 3 321.377 2.063 20 5 DEBDHN C[C@H](NC(=O)N1CCN[C@H](C)[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000417140691 405047395 /nfs/dbraw/zinc/04/73/95/405047395.db2.gz QJKJTEBQBDDSIL-GRYCIOLGSA-N 0 3 306.366 2.048 20 5 DEBDHN CCO[C@@H]1CCC[C@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000452010319 405126018 /nfs/dbraw/zinc/12/60/18/405126018.db2.gz DZJGQXPHBHUYJQ-TZMCWYRMSA-N 0 3 307.350 2.081 20 5 DEBDHN CCC[C@H](O)[C@H](CO)NC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000419826147 405268590 /nfs/dbraw/zinc/26/85/90/405268590.db2.gz QOCUIDJQVBHYDA-HFWIMWPKSA-N 0 3 308.378 2.110 20 5 DEBDHN Cc1cc(N2CCNC[C@@H]2C)c(Br)cc1[N+](=O)[O-] ZINC000420219308 405296432 /nfs/dbraw/zinc/29/64/32/405296432.db2.gz QESVSANTFSZHNR-VIFPVBQESA-N 0 3 314.183 2.464 20 5 DEBDHN CC(C)[C@@H]1CN(C)CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000425479459 405296972 /nfs/dbraw/zinc/29/69/72/405296972.db2.gz OCPWSIGRQCAIEQ-INIZCTEOSA-N 0 3 307.394 2.246 20 5 DEBDHN C[C@@H](NC(=O)N(C)C[C@@H]1CCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000420824868 405391166 /nfs/dbraw/zinc/39/11/66/405391166.db2.gz RGCREPMFJAUASG-DOMZBBRYSA-N 0 3 320.393 2.391 20 5 DEBDHN O=[N+]([O-])c1ccccc1CNC[C@@H](O)Cc1cccc(F)c1 ZINC000449364112 405525740 /nfs/dbraw/zinc/52/57/40/405525740.db2.gz PZPKZSINOACJKC-HNNXBMFYSA-N 0 3 304.321 2.427 20 5 DEBDHN CNC(=O)C[C@@H](C)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000449604792 405638018 /nfs/dbraw/zinc/63/80/18/405638018.db2.gz UUFLXZAXEWVVHX-LLVKDONJSA-N 0 3 317.345 2.469 20 5 DEBDHN Cc1c(C(=O)N(C)[C@H]2CCN(C(C)C)C2)cccc1[N+](=O)[O-] ZINC000457085171 405688387 /nfs/dbraw/zinc/68/83/87/405688387.db2.gz MJJUMXMBKXQTQR-ZDUSSCGKSA-N 0 3 305.378 2.458 20 5 DEBDHN CN(C)CC(C)(C)NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000457208734 405752964 /nfs/dbraw/zinc/75/29/64/405752964.db2.gz BSBACSOUOFBQKN-UHFFFAOYSA-N 0 3 322.409 2.243 20 5 DEBDHN CS[C@H]1CN(c2nc(C)ccc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000547708057 406435866 /nfs/dbraw/zinc/43/58/66/406435866.db2.gz UQLHHBSVEATFLK-KBPBESRZSA-N 0 3 322.434 2.314 20 5 DEBDHN O=C(/C=C\c1cccc([N+](=O)[O-])c1)NC1CCN(C2CC2)CC1 ZINC000490948255 406510386 /nfs/dbraw/zinc/51/03/86/406510386.db2.gz MTWOLYAJXYBVAZ-DAXSKMNVSA-N 0 3 315.373 2.351 20 5 DEBDHN C[C@@H]1C[C@@H](NC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CCN1C ZINC000491913866 406776508 /nfs/dbraw/zinc/77/65/08/406776508.db2.gz KJLIABQPOPFEDV-OZAOCKQISA-N 0 3 321.352 2.346 20 5 DEBDHN CN1CCC[C@H](CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000555959377 406858911 /nfs/dbraw/zinc/85/89/11/406858911.db2.gz XSEUDSGIJAOHCG-CYBMUJFWSA-N 0 3 319.405 2.330 20 5 DEBDHN C[C@H](C(=O)N(C)[C@H]1CCN(C)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000555312662 406840740 /nfs/dbraw/zinc/84/07/40/406840740.db2.gz SJDFANPZIQAFHI-WWGRRREGSA-N 0 3 319.405 2.497 20 5 DEBDHN CN(C)CCN(Cc1ccccn1)c1ncc([N+](=O)[O-])s1 ZINC000192500725 225135493 /nfs/dbraw/zinc/13/54/93/225135493.db2.gz BJWBAYCNIJXFGD-UHFFFAOYSA-N 0 3 307.379 2.015 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@H](O)[C@@H]1CCOC1)CCCC2 ZINC000417314670 229007585 /nfs/dbraw/zinc/00/75/85/229007585.db2.gz ZNYHWPIGZOANST-XYPHTWIQSA-N 0 3 320.389 2.349 20 5 DEBDHN Cc1ccc([C@H](C)NC(=O)N2CCN[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000417859654 229128296 /nfs/dbraw/zinc/12/82/96/229128296.db2.gz WWKBRJAPMJQLMG-AVGNSLFASA-N 0 3 320.393 2.356 20 5 DEBDHN CC(C)Oc1nc(N[C@H]2C[C@@H](C)N(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000594566122 425013152 /nfs/dbraw/zinc/01/31/52/425013152.db2.gz AWPAWFFTCOLKQL-NEPJUHHUSA-N 0 3 320.393 2.814 20 5 DEBDHN CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC(C)[N+](=O)[O-] ZINC000496775394 269250844 /nfs/dbraw/zinc/25/08/44/269250844.db2.gz TYMUURQPSZQREI-DCAQKATOSA-N 0 3 318.370 2.134 20 5 DEBDHN CCc1cc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)ccn1 ZINC000516907888 269371894 /nfs/dbraw/zinc/37/18/94/269371894.db2.gz NUENWZNVAJVIBV-UHFFFAOYSA-N 0 3 313.361 2.274 20 5 DEBDHN CN(C)CCN(C(=O)c1cc([N+](=O)[O-])cn1C)C1CCCCC1 ZINC000517692988 269389671 /nfs/dbraw/zinc/38/96/71/269389671.db2.gz YDQRIOSTSMTVGS-UHFFFAOYSA-N 0 3 322.409 2.270 20 5 DEBDHN COC[C@H](CCO)N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279200974 274048731 /nfs/dbraw/zinc/04/87/31/274048731.db2.gz XHQNTOFHAKTSEA-NHYWBVRUSA-N 0 3 308.378 2.304 20 5 DEBDHN O=C1[C@H](N2CC[C@H](C3CC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000344022130 275030062 /nfs/dbraw/zinc/03/00/62/275030062.db2.gz CVTNTBPRCSTVQE-XJKSGUPXSA-N 0 3 315.373 2.432 20 5 DEBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CC[C@H]3CCCO3)C2)nc1 ZINC000249301537 275037133 /nfs/dbraw/zinc/03/71/33/275037133.db2.gz NRUSXUMPWZZOTF-GXTWGEPZSA-N 0 3 306.366 2.045 20 5 DEBDHN CC(C)c1n[nH]c(C(=O)NCCN2CCCC2(C)C)c1[N+](=O)[O-] ZINC000457053182 276041383 /nfs/dbraw/zinc/04/13/83/276041383.db2.gz KBPKBAVUNGTOGV-UHFFFAOYSA-N 0 3 323.397 2.046 20 5 DEBDHN CN1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H]2C1 ZINC000272255888 290160495 /nfs/dbraw/zinc/16/04/95/290160495.db2.gz ZEPAYNHQSOTSRY-YGRLFVJLSA-N 0 3 306.322 2.033 20 5 DEBDHN O=C([C@H]1CNCc2ccccc21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000575124219 326221050 /nfs/dbraw/zinc/22/10/50/326221050.db2.gz WBGVXHISBNXUPP-INIZCTEOSA-N 0 3 323.352 2.371 20 5 DEBDHN CC(C)c1cccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000575742610 326241946 /nfs/dbraw/zinc/24/19/46/326241946.db2.gz OBBJFHDGVWNCKL-MRXNPFEDSA-N 0 3 318.377 2.065 20 5 DEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCC2(C3CC3)CC2)cc1 ZINC000580064204 332923495 /nfs/dbraw/zinc/92/34/95/332923495.db2.gz PCRZSMVVLPTNDJ-UHFFFAOYSA-N 0 3 324.402 2.148 20 5 DEBDHN CCO[C@@H]1C[C@H]1N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000577702948 341930247 /nfs/dbraw/zinc/93/02/47/341930247.db2.gz SPQIJHBXTIFXES-LERXQTSPSA-N 0 3 307.350 2.079 20 5 DEBDHN Cc1cnccc1CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000567771499 500994126 /nfs/dbraw/zinc/99/41/26/500994126.db2.gz HIQBSNXRZXZXLJ-UHFFFAOYSA-N 0 3 315.377 2.374 20 5 DEBDHN CCCCN1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000338444605 520586996 /nfs/dbraw/zinc/58/69/96/520586996.db2.gz ZAMGDVZRRHSMTG-LBPRGKRZSA-N 0 3 308.382 2.307 20 5 DEBDHN CCNC(=O)[C@H](NC/C=C/c1ccccc1[N+](=O)[O-])C(C)C ZINC000339430868 521746000 /nfs/dbraw/zinc/74/60/00/521746000.db2.gz CKQODDFWXGZZRT-LOWQCSRCSA-N 0 3 305.378 2.358 20 5 DEBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CC[C@@H]3CCCO3)C2)nc1 ZINC000189677502 527367779 /nfs/dbraw/zinc/36/77/79/527367779.db2.gz NRUSXUMPWZZOTF-OCCSQVGLSA-N 0 3 306.366 2.045 20 5 DEBDHN CCN(C)CCNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)OC ZINC000447805107 527802950 /nfs/dbraw/zinc/80/29/50/527802950.db2.gz HOPKZLIBVMEVHS-UHFFFAOYSA-N 0 3 315.757 2.398 20 5 DEBDHN CCCNC(=O)CCCN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000411335808 528360206 /nfs/dbraw/zinc/36/02/06/528360206.db2.gz QOLSIEKUPWNWBP-UHFFFAOYSA-N 0 3 305.378 2.259 20 5 DEBDHN CC(C)[C@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000492994235 535209004 /nfs/dbraw/zinc/20/90/04/535209004.db2.gz ZQKCCDAPZGNXQB-YXMGTMDOSA-N 0 3 317.389 2.407 20 5 DEBDHN CCO[C@@H]1C[C@H](N[C@H](C)Cc2ccccc2[N+](=O)[O-])[C@H]1OC ZINC000449245003 535517204 /nfs/dbraw/zinc/51/72/04/535517204.db2.gz XOWAVTZRUPTGOL-WXYCVUISSA-N 0 3 308.378 2.308 20 5 DEBDHN CCO[C@@H]1CCC[C@H]1NCC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000452010793 535752687 /nfs/dbraw/zinc/75/26/87/535752687.db2.gz FPAUDVGGMYGMKG-TZMCWYRMSA-N 0 3 321.377 2.389 20 5 DEBDHN CNC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000348168362 536362052 /nfs/dbraw/zinc/36/20/52/536362052.db2.gz QYDLVPMKDRRDIV-NEPJUHHUSA-N 0 3 311.769 2.253 20 5 DEBDHN CC[NH+](CC)CCSc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736530907 599323306 /nfs/dbraw/zinc/32/33/06/599323306.db2.gz OXPFSJKKCDOLMW-UHFFFAOYSA-N 0 3 322.394 2.209 20 5 DEBDHN CC[NH+](CC)CCSc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736530907 599323308 /nfs/dbraw/zinc/32/33/08/599323308.db2.gz OXPFSJKKCDOLMW-UHFFFAOYSA-N 0 3 322.394 2.209 20 5 DEBDHN COc1c([O-])ccc(C[NH2+]C[C@H]2CCO[C@H](C)C2)c1[N+](=O)[O-] ZINC000893293695 625408552 /nfs/dbraw/zinc/40/85/52/625408552.db2.gz ASDAIXFRELEWLA-MNOVXSKESA-N 0 3 310.350 2.214 20 5 DEBDHN CC(COC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)[N+](=O)[O-] ZINC000813100936 623292263 /nfs/dbraw/zinc/29/22/63/623292263.db2.gz YSCKFZRZMYQWAC-JGVFFNPUSA-N 0 3 300.242 2.046 20 5 DEBDHN CC(COC(=O)CCC(=O)c1ccc(F)c(F)c1)[N+](=O)[O-] ZINC000813114626 623401320 /nfs/dbraw/zinc/40/13/20/623401320.db2.gz UTSSJSSNQRBPNU-QMMMGPOBSA-N 0 3 301.245 2.136 20 5 DEBDHN COc1c([O-])ccc(C[NH2+][C@H]2CCO[C@@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000893620468 635154513 /nfs/dbraw/zinc/15/45/13/635154513.db2.gz JTKOJCYWIRHNKG-GXTWGEPZSA-N 0 3 322.361 2.356 20 5 DEBDHN COc1cc([N+](=O)[O-])cnc1N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000894439752 637039685 /nfs/dbraw/zinc/03/96/85/637039685.db2.gz ZXKSUBASSZNJHK-OLZOCXBDSA-N 0 3 306.366 2.427 20 5 DEBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000923315831 637106373 /nfs/dbraw/zinc/10/63/73/637106373.db2.gz MTPVEHXMYRABFO-XTPGFYLFSA-N 0 3 315.373 2.303 20 5 DEBDHN CC(C)Oc1cc(C(=O)N[C@@H]2CCN(C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000928432205 637191694 /nfs/dbraw/zinc/19/16/94/637191694.db2.gz QIEXYQXHGHOOFQ-WCQYABFASA-N 0 3 321.377 2.204 20 5 DEBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H]3COCO3)o2)cc1 ZINC000894871391 637278346 /nfs/dbraw/zinc/27/83/46/637278346.db2.gz DDSPTPQMZSCKHH-CQSZACIVSA-N 0 3 304.302 2.317 20 5 DEBDHN C[C@H]1CCCN1CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000742241014 638052209 /nfs/dbraw/zinc/05/22/09/638052209.db2.gz MXWRTAYEAHVKQI-JTQLQIEISA-N 0 3 311.769 2.462 20 5 DEBDHN CC(C)NC(=O)c1ccc(N[C@H]2CCN(C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000895739005 638170788 /nfs/dbraw/zinc/17/07/88/638170788.db2.gz VDTOYBAKJRHGRG-YPMHNXCESA-N 0 3 320.393 2.238 20 5 DEBDHN CCN1CCCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000748593389 638576665 /nfs/dbraw/zinc/57/66/65/638576665.db2.gz XKOATVTVYPEMJK-UHFFFAOYSA-N 0 3 308.407 2.319 20 5 DEBDHN O=[N+]([O-])c1cc(Cl)ccc1CNC[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000896855298 638732204 /nfs/dbraw/zinc/73/22/04/638732204.db2.gz LTTHHUVLBLIMEE-OSMZGAPFSA-N 0 3 312.753 2.142 20 5 DEBDHN O=[N+]([O-])c1ccc(CNCCO[C@@H]2CCOC2)cc1Cl ZINC000897200756 639236789 /nfs/dbraw/zinc/23/67/89/639236789.db2.gz BAPKXXSQXZWATN-LLVKDONJSA-N 0 3 300.742 2.143 20 5 DEBDHN CCOCCOCCNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000897206020 639241927 /nfs/dbraw/zinc/24/19/27/639241927.db2.gz ZXOVLUTVZJMKDS-UHFFFAOYSA-N 0 3 302.758 2.391 20 5 DEBDHN Cc1cc(C)c(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)c(=O)[nH]1 ZINC000776275083 642151949 /nfs/dbraw/zinc/15/19/49/642151949.db2.gz JELRPXYOCYOXTE-HNNXBMFYSA-N 0 3 317.345 2.135 20 5 DEBDHN Cc1ccsc1[C@H](CO)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000778165951 642347130 /nfs/dbraw/zinc/34/71/30/642347130.db2.gz VLBNBICWRWTNJL-UONOGXRCSA-N 0 3 322.386 2.321 20 5 DEBDHN CC[C@]1(CO)CCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000778329119 642373850 /nfs/dbraw/zinc/37/38/50/642373850.db2.gz FGFVWDGVXLNCCM-CVEARBPZSA-N 0 3 308.378 2.113 20 5 DEBDHN Cc1ccccc1[C@H](CO)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000782080077 642823456 /nfs/dbraw/zinc/82/34/56/642823456.db2.gz BQHCAJQNTFJZQZ-DLBZAZTESA-N 0 3 316.357 2.260 20 5 DEBDHN O=[N+]([O-])c1ccc(N2CCN(CC[C@H]3CCOC3)CC2)cc1 ZINC000783506721 643012103 /nfs/dbraw/zinc/01/21/03/643012103.db2.gz NJPKFAGTGCHXKJ-AWEZNQCLSA-N 0 3 305.378 2.143 20 5 DEBDHN CO[C@@]1(CNCc2ccc([N+](=O)[O-])c(Cl)c2)CCOC1 ZINC000783676476 643036935 /nfs/dbraw/zinc/03/69/35/643036935.db2.gz GNIWVMBTBRLLMC-CYBMUJFWSA-N 0 3 300.742 2.143 20 5 DEBDHN COc1cc([C@H](C)NCCOC[C@@H]2CCCO2)cc([N+](=O)[O-])c1 ZINC000903098758 643248681 /nfs/dbraw/zinc/24/86/81/643248681.db2.gz UDBYYVYLQHRYPJ-WFASDCNBSA-N 0 3 324.377 2.450 20 5 DEBDHN O=[N+]([O-])c1cccc(CNC[C@@H](O)CC2(O)CCCCC2)c1 ZINC000905066402 643785669 /nfs/dbraw/zinc/78/56/69/643785669.db2.gz PMAUJUGQHMERGC-HNNXBMFYSA-N 0 3 308.378 2.131 20 5 DEBDHN Cc1cc([C@H](C)NCCOc2ccc([N+](=O)[O-])cc2)n(C)n1 ZINC000793543354 644270772 /nfs/dbraw/zinc/27/07/72/644270772.db2.gz ZQJUSFXBGGVMAG-LBPRGKRZSA-N 0 3 304.350 2.366 20 5 DEBDHN C[C@H](O)C[C@@H]1CCCN1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000155443653 644871229 /nfs/dbraw/zinc/87/12/29/644871229.db2.gz JBKGFHSQEBIJPO-AAEUAGOBSA-N 0 3 304.350 2.137 20 5 DEBDHN C/C(=C/C(=O)N1CC[C@H](N2CCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000912911771 646205347 /nfs/dbraw/zinc/20/53/47/646205347.db2.gz OISBIVFBWVTVPU-KVNDZABWSA-N 0 3 315.373 2.305 20 5 DEBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1-c1cccc(C)c1 ZINC000813102030 646728748 /nfs/dbraw/zinc/72/87/48/646728748.db2.gz NKANVYLDRFIUJL-LLVKDONJSA-N 0 3 303.318 2.311 20 5 DEBDHN CCc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1-c1ccc(F)cc1 ZINC000813110343 646730358 /nfs/dbraw/zinc/73/03/58/646730358.db2.gz YHBNTTTZTCHFQT-JTQLQIEISA-N 0 3 321.308 2.396 20 5 DEBDHN Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813107247 646730707 /nfs/dbraw/zinc/73/07/07/646730707.db2.gz NNPPAIUGFMJWLX-VIFPVBQESA-N 0 3 321.308 2.450 20 5 DEBDHN COc1ccc(C2(C(=O)OCC(C)[N+](=O)[O-])CCC2)cc1OC ZINC000813110822 646731497 /nfs/dbraw/zinc/73/14/97/646731497.db2.gz KDDWSVSLWXFJKD-NSHDSACASA-N 0 3 323.345 2.334 20 5 DEBDHN CC(COC(=O)c1cc2sc(N(C)C)nc2s1)[N+](=O)[O-] ZINC000813114322 646732271 /nfs/dbraw/zinc/73/22/71/646732271.db2.gz PQJHCNNVRHOCGS-LURJTMIESA-N 0 3 315.376 2.246 20 5 DEBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])c(C)n1Cc1ccncc1 ZINC000813113452 646732820 /nfs/dbraw/zinc/73/28/20/646732820.db2.gz QBXPFHCACFGGNZ-LBPRGKRZSA-N 0 3 317.345 2.370 20 5 DEBDHN Cc1nn(CC(C)C)c(C)c1CCC(=O)OCC(C)[N+](=O)[O-] ZINC000813114332 646733007 /nfs/dbraw/zinc/73/30/07/646733007.db2.gz QANYTGXPQVMBLC-LLVKDONJSA-N 0 3 311.382 2.297 20 5 DEBDHN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813114154 646733246 /nfs/dbraw/zinc/73/32/46/646733246.db2.gz ZHYMRLOQFXIHLU-IAQYHMDHSA-N 0 3 318.329 2.159 20 5 DEBDHN COC[C@@](C)(O)CCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000824559168 648610392 /nfs/dbraw/zinc/61/03/92/648610392.db2.gz ISHQUMCYGWAOMZ-ZDUSSCGKSA-N 0 3 302.758 2.125 20 5 DEBDHN COC(=O)N(C)CCNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000827377058 649026181 /nfs/dbraw/zinc/02/61/81/649026181.db2.gz OLXBTNGOQPXSBZ-UHFFFAOYSA-N 0 3 301.730 2.036 20 5 DEBDHN CC[C@@H](C)N1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000829244292 649287047 /nfs/dbraw/zinc/28/70/47/649287047.db2.gz VMVBBMVULYRLGW-GFCCVEGCSA-N 0 3 303.366 2.163 20 5 DEBDHN CC[C@@H](C)N1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000832186198 649682957 /nfs/dbraw/zinc/68/29/57/649682957.db2.gz DNFOMXNEMVKXSB-CZUORRHYSA-N 0 3 307.394 2.044 20 5 DEBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@@]3(CCOC3)C2)c1 ZINC000832348906 649700244 /nfs/dbraw/zinc/70/02/44/649700244.db2.gz UASPVTYITJKNNG-HZPDHXFCSA-N 0 3 306.362 2.131 20 5 DEBDHN CCC[C@@H](C)[C@H](CO)NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000844373922 651119990 /nfs/dbraw/zinc/11/99/90/651119990.db2.gz AMGUZAKQXXWCBO-MFKMUULPSA-N 0 3 311.338 2.390 20 5 DEBDHN CC([C@@H](OC(=O)c1cnn(C)c1)c1ccccc1F)[N+](=O)[O-] ZINC000845872563 651291240 /nfs/dbraw/zinc/29/12/40/651291240.db2.gz JSPXNEYZNTTZDX-NOZJJQNGSA-N 0 3 307.281 2.123 20 5 DEBDHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)c1cc([N+](=O)[O-])ccc1F ZINC000847255845 651384706 /nfs/dbraw/zinc/38/47/06/651384706.db2.gz MPNDFNHIUVEKSS-HUUCEWRRSA-N 0 3 321.352 2.481 20 5 DEBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCN[C@H](C(C)C)C1 ZINC000856491150 651942572 /nfs/dbraw/zinc/94/25/72/651942572.db2.gz YLKBTDXJYYQYSF-LBPRGKRZSA-N 0 3 309.341 2.112 20 5 DEBDHN CC1(C)CC[C@H](CO)N(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000856803986 651988749 /nfs/dbraw/zinc/98/87/49/651988749.db2.gz OKZFAJZBTQIDBT-HUUCEWRRSA-N 0 3 308.378 2.111 20 5 DEBDHN CC(COC(=O)[C@H](C(=O)OC(C)(C)C)C(C)(C)C)[N+](=O)[O-] ZINC000851036125 652049954 /nfs/dbraw/zinc/04/99/54/652049954.db2.gz FRXGRKSNJJIIFE-NXEZZACHSA-N 0 3 303.355 2.199 20 5 DEBDHN C[C@H](O)[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000853134147 652507604 /nfs/dbraw/zinc/50/76/04/652507604.db2.gz JRQQGEBSILQHAO-ZLIFDBKOSA-N 0 3 316.357 2.340 20 5 DEBDHN Cc1ccc(NC(=O)N2CC[C@@H]3CN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000929118805 693899647 /nfs/dbraw/zinc/89/96/47/693899647.db2.gz SKADROZYPRNQMT-BXUZGUMPSA-N 0 3 304.350 2.071 20 5 DEBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)C1CCN(C)CC1 ZINC000929122317 693900834 /nfs/dbraw/zinc/90/08/34/693900834.db2.gz PNICAKUJJAHLHE-UHFFFAOYSA-N 0 3 323.418 2.483 20 5 DEBDHN CC(C)CN1CCN(c2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865407584 687200476 /nfs/dbraw/zinc/20/04/76/687200476.db2.gz FSZMYFBOCSYEBX-UHFFFAOYSA-N 0 3 311.357 2.004 20 5 DEBDHN Cc1cc(C(=O)N2CCN(C)C(C)(C)CC2)ccc1[N+](=O)[O-] ZINC000871150081 688735536 /nfs/dbraw/zinc/73/55/36/688735536.db2.gz JVTJXVDHICHKAS-UHFFFAOYSA-N 0 3 305.378 2.460 20 5 DEBDHN COC[C@H](O)CCN[C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872054294 688919688 /nfs/dbraw/zinc/91/96/88/688919688.db2.gz SITMBJWFEBWVGH-ZYHUDNBSSA-N 0 3 314.407 2.365 20 5 DEBDHN Cc1c(CNC[C@H]2CN(CC(C)C)CCO2)cccc1[N+](=O)[O-] ZINC000873009204 689140048 /nfs/dbraw/zinc/14/00/48/689140048.db2.gz ZATMTGFENJDOCW-INIZCTEOSA-N 0 3 321.421 2.350 20 5 DEBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000874837505 689511793 /nfs/dbraw/zinc/51/17/93/689511793.db2.gz KMORWANVOZPQHH-QWHCGFSZSA-N 0 3 307.325 2.043 20 5 DEBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000874840303 689513047 /nfs/dbraw/zinc/51/30/47/689513047.db2.gz MDFYCVQVRQDJAX-KGLIPLIRSA-N 0 3 307.325 2.043 20 5 DEBDHN O=C1NCCC12CCN(Cc1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC000877782472 690226685 /nfs/dbraw/zinc/22/66/85/690226685.db2.gz AELNWMSPPGQEJT-UHFFFAOYSA-N 0 3 323.780 2.350 20 5 DEBDHN C[C@@H]1[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CCN1C ZINC000931297333 694359536 /nfs/dbraw/zinc/35/95/36/694359536.db2.gz IBBSRMWTPHGUML-BDAKNGLRSA-N 0 3 312.757 2.462 20 5 DEBDHN COc1ccc(OCCN2C[C@H](OC)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000879320680 690618517 /nfs/dbraw/zinc/61/85/17/690618517.db2.gz KYCJNOHBTSQXHA-GXTWGEPZSA-N 0 3 324.377 2.482 20 5 DEBDHN N[C@H](CC1CC1)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000884129363 691661635 /nfs/dbraw/zinc/66/16/35/691661635.db2.gz FOCIXSSKELJWMP-OAHLLOKOSA-N 0 3 305.378 2.161 20 5 DEBDHN COC[C@H](NCc1csc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000886359495 692066140 /nfs/dbraw/zinc/06/61/40/692066140.db2.gz DDCUKZNQRBXHFC-RYUDHWBXSA-N 0 3 300.380 2.188 20 5 DEBDHN C[C@@H](NC[C@@H](O)C[C@](C)(O)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000932179240 694568582 /nfs/dbraw/zinc/56/85/82/694568582.db2.gz WNUKDELNKWNCSW-RLCCDNCMSA-N 0 3 308.378 2.157 20 5 DEBDHN C[C@@H](NC(=O)N[C@H]1CCN(C)[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000925252410 693247255 /nfs/dbraw/zinc/24/72/55/693247255.db2.gz KKHQAZDFZMCDJL-SUNKGSAMSA-N 0 3 306.366 2.048 20 5 DEBDHN C[C@@H](NCC(C)(C)CS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000926953892 693535089 /nfs/dbraw/zinc/53/50/89/693535089.db2.gz OLCOKSKATAWGHB-LLVKDONJSA-N 0 3 314.407 2.316 20 5 DEBDHN Cc1[nH]cnc1C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC001344014708 1150792152 /nfs/dbraw/zinc/79/21/52/1150792152.db2.gz ZHRJDATWUKWJLN-ZANVPECISA-N 0 3 307.281 2.421 20 5 DEBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C)C(C)(C)CC1 ZINC001348788856 1151195166 /nfs/dbraw/zinc/19/51/66/1151195166.db2.gz JGDPIUUKMPWWLA-UHFFFAOYSA-N 0 3 320.393 2.193 20 5 DEBDHN CC(C)CN1CCN(c2cc([N+](=O)[O-])c3cc[nH]c3n2)CC1 ZINC001164654707 719335607 /nfs/dbraw/zinc/33/56/07/719335607.db2.gz UWGVLURCHHCODI-UHFFFAOYSA-N 0 3 303.366 2.249 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)c1C ZINC001332758429 1149889098 /nfs/dbraw/zinc/88/90/98/1149889098.db2.gz XNTKTDLLQDOAHL-SMDDNHRTSA-N 0 3 317.389 2.424 20 5 DEBDHN CCN(CC)CC(=O)N(CC)CCNc1ccc([N+](=O)[O-])cc1 ZINC001106775854 782929897 /nfs/dbraw/zinc/92/98/97/782929897.db2.gz IIUKXBCKUXNOGC-UHFFFAOYSA-N 0 3 322.409 2.197 20 5 DEBDHN Cc1cc(C)c(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)o1 ZINC001125400890 776912703 /nfs/dbraw/zinc/91/27/03/776912703.db2.gz GGQTXVCQEXKSAL-UHFFFAOYSA-N 0 3 317.345 2.324 20 5 DEBDHN C[C@H](N)c1ccn(-c2ncc(F)c3cc([N+](=O)[O-])ccc32)n1 ZINC001169228447 785097034 /nfs/dbraw/zinc/09/70/34/785097034.db2.gz AFWMBAJUQFQMJV-QMMMGPOBSA-N 0 3 301.281 2.488 20 5 DEBDHN COc1ccc(C[C@H](C)n2nc(CN)cc2C)c([N+](=O)[O-])c1 ZINC001170297595 786892948 /nfs/dbraw/zinc/89/29/48/786892948.db2.gz QKTUGLGOSMDMLX-JTQLQIEISA-N 0 3 304.350 2.371 20 5 DEBDHN COc1ccc(C[C@H](C)N2CCC(C)(O)CC2)c([N+](=O)[O-])c1 ZINC001170330077 786910666 /nfs/dbraw/zinc/91/06/66/786910666.db2.gz XXEYDPHOWNWWRW-LBPRGKRZSA-N 0 3 308.378 2.381 20 5 DEBDHN COc1ccc(C[C@H](C)N2CCN(C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001170352886 786916767 /nfs/dbraw/zinc/91/67/67/786916767.db2.gz SYCAKOQMBITXTM-QWHCGFSZSA-N 0 3 307.394 2.170 20 5 DEBDHN O=[N+]([O-])c1cc2c(cc1NCc1nccc(Cl)n1)CNC2 ZINC001170546364 787563358 /nfs/dbraw/zinc/56/33/58/787563358.db2.gz IHYIGFUSFOJHCS-UHFFFAOYSA-N 0 3 305.725 2.254 20 5 DEBDHN O=C(N[C@@]12CCN(C1)CCC2)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001132468604 788089197 /nfs/dbraw/zinc/08/91/97/788089197.db2.gz NUHGAROYRKYQAW-AWEZNQCLSA-N 0 3 309.753 2.216 20 5 DEBDHN O=C(CCCC1CC1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001132600021 788138438 /nfs/dbraw/zinc/13/84/38/788138438.db2.gz GYWSCXJGNRCSSQ-UHFFFAOYSA-N 0 3 305.378 2.381 20 5 DEBDHN CCCC1(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001133458375 788438975 /nfs/dbraw/zinc/43/89/75/788438975.db2.gz SSKYHJIKUBYMBS-UHFFFAOYSA-N 0 3 305.378 2.381 20 5 DEBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1ccc(Cl)[nH]1 ZINC001133501416 788455627 /nfs/dbraw/zinc/45/56/27/788455627.db2.gz ZBQVOKNSBKXKJF-UHFFFAOYSA-N 0 3 322.752 2.096 20 5 DEBDHN CCN(C)C(C)(C)C(=O)N(C)CCNc1ccc([N+](=O)[O-])cc1 ZINC001101829356 793400228 /nfs/dbraw/zinc/40/02/28/793400228.db2.gz KISXOTMTVMSSDE-UHFFFAOYSA-N 0 3 322.409 2.195 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@@H](N1CCN(CCF)CC1)CC2 ZINC001172915089 793530630 /nfs/dbraw/zinc/53/06/30/793530630.db2.gz LBYOCVWYXFUVHE-INIZCTEOSA-N 0 3 321.396 2.429 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@@H](N1C[C@@H](F)C[C@H]1CO)CC2 ZINC001172910412 793542440 /nfs/dbraw/zinc/54/24/40/793542440.db2.gz ZFHRLVGNXQORBX-DZKIICNBSA-N 0 3 308.353 2.247 20 5 DEBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NCc1cn2cccnc2n1 ZINC001173217470 793634905 /nfs/dbraw/zinc/63/49/05/793634905.db2.gz VFGFIPMIIAQBHZ-LBPRGKRZSA-N 0 3 311.345 2.358 20 5 DEBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N[C@H](CO)c1ccccn1 ZINC001173219284 793635908 /nfs/dbraw/zinc/63/59/08/793635908.db2.gz MXMMNXBNMKFSBT-BLLLJJGKSA-N 0 3 301.346 2.244 20 5 DEBDHN Cc1cc([N+](=O)[O-])c(N2C[C@H]3CCCN(C)[C@H]3C2)nc1Cl ZINC001157265614 798173664 /nfs/dbraw/zinc/17/36/64/798173664.db2.gz KBMKJPKXNXTXIQ-PWSUYJOCSA-N 0 3 310.785 2.482 20 5 DEBDHN CCN1CCN(c2ncnc3cc([N+](=O)[O-])ccc32)C(C)(C)C1 ZINC001158562703 798429589 /nfs/dbraw/zinc/42/95/89/798429589.db2.gz HTWCAFFXGJCSOF-UHFFFAOYSA-N 0 3 315.377 2.459 20 5 DEBDHN Cn1cc([N+](=O)[O-])c(N2CCCN(Cc3ccccc3)CC2)n1 ZINC001162032498 798998992 /nfs/dbraw/zinc/99/89/92/798998992.db2.gz QMOQMXFIGSCXKN-UHFFFAOYSA-N 0 3 315.377 2.041 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(N[C@H]2CCCC[C@@]23CNCCO3)n1 ZINC001163650706 799395522 /nfs/dbraw/zinc/39/55/22/799395522.db2.gz QUJDMDROAVXQON-DZGCQCFKSA-N 0 3 306.366 2.011 20 5 DEBDHN NC(=O)[C@]12CCC[C@H]1CN(Cc1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000933756311 800179443 /nfs/dbraw/zinc/17/94/43/800179443.db2.gz SGTAYKSQHGPHJN-NHYWBVRUSA-N 0 3 323.780 2.336 20 5 DEBDHN C[C@@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cncs1 ZINC000934205322 800290107 /nfs/dbraw/zinc/29/01/07/800290107.db2.gz ZBAVXUGLGBVWHE-ZYHUDNBSSA-N 0 3 323.374 2.142 20 5 DEBDHN O=C(CN[C@@H]1CCOC12CCCC2)Nc1ccccc1[N+](=O)[O-] ZINC000934391383 800341871 /nfs/dbraw/zinc/34/18/71/800341871.db2.gz LISZUZYFGTUMKO-CQSZACIVSA-N 0 3 319.361 2.225 20 5 DEBDHN COC(=O)c1c(O[C@@H]2CCN(C(C)C)C2)cccc1[N+](=O)[O-] ZINC001229043698 801214022 /nfs/dbraw/zinc/21/40/22/801214022.db2.gz ACQLSRLQWYCCBJ-LLVKDONJSA-N 0 3 308.334 2.243 20 5 DEBDHN CCCC(=O)Nc1c(O[C@H]2CCN(C)C2)cccc1[N+](=O)[O-] ZINC001231358626 801646051 /nfs/dbraw/zinc/64/60/51/801646051.db2.gz FOZCJCYRVYIAME-NSHDSACASA-N 0 3 307.350 2.416 20 5 DEBDHN COc1cc(CN(C)C)cc(F)c1O[C@@H](C[N+](=O)[O-])C1CC1 ZINC001234244249 802333922 /nfs/dbraw/zinc/33/39/22/802333922.db2.gz OHNKIVVJQBDYIB-AWEZNQCLSA-N 0 3 312.341 2.330 20 5 DEBDHN COc1cc(CN(C)C)cc(F)c1O[C@H](C[N+](=O)[O-])C1CC1 ZINC001234244254 802334520 /nfs/dbraw/zinc/33/45/20/802334520.db2.gz OHNKIVVJQBDYIB-CQSZACIVSA-N 0 3 312.341 2.330 20 5 DEBDHN COC(=O)c1ccc(O[C@H]2CCN(C(C)C)C2)c([N+](=O)[O-])c1 ZINC001227296278 803228826 /nfs/dbraw/zinc/22/88/26/803228826.db2.gz VWEMPNSWUYIQRC-LBPRGKRZSA-N 0 3 308.334 2.243 20 5 DEBDHN CN1CCC[C@@H](Oc2c3ccccc3oc(=O)c2[N+](=O)[O-])C1 ZINC001228802054 803415937 /nfs/dbraw/zinc/41/59/37/803415937.db2.gz DIEICKXKFKVEJT-SNVBAGLBSA-N 0 3 304.302 2.174 20 5 DEBDHN O=c1oc2ccccc2c(O[C@@H]2CN3CCC2CC3)c1[N+](=O)[O-] ZINC001228808266 803416155 /nfs/dbraw/zinc/41/61/55/803416155.db2.gz ZUEACMMKABJMQB-CYBMUJFWSA-N 0 3 316.313 2.174 20 5 DEBDHN CC(C)C1(O)CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC001473883853 1060753233 /nfs/dbraw/zinc/75/32/33/1060753233.db2.gz VYOBMOBRHPMEIP-UHFFFAOYSA-N 0 3 308.378 2.457 20 5 DEBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)NC[C@@H]1C ZINC001521512761 1069248070 /nfs/dbraw/zinc/24/80/70/1069248070.db2.gz LMIBVKPXFJRKKX-ZJUUUORDSA-N 0 3 309.391 2.139 20 5 DEBDHN Cc1[nH]cnc1CC(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001558603588 1075101022 /nfs/dbraw/zinc/10/10/22/1075101022.db2.gz UQQVEHXXPVUUJA-JTQLQIEISA-N 0 3 302.334 2.089 20 5 DEBDHN CCc1nn(C)c(N2CCN[C@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC001559285254 1075118657 /nfs/dbraw/zinc/11/86/57/1075118657.db2.gz HSYFTSBPSXXAPX-AWEZNQCLSA-N 0 3 315.377 2.042 20 5 DEBDHN O=[N+]([O-])c1ccc(C(F)(F)F)cc1NC[C@H]1CNCCO1 ZINC001580874881 1076010242 /nfs/dbraw/zinc/01/02/42/1076010242.db2.gz NFLXBTPKXSLMHM-SECBINFHSA-N 0 3 305.256 2.014 20 5 DEBDHN CC[C@H]1CCC[C@@H]1[NH2+]Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590506380 1076643748 /nfs/dbraw/zinc/64/37/48/1076643748.db2.gz GALAVLNWBLQUIS-GWCFXTLKSA-N 0 3 316.365 2.443 20 5 DEBDHN CC[C@H]1CCC[C@@H]1[NH2+]Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590506380 1076643750 /nfs/dbraw/zinc/64/37/50/1076643750.db2.gz GALAVLNWBLQUIS-GWCFXTLKSA-N 0 3 316.365 2.443 20 5 DEBDHN C[C@@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccnn1C ZINC001659865357 1080255837 /nfs/dbraw/zinc/25/58/37/1080255837.db2.gz GYFPYSXVANMBAE-LLVKDONJSA-N 0 3 317.349 2.008 20 5 DEBDHN CCN(CC)CC(=O)NC/C=C/CNc1ccc([N+](=O)[O-])cc1 ZINC001107205184 1080677438 /nfs/dbraw/zinc/67/74/38/1080677438.db2.gz XGGRWVCFHMGRSZ-AATRIKPKSA-N 0 3 320.393 2.021 20 5 DEBDHN CN1CCCC[C@H]1CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC001336222968 1142381817 /nfs/dbraw/zinc/38/18/17/1142381817.db2.gz FSKKHAJXEUCIOV-ZDUSSCGKSA-N 0 3 319.405 2.473 20 5 DEBDHN CN1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001337463824 1142756907 /nfs/dbraw/zinc/75/69/07/1142756907.db2.gz AMDVPAITRPGWPF-HRCADAONSA-N 0 3 317.389 2.299 20 5 DEBDHN CN1CCCC[C@@H]1CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC001337558526 1142768302 /nfs/dbraw/zinc/76/83/02/1142768302.db2.gz RHVUDZLPDRMOCF-OAHLLOKOSA-N 0 3 305.378 2.128 20 5 DEBDHN CC(=O)NC1CCN([C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254550165 1143244268 /nfs/dbraw/zinc/24/42/68/1143244268.db2.gz DXCJUGMIRLZMRR-GFCCVEGCSA-N 0 3 305.378 2.126 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](NCc1ccc(Cl)nn1)C2 ZINC001254579598 1143262988 /nfs/dbraw/zinc/26/29/88/1143262988.db2.gz UELLGXZTYPFKDS-GFCCVEGCSA-N 0 3 304.737 2.295 20 5 DEBDHN O=C(CN[C@H]1Cc2ccc([N+](=O)[O-])cc2C1)NC1CCCCC1 ZINC001254583763 1143266854 /nfs/dbraw/zinc/26/68/54/1143266854.db2.gz NZMMOZDPSLADTE-HNNXBMFYSA-N 0 3 317.389 2.101 20 5 DEBDHN CCOC(=O)[C@@H]1CCCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254604272 1143276285 /nfs/dbraw/zinc/27/62/85/1143276285.db2.gz UGYXOJAIPNGLQJ-CZUORRHYSA-N 0 3 318.373 2.337 20 5 DEBDHN COc1cc(C(=O)N2[C@H](C)CN[C@@H](C)[C@H]2C)cc([N+](=O)[O-])c1C ZINC001342551297 1143823530 /nfs/dbraw/zinc/82/35/30/1143823530.db2.gz BCUYEYZBJDOHBP-ADEWGFFLSA-N 0 3 321.377 2.123 20 5 DEBDHN Cc1cc([N+](=O)[O-])cc(C(=O)NCC(C)(C)N2CCCCC2)n1 ZINC001289998227 1146828895 /nfs/dbraw/zinc/82/88/95/1146828895.db2.gz LDXUJXSDYWBVIY-UHFFFAOYSA-N 0 3 320.393 2.293 20 5 DEBDHN C[C@H](NC(=O)N(C)CCN1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000112744633 299069386 /nfs/dbraw/zinc/06/93/86/299069386.db2.gz KMWCOERVBMAWRA-ZDUSSCGKSA-N 0 3 320.393 2.393 20 5 DEBDHN CCSCC[C@H](C)N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090559142 185303327 /nfs/dbraw/zinc/30/33/27/185303327.db2.gz YGZDOZYMPNSSAV-LBPRGKRZSA-N 0 3 313.423 2.220 20 5 DEBDHN O=[N+]([O-])c1cc2c(cc1CNCC1(CO)CCCC1)OCCO2 ZINC000613659751 362174368 /nfs/dbraw/zinc/17/43/68/362174368.db2.gz UPRVBGJWWGSRKQ-UHFFFAOYSA-N 0 3 322.361 2.008 20 5 DEBDHN CN(CCN(C)C1CC1)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000613701871 362183878 /nfs/dbraw/zinc/18/38/78/362183878.db2.gz LFBXBMYNHRSVHV-UHFFFAOYSA-N 0 3 301.350 2.068 20 5 DEBDHN CC(C)(C)[C@H](CCO)NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000181462831 199300488 /nfs/dbraw/zinc/30/04/88/199300488.db2.gz FJHXCENZCYBXFL-AWEZNQCLSA-N 0 3 324.377 2.348 20 5 DEBDHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000287051050 219287442 /nfs/dbraw/zinc/28/74/42/219287442.db2.gz JHGLQJHOZNKBOU-IUODEOHRSA-N 0 3 303.362 2.294 20 5 DEBDHN CCc1ccc(C(=O)N(C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000173305237 186174393 /nfs/dbraw/zinc/17/43/93/186174393.db2.gz INKMYVNDKZFWRI-UHFFFAOYSA-N 0 3 305.378 2.323 20 5 DEBDHN CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1N(C)C ZINC000270542161 282711957 /nfs/dbraw/zinc/71/19/57/282711957.db2.gz XVAWLGRCWRMECW-KBPBESRZSA-N 0 3 323.418 2.021 20 5 DEBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000237448065 186290582 /nfs/dbraw/zinc/29/05/82/186290582.db2.gz OBSTWHQIXRBEIQ-GRYCIOLGSA-N 0 3 323.418 2.284 20 5 DEBDHN Cc1c(CC(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000269586711 186392304 /nfs/dbraw/zinc/39/23/04/186392304.db2.gz BPURMGHSERPRRW-NHYWBVRUSA-N 0 3 317.389 2.045 20 5 DEBDHN Cc1nn(C)c(NC[C@@H](c2cccs2)N(C)C)c1[N+](=O)[O-] ZINC000047330999 354313281 /nfs/dbraw/zinc/31/32/81/354313281.db2.gz HROBFKAOCSUPLP-JTQLQIEISA-N 0 3 309.395 2.413 20 5 DEBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000055401012 354497038 /nfs/dbraw/zinc/49/70/38/354497038.db2.gz HTCANWJGSDNJLE-UONOGXRCSA-N 0 3 319.405 2.374 20 5 DEBDHN O=[N+]([O-])c1cccc(CNC[C@@H](O)COc2ccc(F)cc2)c1 ZINC000067252488 354754422 /nfs/dbraw/zinc/75/44/22/354754422.db2.gz KOJOJJKJZPCNPG-OAHLLOKOSA-N 0 3 320.320 2.263 20 5 DEBDHN CCN1CCC[C@@H]1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000072501360 354902785 /nfs/dbraw/zinc/90/27/85/354902785.db2.gz USQYTJOEEXKISL-CYBMUJFWSA-N 0 3 323.418 2.287 20 5 DEBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000072831232 354923555 /nfs/dbraw/zinc/92/35/55/354923555.db2.gz AIOIYTUCPWASJZ-MLGOLLRUSA-N 0 3 303.362 2.258 20 5 DEBDHN CN(CCNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000080138637 355348735 /nfs/dbraw/zinc/34/87/35/355348735.db2.gz LNVHJDODNABCJD-UHFFFAOYSA-N 0 3 320.393 2.223 20 5 DEBDHN Cc1cccc(C(=O)N[C@H]2CCN(CC3CC3)C2)c1[N+](=O)[O-] ZINC000108303199 355733464 /nfs/dbraw/zinc/73/34/64/355733464.db2.gz YBKSQWPUJAWWBK-ZDUSSCGKSA-N 0 3 303.362 2.117 20 5 DEBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134882730 355862801 /nfs/dbraw/zinc/86/28/01/355862801.db2.gz VTGOPPQAWZZBJV-CYBMUJFWSA-N 0 3 323.780 2.462 20 5 DEBDHN CN(CCN1CCCC1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134833626 355862850 /nfs/dbraw/zinc/86/28/50/355862850.db2.gz SDBZYQITDQKLTN-UHFFFAOYSA-N 0 3 311.769 2.416 20 5 DEBDHN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC1CCN(C2CC2)CC1 ZINC000139776783 355879964 /nfs/dbraw/zinc/87/99/64/355879964.db2.gz MTWOLYAJXYBVAZ-QPJJXVBHSA-N 0 3 315.373 2.351 20 5 DEBDHN COCCO[C@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000179364081 356023419 /nfs/dbraw/zinc/02/34/19/356023419.db2.gz NGWHDQSROWUFOV-INIZCTEOSA-N 0 3 324.377 2.101 20 5 DEBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000164231271 283163142 /nfs/dbraw/zinc/16/31/42/283163142.db2.gz RLXTZUDGQHLQAV-OCCSQVGLSA-N 0 3 303.362 2.151 20 5 DEBDHN O=C(N[C@@H]1CCN(CC2CCCC2)C1)c1ccc([N+](=O)[O-])o1 ZINC000081290661 192245695 /nfs/dbraw/zinc/24/56/95/192245695.db2.gz DHRDPFWLBOIWBQ-GFCCVEGCSA-N 0 3 307.350 2.182 20 5 DEBDHN COc1cc(CNC[C@@H]2CCCOC2)c([N+](=O)[O-])cc1OC ZINC000237243260 202201850 /nfs/dbraw/zinc/20/18/50/202201850.db2.gz ZVCZHGYGNVVOOV-NSHDSACASA-N 0 3 310.350 2.128 20 5 DEBDHN C[C@H](C(=O)N[C@@H]1CCN(C)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000581114259 357132681 /nfs/dbraw/zinc/13/26/81/357132681.db2.gz KHEKSVXZVQYMBM-SGMGOOAPSA-N 0 3 305.378 2.297 20 5 DEBDHN C[S@@](=O)C1(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])CCC1 ZINC000584790882 357311710 /nfs/dbraw/zinc/31/17/10/357311710.db2.gz WPISXEPYXPTHOR-LRTDBIEQSA-N 0 3 308.403 2.473 20 5 DEBDHN COC1(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CCCC1 ZINC000590654465 357573491 /nfs/dbraw/zinc/57/34/91/357573491.db2.gz UMFBPUNLQXQLIZ-UHFFFAOYSA-N 0 3 322.361 2.415 20 5 DEBDHN CCOc1ccc([C@H](C)NC[C@@H]2C[C@H](F)CN2)cc1[N+](=O)[O-] ZINC000591581819 357739462 /nfs/dbraw/zinc/73/94/62/357739462.db2.gz WYDYISMVBXYCAR-DRZSPHRISA-N 0 3 311.357 2.344 20 5 DEBDHN CC1(CN[C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)OCCO1 ZINC000179568212 199055739 /nfs/dbraw/zinc/05/57/39/199055739.db2.gz UKMOGAMCZCCVEN-AWEZNQCLSA-N 0 3 306.362 2.269 20 5 DEBDHN COc1cc(CNC[C@H]2CCCOC2)c([N+](=O)[O-])cc1OC ZINC000237278854 202214253 /nfs/dbraw/zinc/21/42/53/202214253.db2.gz ZVCZHGYGNVVOOV-LLVKDONJSA-N 0 3 310.350 2.128 20 5 DEBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594201712 358222395 /nfs/dbraw/zinc/22/23/95/358222395.db2.gz PXFBCANQVAQHBN-HOTGVXAUSA-N 0 3 317.389 2.270 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H]1CCN(C2CC2)C1 ZINC000595012102 358377811 /nfs/dbraw/zinc/37/78/11/358377811.db2.gz NQJNRJSHUDZPMG-NEPJUHHUSA-N 0 3 305.378 2.491 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H](CO)C1CCOCC1 ZINC000595032233 358381263 /nfs/dbraw/zinc/38/12/63/358381263.db2.gz IVABTHSNUOUBBN-XHDPSFHLSA-N 0 3 324.377 2.042 20 5 DEBDHN CC[C@@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000595764861 358543461 /nfs/dbraw/zinc/54/34/61/358543461.db2.gz FITJEUVZWJUXNL-CQSZACIVSA-N 0 3 303.362 2.262 20 5 DEBDHN CC[C@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000595765083 358543650 /nfs/dbraw/zinc/54/36/50/358543650.db2.gz GWPIOBZWRXNRDZ-AWEZNQCLSA-N 0 3 303.362 2.262 20 5 DEBDHN O=c1[n-]ccc(N2CCC([NH+]3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000596080485 358605961 /nfs/dbraw/zinc/60/59/61/358605961.db2.gz FXTVWJSYVVVGRE-UHFFFAOYSA-N 0 3 306.366 2.150 20 5 DEBDHN CCn1nccc1CN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000596094818 358609739 /nfs/dbraw/zinc/60/97/39/358609739.db2.gz MLJPDMXNCMIYIO-ZIAGYGMSSA-N 0 3 318.381 2.281 20 5 DEBDHN CCc1nn(C)c(N2CCN(C)C3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000596251085 358651741 /nfs/dbraw/zinc/65/17/41/358651741.db2.gz MECVFQUCFHYTQM-UHFFFAOYSA-N 0 3 321.425 2.345 20 5 DEBDHN Cc1cc(C(=O)N2CCC[C@@]3(CCN(C)C3)C2)cc([N+](=O)[O-])c1 ZINC000597716211 358986155 /nfs/dbraw/zinc/98/61/55/358986155.db2.gz PPPMFKJWUXHAHU-KRWDZBQOSA-N 0 3 317.389 2.461 20 5 DEBDHN CCCN1CC[C@H](NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000598342023 359168805 /nfs/dbraw/zinc/16/88/05/359168805.db2.gz JYKUGFXAXUEJAX-RYUDHWBXSA-N 0 3 323.368 2.438 20 5 DEBDHN CCCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000598342019 359169376 /nfs/dbraw/zinc/16/93/76/359169376.db2.gz JWFLNPRIKMFCHA-CWRNSKLLSA-N 0 3 317.389 2.299 20 5 DEBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCN[C@H](C(C)C)C1 ZINC000598572122 359245544 /nfs/dbraw/zinc/24/55/44/359245544.db2.gz LEBKJZQYKXCNNP-LBPRGKRZSA-N 0 3 321.377 2.064 20 5 DEBDHN CCN(C(=O)Cc1cccc([N+](=O)[O-])c1C)C1CCN(C)CC1 ZINC000599986476 359629773 /nfs/dbraw/zinc/62/97/73/359629773.db2.gz UPWIBFWQYCVHRR-UHFFFAOYSA-N 0 3 319.405 2.388 20 5 DEBDHN Cc1cccc(CN2CC[C@H](Nc3ncc([N+](=O)[O-])cn3)C2)c1 ZINC000601239519 359977272 /nfs/dbraw/zinc/97/72/72/359977272.db2.gz MHIZYOBGEYTJPW-AWEZNQCLSA-N 0 3 313.361 2.380 20 5 DEBDHN O=[N+]([O-])c1sc(CNC[C@H]2C[C@@H](O)C2)cc1Br ZINC000602724969 360519826 /nfs/dbraw/zinc/51/98/26/360519826.db2.gz PEBDKBCCCOPPNS-KNVOCYPGSA-N 0 3 321.196 2.279 20 5 DEBDHN COC(=O)[C@@]1(C)CN(Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000602729457 360522613 /nfs/dbraw/zinc/52/26/13/360522613.db2.gz OPEMNDPOKUNCPZ-ZBEGNZNMSA-N 0 3 322.361 2.234 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H](c2ccncc2)C1 ZINC000602827629 360575004 /nfs/dbraw/zinc/57/50/04/360575004.db2.gz MCAHWRQUFGNJHD-HNNXBMFYSA-N 0 3 315.377 2.374 20 5 DEBDHN C[C@H]1OCC[C@@H]1CN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000602763875 360541285 /nfs/dbraw/zinc/54/12/85/360541285.db2.gz TZYGBKCTMMHVDS-ZIAGYGMSSA-N 0 3 305.378 2.142 20 5 DEBDHN CCO[C@H]1C[C@H](N(C)CCn2c(C)ncc2[N+](=O)[O-])C1(C)C ZINC000602779233 360549359 /nfs/dbraw/zinc/54/93/59/360549359.db2.gz LILUJPZIYBQERQ-STQMWFEESA-N 0 3 310.398 2.235 20 5 DEBDHN CC(C)(C)[C@@H](N)c1cn(Cc2ccc(F)cc2[N+](=O)[O-])nn1 ZINC000603223279 360753739 /nfs/dbraw/zinc/75/37/39/360753739.db2.gz HSXQZRLADHQARO-ZDUSSCGKSA-N 0 3 307.329 2.420 20 5 DEBDHN O=C(CCNCc1cccc([N+](=O)[O-])c1)Nc1ccccn1 ZINC000604532695 360913634 /nfs/dbraw/zinc/91/36/34/360913634.db2.gz SVZXGPJCTCZCOB-UHFFFAOYSA-N 0 3 300.318 2.108 20 5 DEBDHN O=[N+]([O-])c1ccc(CCNCc2cnn(CC(F)F)c2)cc1 ZINC000292584824 223160671 /nfs/dbraw/zinc/16/06/71/223160671.db2.gz APDLQZRAWOCAFL-UHFFFAOYSA-N 0 3 310.304 2.389 20 5 DEBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000609023966 361277424 /nfs/dbraw/zinc/27/74/24/361277424.db2.gz HHAWUYYZXGDANP-CYBMUJFWSA-N 0 3 320.393 2.024 20 5 DEBDHN NC(=O)c1ccc(CN2CC[C@@H](c3ccco3)C2)c([N+](=O)[O-])c1 ZINC000609539856 361319349 /nfs/dbraw/zinc/31/93/49/361319349.db2.gz FLIOXINCCULWKR-CYBMUJFWSA-N 0 3 315.329 2.276 20 5 DEBDHN CC[C@H](CN1CCCC1)NC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000609878225 361346656 /nfs/dbraw/zinc/34/66/56/361346656.db2.gz TYXDKIOQXATOJY-CYBMUJFWSA-N 0 3 321.377 2.208 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)CCOc1ccccc1 ZINC000610675959 361444601 /nfs/dbraw/zinc/44/46/01/361444601.db2.gz JZEJSNLUPHRPGB-UHFFFAOYSA-N 0 3 304.350 2.111 20 5 DEBDHN Cc1ccc(CNC[C@@H](CO)Cc2ccco2)cc1[N+](=O)[O-] ZINC000610871104 361482219 /nfs/dbraw/zinc/48/22/19/361482219.db2.gz BAACKVSSSPLYBA-AWEZNQCLSA-N 0 3 304.346 2.437 20 5 DEBDHN COC1(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CCC1 ZINC000611543705 361626811 /nfs/dbraw/zinc/62/68/11/361626811.db2.gz BMSUMGJXHUZCKM-UHFFFAOYSA-N 0 3 308.334 2.025 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000194822854 201295318 /nfs/dbraw/zinc/29/53/18/201295318.db2.gz JQLRVQLSLRLGQD-VXGBXAGGSA-N 0 3 303.362 2.258 20 5 DEBDHN CC[C@@H]1CN(C)CCCN1C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000619578328 363832683 /nfs/dbraw/zinc/83/26/83/363832683.db2.gz GKGJUTDQHRVOAG-CQSZACIVSA-N 0 3 305.378 2.460 20 5 DEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000449172660 240159231 /nfs/dbraw/zinc/15/92/31/240159231.db2.gz WDDPVUXDZOUGHZ-KLZCAUPSSA-N 0 3 317.389 2.125 20 5 DEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000449315493 240348513 /nfs/dbraw/zinc/34/85/13/240348513.db2.gz VLBNGUXYHKEEMW-INWMFGNUSA-N 0 3 317.389 2.269 20 5 DEBDHN O=C(C[C@H]1CSCCN1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000091135063 193001556 /nfs/dbraw/zinc/00/15/56/193001556.db2.gz ZLXADXHWRHWMTJ-VIFPVBQESA-N 0 3 315.782 2.282 20 5 DEBDHN O=[N+]([O-])c1cccc2c1ccnc2NCCN1CCC(O)CC1 ZINC000450864148 242319528 /nfs/dbraw/zinc/31/95/28/242319528.db2.gz HICMATRKKZNHDK-UHFFFAOYSA-N 0 3 316.361 2.012 20 5 DEBDHN CO[C@@H]1C[C@@H](NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1(C)C ZINC000451496065 243029928 /nfs/dbraw/zinc/02/99/28/243029928.db2.gz LRIMKCFKEWJVGG-ZIAGYGMSSA-N 0 3 321.377 2.245 20 5 DEBDHN CO[C@@H]1C[C@@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1(C)C ZINC000451502726 243041970 /nfs/dbraw/zinc/04/19/70/243041970.db2.gz PMSCLKJOJBKRNT-ZIAGYGMSSA-N 0 3 321.377 2.245 20 5 DEBDHN COc1ccc(OCCN2CC[C@@H](OC)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000451542402 243086980 /nfs/dbraw/zinc/08/69/80/243086980.db2.gz JQDTURJKOLYLLI-IUODEOHRSA-N 0 3 324.377 2.339 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCc1cnc(C)cn1 ZINC000453601102 245204382 /nfs/dbraw/zinc/20/43/82/245204382.db2.gz UOBAVCBKPWYEJK-UHFFFAOYSA-N 0 3 316.361 2.424 20 5 DEBDHN CN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@@H]1CCCN(C)C1 ZINC000266013368 205026017 /nfs/dbraw/zinc/02/60/17/205026017.db2.gz VQGFPOFUKXTZRF-GFCCVEGCSA-N 0 3 316.361 2.242 20 5 DEBDHN C[C@@H]1[C@H](Nc2c([N+](=O)[O-])ncn2C)CCN1Cc1ccccc1 ZINC000288363197 220109227 /nfs/dbraw/zinc/10/92/27/220109227.db2.gz XUXHKEGRNQEKQZ-TZMCWYRMSA-N 0 3 315.377 2.403 20 5 DEBDHN O=[N+]([O-])c1ccccc1CNC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000282944319 217342457 /nfs/dbraw/zinc/34/24/57/217342457.db2.gz XIWNJZFCBFHICA-GOEBONIOSA-N 0 3 320.389 2.252 20 5 DEBDHN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[C@@H](N2CCCC2)C1 ZINC000171453518 284615445 /nfs/dbraw/zinc/61/54/45/284615445.db2.gz FNWPKRPECCXJIM-GFCCVEGCSA-N 0 3 307.325 2.044 20 5 DEBDHN CN(CC1CCN(C)CC1)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000103453521 193932263 /nfs/dbraw/zinc/93/22/63/193932263.db2.gz ZQRVVXOHXIHWQA-BQYQJAHWSA-N 0 3 317.389 2.408 20 5 DEBDHN CCN(C)CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000273957198 211211230 /nfs/dbraw/zinc/21/12/30/211211230.db2.gz ODBJQENPIMHKQB-UHFFFAOYSA-N 0 3 311.357 2.079 20 5 DEBDHN O=C1CCCN1C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000104727359 194030937 /nfs/dbraw/zinc/03/09/37/194030937.db2.gz ASNZXUZEUXZFTM-UHFFFAOYSA-N 0 3 317.389 2.224 20 5 DEBDHN C[C@H](N[C@@H](CO)Cc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294525630 224070653 /nfs/dbraw/zinc/07/06/53/224070653.db2.gz ZMNSLNXBIMVMEA-SWLSCSKDSA-N 0 3 315.373 2.431 20 5 DEBDHN CC[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000272980115 210360612 /nfs/dbraw/zinc/36/06/12/210360612.db2.gz XXDBGALTRKRZFZ-AWEZNQCLSA-N 0 3 314.407 2.393 20 5 DEBDHN CCC[C@@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000272901126 210289090 /nfs/dbraw/zinc/28/90/90/210289090.db2.gz DCRGZOQXMNMCIV-LLVKDONJSA-N 0 3 300.380 2.147 20 5 DEBDHN C[C@@H]1C[C@@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCN1C ZINC000157695722 197209241 /nfs/dbraw/zinc/20/92/41/197209241.db2.gz FLTVAROYGCKKAS-KOLCDFICSA-N 0 3 311.769 2.461 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000444935433 533140894 /nfs/dbraw/zinc/14/08/94/533140894.db2.gz FCVXRSYBYKZUQE-CMPLNLGQSA-N 0 3 322.365 2.208 20 5 DEBDHN COc1ccc(C(=O)N(C)[C@H]2CCN(C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000120640342 195207193 /nfs/dbraw/zinc/20/71/93/195207193.db2.gz INOHPACYMIGWDV-YPMHNXCESA-N 0 3 321.377 2.016 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(C)CC[C@H]1C ZINC000340245011 131259494 /nfs/dbraw/zinc/25/94/94/131259494.db2.gz ACLIXOFKHRYEHR-LLVKDONJSA-N 0 3 322.365 2.161 20 5 DEBDHN CCOc1ccc(CN(C)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000357655643 133091498 /nfs/dbraw/zinc/09/14/98/133091498.db2.gz VPWFXSUYIJECRU-UHFFFAOYSA-N 0 3 304.350 2.322 20 5 DEBDHN Cc1c(CNCc2ccc3c(c2)nnn3C)cccc1[N+](=O)[O-] ZINC000359830143 133147514 /nfs/dbraw/zinc/14/75/14/133147514.db2.gz JQBSFGYSRQIZFZ-UHFFFAOYSA-N 0 3 311.345 2.475 20 5 DEBDHN C[C@H](NC[C@H]1CN2CCC[C@@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000368536884 133277122 /nfs/dbraw/zinc/27/71/22/133277122.db2.gz FLROCLRCMSMQHU-MAZHCROVSA-N 0 3 305.378 2.109 20 5 DEBDHN CNc1c(C(=O)N[C@@H]2CCCN(C(C)C)C2)cccc1[N+](=O)[O-] ZINC000564586516 292100788 /nfs/dbraw/zinc/10/07/88/292100788.db2.gz RQALUVRMPXVNRA-GFCCVEGCSA-N 0 3 320.393 2.239 20 5 DEBDHN CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H](N2CCCC2)C1 ZINC000315935162 145361624 /nfs/dbraw/zinc/36/16/24/145361624.db2.gz RUPXRJLLCBIYHH-AWEZNQCLSA-N 0 3 303.362 2.472 20 5 DEBDHN CCNc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000321115434 145376315 /nfs/dbraw/zinc/37/63/15/145376315.db2.gz PFTOAXNUGMATKD-ZDUSSCGKSA-N 0 3 320.393 2.193 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(C)CC[C@H]1C ZINC000346358935 146067414 /nfs/dbraw/zinc/06/74/14/146067414.db2.gz HPLVFYVYPVAEPO-GFCCVEGCSA-N 0 3 306.366 2.461 20 5 DEBDHN CC[C@H](NCC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000348343448 146258072 /nfs/dbraw/zinc/25/80/72/146258072.db2.gz HKVOQVDKVDABSG-JSGCOSHPSA-N 0 3 321.377 2.389 20 5 DEBDHN C[C@H](NCc1c([N+](=O)[O-])ncn1C)[C@H]1Oc2ccccc2[C@@H]1C ZINC000348536072 146283435 /nfs/dbraw/zinc/28/34/35/146283435.db2.gz QTIQQRPXHWYLLZ-PGUXBMHVSA-N 0 3 316.361 2.371 20 5 DEBDHN C[C@@H]1[C@H](C)N(CCCOc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000356975194 147014034 /nfs/dbraw/zinc/01/40/34/147014034.db2.gz JWXSCKKMQVWXOX-KGLIPLIRSA-N 0 3 307.394 2.388 20 5 DEBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000358418623 147130057 /nfs/dbraw/zinc/13/00/57/147130057.db2.gz ZUKWBATWIRBAQZ-XHDPSFHLSA-N 0 3 323.368 2.075 20 5 DEBDHN CCN(CCNC(=O)NCc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000358636927 147170253 /nfs/dbraw/zinc/17/02/53/147170253.db2.gz SSZLMYSWRVVIMM-UHFFFAOYSA-N 0 3 320.393 2.187 20 5 DEBDHN O=[N+]([O-])c1ccc(CN[C@H](CCO)C2CCOCC2)c(F)c1 ZINC000359575687 147354961 /nfs/dbraw/zinc/35/49/61/147354961.db2.gz DPLYLIFUJREVGL-OAHLLOKOSA-N 0 3 312.341 2.001 20 5 DEBDHN C[C@@H](N[C@@H]1CCN(c2cnn(C)c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000371878005 148148588 /nfs/dbraw/zinc/14/85/88/148148588.db2.gz DFEPKPUYJGJBCE-TZMCWYRMSA-N 0 3 315.377 2.258 20 5 DEBDHN CN1CC[C@H]2CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)[C@H]2C1 ZINC000374873184 148298615 /nfs/dbraw/zinc/29/86/15/148298615.db2.gz GYKGNHYTSIHZBY-HZMBPMFUSA-N 0 3 323.780 2.414 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000374889588 148302320 /nfs/dbraw/zinc/30/23/20/148302320.db2.gz CIQTWBVVAMCMLC-DOMZBBRYSA-N 0 3 303.362 2.069 20 5 DEBDHN CCOC(=O)c1ccnc(NC[C@H](C)N(C)C2CC2)c1[N+](=O)[O-] ZINC000077963825 401837571 /nfs/dbraw/zinc/83/75/71/401837571.db2.gz NLTKXBAEJKEUBR-JTQLQIEISA-N 0 3 322.365 2.061 20 5 DEBDHN C[C@@H](CN1CCCCC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000130772529 401838791 /nfs/dbraw/zinc/83/87/91/401838791.db2.gz CXHUCWYGGDZDIF-LBPRGKRZSA-N 0 3 323.368 2.267 20 5 DEBDHN O=C(CCc1cccc([N+](=O)[O-])c1)NCCN1CCCCC1 ZINC000087115781 401927979 /nfs/dbraw/zinc/92/79/79/401927979.db2.gz UQLGNULFFJILTM-UHFFFAOYSA-N 0 3 305.378 2.130 20 5 DEBDHN CS[C@H]1CCCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000134604209 401908174 /nfs/dbraw/zinc/90/81/74/401908174.db2.gz FBLVHNCJERACSB-ZDUSSCGKSA-N 0 3 323.418 2.411 20 5 DEBDHN CCCCN(C)CCNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000120699363 401999177 /nfs/dbraw/zinc/99/91/77/401999177.db2.gz IOYXYGVCUOFVPX-UHFFFAOYSA-N 0 3 322.409 2.168 20 5 DEBDHN C[C@@H](CN1CCOCC1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000049963654 402023386 /nfs/dbraw/zinc/02/33/86/402023386.db2.gz YHCVPXNNUNXUJL-NSHDSACASA-N 0 3 313.785 2.059 20 5 DEBDHN CCOc1ccc([C@@H](C)NCCNC(=O)C2CC2)cc1[N+](=O)[O-] ZINC000152588029 402101606 /nfs/dbraw/zinc/10/16/06/402101606.db2.gz VYRDJLOXKIIQBT-LLVKDONJSA-N 0 3 321.377 2.170 20 5 DEBDHN CCN1CCC[C@H]1CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000067179174 402154173 /nfs/dbraw/zinc/15/41/73/402154173.db2.gz PNRSFJGTPXUFPZ-VSGCLNPGSA-N 0 3 303.362 2.209 20 5 DEBDHN Cc1cccc(OC[C@@H](O)CNCc2cccc([N+](=O)[O-])c2)c1 ZINC000067254223 402155058 /nfs/dbraw/zinc/15/50/58/402155058.db2.gz WNMZKPJQKOSVKQ-INIZCTEOSA-N 0 3 316.357 2.433 20 5 DEBDHN CCOc1ccc(C(=O)N2CCC[C@@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000068342346 402194619 /nfs/dbraw/zinc/19/46/19/402194619.db2.gz KZYDHOPNANRNIP-CYBMUJFWSA-N 0 3 321.377 2.160 20 5 DEBDHN CC(C)N(C)CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000126088056 402264012 /nfs/dbraw/zinc/26/40/12/402264012.db2.gz HQQJGXKPJSNUAF-UHFFFAOYSA-N 0 3 305.378 2.426 20 5 DEBDHN O=[N+]([O-])c1ccn(CCN2CCCN(c3ccccc3)CC2)n1 ZINC000176214039 402291332 /nfs/dbraw/zinc/29/13/32/402291332.db2.gz DBMZMQDJSTXXMD-UHFFFAOYSA-N 0 3 315.377 2.004 20 5 DEBDHN CCN1CCC[C@@H]1CN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000159123403 402318013 /nfs/dbraw/zinc/31/80/13/402318013.db2.gz KHYKUUGOJPBHEZ-CQSZACIVSA-N 0 3 323.368 2.219 20 5 DEBDHN CN1CCC(Nc2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000231628758 402354816 /nfs/dbraw/zinc/35/48/16/402354816.db2.gz JOIWMAPHYLDVHB-UHFFFAOYSA-N 0 3 315.171 2.258 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000177068170 402366241 /nfs/dbraw/zinc/36/62/41/402366241.db2.gz LWWMWDHQFOVURW-NEPJUHHUSA-N 0 3 303.362 2.258 20 5 DEBDHN CN(C)CCN(C)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000177506236 402410562 /nfs/dbraw/zinc/41/05/62/402410562.db2.gz LNJMWDUWFRBANW-UHFFFAOYSA-N 0 3 300.746 2.274 20 5 DEBDHN CC1(C)CC[C@H](CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)O1 ZINC000248548946 402595684 /nfs/dbraw/zinc/59/56/84/402595684.db2.gz HBAUCXFFWSDFQD-TZMCWYRMSA-N 0 3 320.393 2.434 20 5 DEBDHN COC(=O)C[C@H]1CCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000179152970 402576384 /nfs/dbraw/zinc/57/63/84/402576384.db2.gz NGXFXZJRAJAZOT-CYBMUJFWSA-N 0 3 308.334 2.001 20 5 DEBDHN CO[C@H](C)[C@H](C)N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000191703595 402687384 /nfs/dbraw/zinc/68/73/84/402687384.db2.gz GGICAHLYJWRIIC-QJPTWQEYSA-N 0 3 309.366 2.243 20 5 DEBDHN COc1cccc(C(=O)N(C)C[C@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000192581606 402738264 /nfs/dbraw/zinc/73/82/64/402738264.db2.gz FMSOPAJACFSYRM-LBPRGKRZSA-N 0 3 321.377 2.017 20 5 DEBDHN O=[N+]([O-])c1cccc(N2CCN(CCCn3ccnc3)CC2)c1 ZINC000183160900 402744079 /nfs/dbraw/zinc/74/40/79/402744079.db2.gz BAXXWFHLDQOHAY-UHFFFAOYSA-N 0 3 315.377 2.004 20 5 DEBDHN CNC(=O)C(C)(C)CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193067458 402763072 /nfs/dbraw/zinc/76/30/72/402763072.db2.gz VJCIOHFVBDYQHI-CQSZACIVSA-N 0 3 305.378 2.334 20 5 DEBDHN COc1cc(C[NH2+]C[C@H]2CCO[C@@H](C)C2)c([N+](=O)[O-])cc1[O-] ZINC000271516931 402878182 /nfs/dbraw/zinc/87/81/82/402878182.db2.gz PXLRHHHMNSZANC-QWRGUYRKSA-N 0 3 310.350 2.214 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000278893403 402882830 /nfs/dbraw/zinc/88/28/30/402882830.db2.gz ZQUKMVOELXHLET-DGCLKSJQSA-N 0 3 303.362 2.116 20 5 DEBDHN O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@H](N2CCCCC2)C1 ZINC000264558927 402889283 /nfs/dbraw/zinc/88/92/83/402889283.db2.gz QIQBAILYUWYREW-HNNXBMFYSA-N 0 3 303.362 2.295 20 5 DEBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1Nc1c([N+](=O)[O-])ncn1C ZINC000274146891 403030774 /nfs/dbraw/zinc/03/07/74/403030774.db2.gz ICQJGYWEBLHCEY-GXTWGEPZSA-N 0 3 315.377 2.261 20 5 DEBDHN O=[N+]([O-])c1cccc(CNCCc2cn3c(n2)SCC3)c1 ZINC000274263209 403039830 /nfs/dbraw/zinc/03/98/30/403039830.db2.gz OAFJZCVOAIRTRL-UHFFFAOYSA-N 0 3 304.375 2.229 20 5 DEBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000268240630 403065648 /nfs/dbraw/zinc/06/56/48/403065648.db2.gz UXMXKOQIGNDYDM-TVQRCGJNSA-N 0 3 323.780 2.461 20 5 DEBDHN C[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)[C@H](c1ccccc1)N(C)C ZINC000274710828 403080777 /nfs/dbraw/zinc/08/07/77/403080777.db2.gz QFBSVOVPYRYSEV-XHDPSFHLSA-N 0 3 316.361 2.344 20 5 DEBDHN CC[C@@H]1CN(c2cccc(C)c2[N+](=O)[O-])CCN1C[C@H](C)O ZINC000275473154 403103454 /nfs/dbraw/zinc/10/34/54/403103454.db2.gz OMAKKQYYVVYSRN-UONOGXRCSA-N 0 3 307.394 2.185 20 5 DEBDHN CC[C@H](O)[C@H]1CCCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269642119 403152833 /nfs/dbraw/zinc/15/28/33/403152833.db2.gz JPCIEZOEPZTJKZ-OWCLPIDISA-N 0 3 308.378 2.254 20 5 DEBDHN Cc1cnc(C2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)s1 ZINC000277380477 403211683 /nfs/dbraw/zinc/21/16/83/403211683.db2.gz JQHRQXCUACKIFU-UHFFFAOYSA-N 0 3 321.406 2.436 20 5 DEBDHN C[C@H]1CSCCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283352097 403191220 /nfs/dbraw/zinc/19/12/20/403191220.db2.gz QZPMBOIMDJMSSJ-NSHDSACASA-N 0 3 309.391 2.361 20 5 DEBDHN CS[C@H]1CN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000270970190 403246911 /nfs/dbraw/zinc/24/69/11/403246911.db2.gz BQGSUOOKAJOBNK-KGLIPLIRSA-N 0 3 323.418 2.021 20 5 DEBDHN CCN(CCOC)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000271026131 403254951 /nfs/dbraw/zinc/25/49/51/403254951.db2.gz AJYGFJOPYNNBFL-UHFFFAOYSA-N 0 3 318.377 2.464 20 5 DEBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@@H]1CC(=O)N(C)C1 ZINC000271178355 403274187 /nfs/dbraw/zinc/27/41/87/403274187.db2.gz VJRZGBXUEFZISO-NWDGAFQWSA-N 0 3 323.418 2.286 20 5 DEBDHN C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)C ZINC000298384038 403370438 /nfs/dbraw/zinc/37/04/38/403370438.db2.gz HJNIYXHYWNXQBD-QMMMGPOBSA-N 0 3 300.746 2.320 20 5 DEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000285775551 403377224 /nfs/dbraw/zinc/37/72/24/403377224.db2.gz DQAUDIXWHLGLHO-KFWWJZLASA-N 0 3 319.405 2.451 20 5 DEBDHN CN(C)[C@@H]1CCCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000342879458 403382162 /nfs/dbraw/zinc/38/21/62/403382162.db2.gz CVYSTKKSESRMPG-LLVKDONJSA-N 0 3 316.361 2.242 20 5 DEBDHN CN1CCCC[C@@H]1CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000298516283 403403083 /nfs/dbraw/zinc/40/30/83/403403083.db2.gz PYILIDLLQISDSB-LLVKDONJSA-N 0 3 317.345 2.065 20 5 DEBDHN CC[C@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])N(CC)CC ZINC000345608615 403403948 /nfs/dbraw/zinc/40/39/48/403403948.db2.gz NLSXTEFRUPYECO-CQSZACIVSA-N 0 3 322.409 2.243 20 5 DEBDHN O=[N+]([O-])c1ccc(N2CCC(CN3CCOCC3)CC2)c(F)c1 ZINC000298707837 403445135 /nfs/dbraw/zinc/44/51/35/403445135.db2.gz JLENURZUWZYECK-UHFFFAOYSA-N 0 3 323.368 2.283 20 5 DEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC[C@H](C(N)=O)C1 ZINC000347335014 403668757 /nfs/dbraw/zinc/66/87/57/403668757.db2.gz JUQZUJIWGFOADW-UNJUUPHPSA-N 0 3 303.362 2.195 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(N2C[C@H](SC)[C@@H](N(C)C)C2)c1 ZINC000271625991 286383260 /nfs/dbraw/zinc/38/32/60/286383260.db2.gz MYQPWQJNXNGTLD-KBPBESRZSA-N 0 3 311.407 2.085 20 5 DEBDHN Cc1cc(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000343822555 403746072 /nfs/dbraw/zinc/74/60/72/403746072.db2.gz GWSQSFHKBVDQKZ-RISCZKNCSA-N 0 3 303.362 2.116 20 5 DEBDHN CCC[C@]1(CO)CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000288893835 403788855 /nfs/dbraw/zinc/78/88/55/403788855.db2.gz SACHAGUURMMJME-INIZCTEOSA-N 0 3 308.378 2.458 20 5 DEBDHN Cc1ccc(CN[C@@H](C2CC2)[C@@]2(CO)CCCO2)cc1[N+](=O)[O-] ZINC000354717266 403965606 /nfs/dbraw/zinc/96/56/06/403965606.db2.gz ARGPQMDEXWPHHN-IRXDYDNUSA-N 0 3 320.389 2.313 20 5 DEBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](N2CCOCC2)[C@H]1C ZINC000290003104 404015090 /nfs/dbraw/zinc/01/50/90/404015090.db2.gz ZFRUNFFNFCGLLY-JJRVBVJISA-N 0 3 319.405 2.451 20 5 DEBDHN CC1(C)[C@H](NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]2CCO[C@H]21 ZINC000296120783 404102566 /nfs/dbraw/zinc/10/25/66/404102566.db2.gz IRAYIISXTWAWTI-MRVWCRGKSA-N 0 3 321.333 2.406 20 5 DEBDHN COC(=O)[C@]1(C)CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000412103993 404137615 /nfs/dbraw/zinc/13/76/15/404137615.db2.gz MBMRCSALLALESX-MRXNPFEDSA-N 0 3 306.362 2.412 20 5 DEBDHN COC(=O)[C@]1(C)CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000412106046 404138298 /nfs/dbraw/zinc/13/82/98/404138298.db2.gz PSQXBKJYBGQWMO-MRXNPFEDSA-N 0 3 322.361 2.249 20 5 DEBDHN Cc1ccc(CN2CCC3(CCN(C)C3=O)CC2)cc1[N+](=O)[O-] ZINC000369648126 404177339 /nfs/dbraw/zinc/17/73/39/404177339.db2.gz LGSBZHRIXGKJRN-UHFFFAOYSA-N 0 3 317.389 2.348 20 5 DEBDHN C[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)[C@@H](c1ccccc1)N(C)C ZINC000349797399 404203925 /nfs/dbraw/zinc/20/39/25/404203925.db2.gz BUWMEIVXIVALQZ-NHYWBVRUSA-N 0 3 316.361 2.344 20 5 DEBDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000296460673 404261127 /nfs/dbraw/zinc/26/11/27/404261127.db2.gz PHMFWZMRDFNOSX-LBPRGKRZSA-N 0 3 308.382 2.163 20 5 DEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@H]1CCCS(=O)(=O)C1 ZINC000344797538 404373688 /nfs/dbraw/zinc/37/36/88/404373688.db2.gz WUUIJIAKWPRMPM-BCNIOPEESA-N 0 3 324.402 2.165 20 5 DEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCCNc1cnccn1 ZINC000345043834 404512856 /nfs/dbraw/zinc/51/28/56/404512856.db2.gz KFLYNVFNUYNMDA-LCYFTJDESA-N 0 3 313.361 2.490 20 5 DEBDHN CCCCN(C)CCNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000352666692 404527780 /nfs/dbraw/zinc/52/77/80/404527780.db2.gz WTJGOFZBVMKZAI-UHFFFAOYSA-N 0 3 308.382 2.126 20 5 DEBDHN CN(CCc1ccccc1[N+](=O)[O-])Cc1cccc(C(N)=O)c1 ZINC000352543899 404445747 /nfs/dbraw/zinc/44/57/47/404445747.db2.gz LAYCVLCMRDTPCL-UHFFFAOYSA-N 0 3 313.357 2.368 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1CN1CC[C@H]([C@@H]2CCOC2)C1 ZINC000373777550 404587248 /nfs/dbraw/zinc/58/72/48/404587248.db2.gz MWJKNCCMHZUJSK-GXTWGEPZSA-N 0 3 306.362 2.462 20 5 DEBDHN C[C@@H]1CSC[C@H]1NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000352816567 404642797 /nfs/dbraw/zinc/64/27/97/404642797.db2.gz OUJQOCAWECOQEC-NOZJJQNGSA-N 0 3 310.375 2.302 20 5 DEBDHN O=C1C[C@H](CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CN1 ZINC000414490887 404654297 /nfs/dbraw/zinc/65/42/97/404654297.db2.gz YJCUBEUUJDDPDF-LLVKDONJSA-N 0 3 315.329 2.081 20 5 DEBDHN C[C@@H]1[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CCCN1C ZINC000351618474 404674345 /nfs/dbraw/zinc/67/43/45/404674345.db2.gz HKJPIXSGVAQVHM-BXKDBHETSA-N 0 3 310.329 2.338 20 5 DEBDHN COC(=O)CC1(NCCOc2ccccc2[N+](=O)[O-])CCC1 ZINC000352998295 404715771 /nfs/dbraw/zinc/71/57/71/404715771.db2.gz CYOAIJSFOMBVLP-UHFFFAOYSA-N 0 3 308.334 2.049 20 5 DEBDHN COc1c(C(=O)N[C@H](C)CN2CCCCC2)cccc1[N+](=O)[O-] ZINC000354408281 405199637 /nfs/dbraw/zinc/19/96/37/405199637.db2.gz VGXSTGZAOCPFSH-GFCCVEGCSA-N 0 3 321.377 2.208 20 5 DEBDHN CN(C/C=C\c1ccccc1[N+](=O)[O-])CC1(O)CCOCC1 ZINC000438543458 405249928 /nfs/dbraw/zinc/24/99/28/405249928.db2.gz XQCAASRCYRPVMV-XQRVVYSFSA-N 0 3 306.362 2.081 20 5 DEBDHN Cc1cc(N2CCC(NCc3ccc([N+](=O)[O-])cc3)CC2)n[nH]1 ZINC000438906821 405258646 /nfs/dbraw/zinc/25/86/46/405258646.db2.gz HCALCFXKNAJFGL-UHFFFAOYSA-N 0 3 315.377 2.385 20 5 DEBDHN C[C@H](NC(=O)NC(C)(C)CN(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000458890401 405641746 /nfs/dbraw/zinc/64/17/46/405641746.db2.gz OZBMDMHESXRGIA-NSHDSACASA-N 0 3 308.382 2.295 20 5 DEBDHN C[C@H](N[C@@]1(C)CCO[C@@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000494231540 405666508 /nfs/dbraw/zinc/66/65/08/405666508.db2.gz SQZQRBTUBMCZMY-RWSFTLGLSA-N 0 3 307.350 2.079 20 5 DEBDHN CC1(C)CCCN1CCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000457084609 405687695 /nfs/dbraw/zinc/68/76/95/405687695.db2.gz YWOVVNUYQQRJOF-UHFFFAOYSA-N 0 3 309.341 2.338 20 5 DEBDHN COc1ccc(C(=O)N(C)[C@H]2CCN(C(C)C)C2)cc1[N+](=O)[O-] ZINC000457087684 405689529 /nfs/dbraw/zinc/68/95/29/405689529.db2.gz QOVZWPXITOBCRK-ZDUSSCGKSA-N 0 3 321.377 2.158 20 5 DEBDHN Cc1cnc(NCCCN2CCCO[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000432859581 405823944 /nfs/dbraw/zinc/82/39/44/405823944.db2.gz OHAHMVFFMGBOOM-CYBMUJFWSA-N 0 3 308.382 2.211 20 5 DEBDHN CCN1C[C@@H](C)N(CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000459492126 405928601 /nfs/dbraw/zinc/92/86/01/405928601.db2.gz ZTDGXYHONYBLTD-OKILXGFUSA-N 0 3 307.394 2.388 20 5 DEBDHN CN(C)CC(C)(C)NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000459544498 405949067 /nfs/dbraw/zinc/94/90/67/405949067.db2.gz ZXCJYJGBQMUFCO-UHFFFAOYSA-N 0 3 319.365 2.075 20 5 DEBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NCCN1CC[C@@H](C)C1 ZINC000562527430 406025871 /nfs/dbraw/zinc/02/58/71/406025871.db2.gz NWKLRQZWJAQVAC-GFCCVEGCSA-N 0 3 321.377 2.065 20 5 DEBDHN CCN1CCCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000486983479 406196392 /nfs/dbraw/zinc/19/63/92/406196392.db2.gz RLMUNONRQOORAX-UHFFFAOYSA-N 0 3 317.349 2.177 20 5 DEBDHN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCN(C)C1 ZINC000519627144 406224501 /nfs/dbraw/zinc/22/45/01/406224501.db2.gz PZLYTUAFNZXDJM-LLVKDONJSA-N 0 3 306.366 2.305 20 5 DEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCc1ccsc1 ZINC000519732985 406243165 /nfs/dbraw/zinc/24/31/65/406243165.db2.gz XPCBSQQHMSNPPH-LBPRGKRZSA-N 0 3 308.359 2.186 20 5 DEBDHN Cc1cc([N+](=O)[O-])cnc1N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000488768412 406346502 /nfs/dbraw/zinc/34/65/02/406346502.db2.gz WXKZVNQPAWZFEU-SLEUVZQESA-N 0 3 304.394 2.465 20 5 DEBDHN C[C@@H](C(=O)NC[C@H](C)N(C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000570376740 406384405 /nfs/dbraw/zinc/38/44/05/406384405.db2.gz NDPPDUDPPKLPTM-NWDGAFQWSA-N 0 3 305.378 2.297 20 5 DEBDHN C[C@H](C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000572830117 406745442 /nfs/dbraw/zinc/74/54/42/406745442.db2.gz HBKKJUZTFDVIOX-MKBNYLNASA-N 0 3 317.389 2.297 20 5 DEBDHN CN(C(=O)/C=C\c1cccc([N+](=O)[O-])c1)[C@H]1CCN(C2CC2)C1 ZINC000491794074 406724055 /nfs/dbraw/zinc/72/40/55/406724055.db2.gz JFEHZRSYKNWFRP-SBSDFTTDSA-N 0 3 315.373 2.303 20 5 DEBDHN CN1CCC[C@@H](CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000555959379 406858941 /nfs/dbraw/zinc/85/89/41/406858941.db2.gz XSEUDSGIJAOHCG-ZDUSSCGKSA-N 0 3 319.405 2.330 20 5 DEBDHN Cc1ccc(CN2CCN(C3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000129746969 196072765 /nfs/dbraw/zinc/07/27/65/196072765.db2.gz WMESASHNCDWLBQ-UHFFFAOYSA-N 0 3 319.405 2.200 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCCN1CCC(O)CC1)CCC2 ZINC000295917249 225377560 /nfs/dbraw/zinc/37/75/60/225377560.db2.gz JONUBKHRDOLRQK-QGZVFWFLSA-N 0 3 319.405 2.019 20 5 DEBDHN Cc1cc(NC2CCN(CCN(C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000290910307 222012956 /nfs/dbraw/zinc/01/29/56/222012956.db2.gz GHCXRFQXJZYIOR-UHFFFAOYSA-N 0 3 324.400 2.480 20 5 DEBDHN C[C@H](NC(=O)N1CCN[C@H](C)[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000418237189 229280606 /nfs/dbraw/zinc/28/06/06/229280606.db2.gz VUFBXGZUDXLSOC-GRYCIOLGSA-N 0 3 306.366 2.048 20 5 DEBDHN C[C@H](CNc1ncc([N+](=O)[O-])cn1)N(C)Cc1ccccc1 ZINC000302107837 230098775 /nfs/dbraw/zinc/09/87/75/230098775.db2.gz AOYCOMYAKSTXRH-GFCCVEGCSA-N 0 3 301.350 2.317 20 5 DEBDHN C[C@H]1C[C@H](Nc2nc3ccccc3cc2[N+](=O)[O-])CCN1C ZINC000352358986 425045202 /nfs/dbraw/zinc/04/52/02/425045202.db2.gz AQMZDQXKRRYVNM-WCQYABFASA-N 0 3 300.362 3.038 20 5 DEBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000488753843 269146576 /nfs/dbraw/zinc/14/65/76/269146576.db2.gz SLPGRHMEHNSPQT-YRGRVCCFSA-N 0 3 321.425 2.286 20 5 DEBDHN C[C@H](N[C@@H]1CSC[C@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000507213915 269315793 /nfs/dbraw/zinc/31/57/93/269315793.db2.gz QRSGOUBXFANSEM-GBIKHYSHSA-N 0 3 309.391 2.263 20 5 DEBDHN C[C@@H]1C[C@@H](Nc2ncnc3sc([N+](=O)[O-])cc32)CCN1C ZINC000336846965 274395630 /nfs/dbraw/zinc/39/56/30/274395630.db2.gz CFUMWQLBCALUCD-BDAKNGLRSA-N 0 3 307.379 2.494 20 5 DEBDHN C[C@H](N[C@]1(C)CCO[C@@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000494258158 274531621 /nfs/dbraw/zinc/53/16/21/274531621.db2.gz XYIFZKICQWJTAF-FIXISWKDSA-N 0 3 307.350 2.079 20 5 DEBDHN O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCN2CCC[C@H]2C1 ZINC000278362558 275040728 /nfs/dbraw/zinc/04/07/28/275040728.db2.gz KLLZAXRMZXHNOF-VIFPVBQESA-N 0 3 316.283 2.293 20 5 DEBDHN CC(C)[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)N(C)C ZINC000130297819 275665379 /nfs/dbraw/zinc/66/53/79/275665379.db2.gz QFBNSFQZRNBDBO-HNNXBMFYSA-N 0 3 305.378 2.066 20 5 DEBDHN C[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N(C)C ZINC000266276564 278281668 /nfs/dbraw/zinc/28/16/68/278281668.db2.gz SCDBWYADBRUFSI-QMMMGPOBSA-N 0 3 319.283 2.294 20 5 DEBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180970557 279310695 /nfs/dbraw/zinc/31/06/95/279310695.db2.gz OTWNESZDVWKJTC-NWDGAFQWSA-N 0 3 320.393 2.027 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@H](C(=O)N(C)C)C1 ZINC000411936293 281021884 /nfs/dbraw/zinc/02/18/84/281021884.db2.gz FLCXYIPOXGKWBV-STQMWFEESA-N 0 3 305.378 2.374 20 5 DEBDHN C[C@H](N[C@H]1CC(=O)N2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000337884217 290039204 /nfs/dbraw/zinc/03/92/04/290039204.db2.gz WRRRQBWHYOHHPO-CQDKDKBSSA-N 0 3 303.362 2.399 20 5 DEBDHN C[C@@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)[C@H](C)CN1C ZINC000408102112 297086954 /nfs/dbraw/zinc/08/69/54/297086954.db2.gz ABALNKBEYQZPNO-RKDXNWHRSA-N 0 3 307.379 2.128 20 5 DEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC(CF)CC1 ZINC000295175622 304808778 /nfs/dbraw/zinc/80/87/78/304808778.db2.gz QSJDTCAFJIHRDY-CYBMUJFWSA-N 0 3 312.341 2.016 20 5 DEBDHN C[C@@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])CCN1C1CCCC1 ZINC001349385155 1151245750 /nfs/dbraw/zinc/24/57/50/1151245750.db2.gz YGWBYNPGTUEPKU-CYBMUJFWSA-N 0 3 311.426 2.297 20 5 DEBDHN O=[N+]([O-])c1cccc(N2CCN(C[C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000575119758 326220498 /nfs/dbraw/zinc/22/04/98/326220498.db2.gz JDWSNYQHTLSJCC-PBHICJAKSA-N 0 3 319.405 2.268 20 5 DEBDHN CSc1ccc(C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000576315995 326284287 /nfs/dbraw/zinc/28/42/87/326284287.db2.gz HZSJMSCMZVXKQQ-WCQYABFASA-N 0 3 321.402 2.093 20 5 DEBDHN CC(C)Oc1nc(N(C)C[C@H]2CCCN2C)ccc1[N+](=O)[O-] ZINC000576480075 326297352 /nfs/dbraw/zinc/29/73/52/326297352.db2.gz TZSUOHZWZLAKJB-GFCCVEGCSA-N 0 3 308.382 2.307 20 5 DEBDHN C[C@H](C(=O)NC1CCN(C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000577809739 341938269 /nfs/dbraw/zinc/93/82/69/341938269.db2.gz AXCDTFIXNJXAMT-LBPRGKRZSA-N 0 3 317.389 2.441 20 5 DEBDHN C[C@@H](CNc1ncc([N+](=O)[O-])cn1)N(C)Cc1ccccc1 ZINC000302107840 534098653 /nfs/dbraw/zinc/09/86/53/534098653.db2.gz AOYCOMYAKSTXRH-LBPRGKRZSA-N 0 3 301.350 2.317 20 5 DEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@H](C)C(=O)NCCF ZINC000337280518 518441965 /nfs/dbraw/zinc/44/19/65/518441965.db2.gz HFHGSTWDLVIJMJ-JATZPVMKSA-N 0 3 309.341 2.062 20 5 DEBDHN Cc1cccc(OCCN(C)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000157727896 524740067 /nfs/dbraw/zinc/74/00/67/524740067.db2.gz GRCRHRNYPUEPHL-UHFFFAOYSA-N 0 3 304.350 2.111 20 5 DEBDHN Cc1c(CC(=O)NCCN2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000161683789 525691871 /nfs/dbraw/zinc/69/18/71/525691871.db2.gz WKLYQZKYZFDPGZ-UHFFFAOYSA-N 0 3 319.405 2.294 20 5 DEBDHN CC(C)(CNCc1cccc([N+](=O)[O-])c1)C1(O)CCOCC1 ZINC000418123436 527172179 /nfs/dbraw/zinc/17/21/79/527172179.db2.gz GTVKCWMDHLOKCW-UHFFFAOYSA-N 0 3 308.378 2.252 20 5 DEBDHN CCN1CCC(Nc2ccc(CC(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000296658267 528989258 /nfs/dbraw/zinc/98/92/58/528989258.db2.gz YBQRAJFRSINJKX-UHFFFAOYSA-N 0 3 321.377 2.207 20 5 DEBDHN CCC1(CC)CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000295903790 529081218 /nfs/dbraw/zinc/08/12/18/529081218.db2.gz GTBGEZIQSDEKHY-ZDUSSCGKSA-N 0 3 308.378 2.457 20 5 DEBDHN CC(C)C[C@@H]1CN(C)CCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000933251166 624127321 /nfs/dbraw/zinc/12/73/21/624127321.db2.gz HEXZEIGYPITZQF-SJORKVTESA-N 0 3 321.421 2.290 20 5 DEBDHN O=C(OCc1ccccc1[N+](=O)[O-])C1CCCN(C2CC2)C1=O ZINC000924054386 624612070 /nfs/dbraw/zinc/61/20/70/624612070.db2.gz UCABHMIMCMSZSQ-ZDUSSCGKSA-N 0 3 318.329 2.039 20 5 DEBDHN O=[N+]([O-])c1ccc([C@@H](O)CNCc2cccc3c2OCC3)cc1 ZINC000921703940 634787795 /nfs/dbraw/zinc/78/77/95/634787795.db2.gz DWCZGCKXZQOTNZ-INIZCTEOSA-N 0 3 314.341 2.353 20 5 DEBDHN Cc1cc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCN(C)[C@H]3C2)cc1Cl ZINC000836850873 650136267 /nfs/dbraw/zinc/13/62/67/650136267.db2.gz ZVDQLDWXZKFKJY-YGRLFVJLSA-N 0 3 323.780 2.333 20 5 DEBDHN COc1c(O)ccc(CN[C@@]2(C)CCO[C@@H]2C2CC2)c1[N+](=O)[O-] ZINC000893538572 634227143 /nfs/dbraw/zinc/22/71/43/634227143.db2.gz ZEJQFKROGRRGBZ-CVEARBPZSA-N 0 3 322.361 2.356 20 5 DEBDHN CN(CCOC(=O)c1ccc([N+](=O)[O-])n1C)Cc1ccccc1 ZINC000837398061 650194304 /nfs/dbraw/zinc/19/43/04/650194304.db2.gz GSFILLGJGVFIJE-UHFFFAOYSA-N 0 3 317.345 2.222 20 5 DEBDHN CN(CCOC(=O)c1cc([N+](=O)[O-])cn1C)Cc1ccccc1 ZINC000837398064 650194308 /nfs/dbraw/zinc/19/43/08/650194308.db2.gz GUXOZSIRLDGXGG-UHFFFAOYSA-N 0 3 317.345 2.222 20 5 DEBDHN COc1c(O)ccc(CN(C)[C@H]2CC[C@H](O)CC2)c1[N+](=O)[O-] ZINC000893902926 636058930 /nfs/dbraw/zinc/05/89/30/636058930.db2.gz RJMNFQHPIXUTQX-HAQNSBGRSA-N 0 3 310.350 2.044 20 5 DEBDHN CN1C[C@H](CCNCc2cc(Cl)ccc2[N+](=O)[O-])CC1=O ZINC000922487809 636198868 /nfs/dbraw/zinc/19/88/68/636198868.db2.gz DZSDFGVXEPVFSI-SNVBAGLBSA-N 0 3 311.769 2.206 20 5 DEBDHN CCN1CCC[C@@H](NC/C=C\c2ccccc2[N+](=O)[O-])C1=O ZINC000922640361 636295832 /nfs/dbraw/zinc/29/58/32/636295832.db2.gz UMQQXZAIJXCXFQ-BMWLXYDHSA-N 0 3 303.362 2.209 20 5 DEBDHN COc1c([O-])ccc(C[NH2+]C2CCC(OC)CC2)c1[N+](=O)[O-] ZINC000894857497 637262723 /nfs/dbraw/zinc/26/27/23/637262723.db2.gz BBSCYTVFKURGLT-UHFFFAOYSA-N 0 3 310.350 2.356 20 5 DEBDHN COc1c([O-])ccc(C[NH2+]C[C@@H]2C[C@H](C)O[C@@H]2C)c1[N+](=O)[O-] ZINC000894911395 637326315 /nfs/dbraw/zinc/32/63/15/637326315.db2.gz WZNIOLBRLHZAPR-UMNHJUIQSA-N 0 3 310.350 2.212 20 5 DEBDHN NC(=O)[C@@H]1C[C@@H](O)CN1Cc1c2ccccc2cc2ccccc21 ZINC000895946724 638274515 /nfs/dbraw/zinc/27/45/15/638274515.db2.gz UECQSGHMWUPWOM-BEFAXECRSA-N 0 3 320.392 2.414 20 5 DEBDHN O=[N+]([O-])c1cc(Cl)ccc1CN[C@H](CO)C[C@H]1CCCO1 ZINC000896043782 638328940 /nfs/dbraw/zinc/32/89/40/638328940.db2.gz SZDSXLLVBHFECW-QWHCGFSZSA-N 0 3 314.769 2.268 20 5 DEBDHN CN1CC[C@@H]1CNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000896596286 638602026 /nfs/dbraw/zinc/60/20/26/638602026.db2.gz WWDJZOJMJBAHHS-LLVKDONJSA-N 0 3 303.284 2.407 20 5 DEBDHN C[C@@H](NC(=O)N[C@H]1CCN(C)[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000923983520 639721906 /nfs/dbraw/zinc/72/19/06/639721906.db2.gz SJWPECPPZDWMME-MDZLAQPJSA-N 0 3 306.366 2.048 20 5 DEBDHN O=[N+]([O-])c1ccc(Cl)c(CN[C@H](CO)[C@H]2CCCOC2)c1 ZINC000839647595 639790794 /nfs/dbraw/zinc/79/07/94/639790794.db2.gz UPHUIVSZTDXXGO-IINYFYTJSA-N 0 3 314.769 2.125 20 5 DEBDHN COCCN1CC[C@H](N[C@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872035880 639889375 /nfs/dbraw/zinc/88/93/75/639889375.db2.gz OIHORCUQCGGJOD-NEPJUHHUSA-N 0 3 311.357 2.105 20 5 DEBDHN C[C@@H](CC[S@@](C)=O)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761528313 640321333 /nfs/dbraw/zinc/32/13/33/640321333.db2.gz PVUZRLNTMPCENM-ZRNGKTOUSA-N 0 3 304.799 2.495 20 5 DEBDHN C[C@@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@H](C)CN1 ZINC000841011618 640713014 /nfs/dbraw/zinc/71/30/14/640713014.db2.gz SNTRFPKDGOIOIZ-RKDXNWHRSA-N 0 3 312.757 2.462 20 5 DEBDHN Cc1ccc(CN[C@]23CC(=O)N[C@H]2CCCC3)cc1[N+](=O)[O-] ZINC000898466546 641669932 /nfs/dbraw/zinc/66/99/32/641669932.db2.gz BJIJJFPBFYSADD-GOEBONIOSA-N 0 3 303.362 2.194 20 5 DEBDHN O=[N+]([O-])c1ccc([C@H](O)CN[C@H](CO)c2ccc(F)cc2)cc1 ZINC000782063563 642819919 /nfs/dbraw/zinc/81/99/19/642819919.db2.gz NDHMARNJLOWGBM-HZPDHXFCSA-N 0 3 320.320 2.091 20 5 DEBDHN Cc1nn(CN2CC[C@@H]3CCC[C@@H]32)c2ncc([N+](=O)[O-])cc12 ZINC000902652834 643102418 /nfs/dbraw/zinc/10/24/18/643102418.db2.gz YLZAFSJQZOXVBO-FZMZJTMJSA-N 0 3 301.350 2.480 20 5 DEBDHN Cn1cnc(CCCNCc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000842736354 650814019 /nfs/dbraw/zinc/81/40/19/650814019.db2.gz BVOKYYOJPZSJIV-UHFFFAOYSA-N 0 3 309.757 2.099 20 5 DEBDHN COc1cc([C@H](C)N[C@@H](CO)C[C@H]2CCCO2)cc([N+](=O)[O-])c1 ZINC000903218263 643292882 /nfs/dbraw/zinc/29/28/82/643292882.db2.gz BWLUHHMGJHZENE-NJZAAPMLSA-N 0 3 324.377 2.184 20 5 DEBDHN COc1cc([C@H](C)NCCOC2CCOCC2)cc([N+](=O)[O-])c1 ZINC000903228300 643299322 /nfs/dbraw/zinc/29/93/22/643299322.db2.gz TXSOVTWKDNAXOW-LBPRGKRZSA-N 0 3 324.377 2.450 20 5 DEBDHN CN(Cc1ccco1)Cc1ccccc1CNCC[N+](=O)[O-] ZINC000905131691 643806466 /nfs/dbraw/zinc/80/64/66/643806466.db2.gz HNWQQPWPSZAJDW-UHFFFAOYSA-N 0 3 303.362 2.278 20 5 DEBDHN CCN1CCCN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000910294912 645408185 /nfs/dbraw/zinc/40/81/85/645408185.db2.gz IQLQGESSOOESSJ-LBPRGKRZSA-N 0 3 321.377 2.160 20 5 DEBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N(C)C[C@@H]1CCCN1C ZINC000843907924 651046437 /nfs/dbraw/zinc/04/64/37/651046437.db2.gz CKXUBLDLEVBRTN-NSHDSACASA-N 0 3 309.341 2.209 20 5 DEBDHN Cc1oc(-c2ccccc2)nc1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813107016 646729441 /nfs/dbraw/zinc/72/94/41/646729441.db2.gz KEYDMSCMKSSPIH-SNVBAGLBSA-N 0 3 304.302 2.401 20 5 DEBDHN CC(COC(=O)Cc1ccc(Br)cc1)[N+](=O)[O-] ZINC000813103902 646729555 /nfs/dbraw/zinc/72/95/55/646729555.db2.gz HXAVABNJDXNQON-QMMMGPOBSA-N 0 3 302.124 2.200 20 5 DEBDHN Cc1nc(-c2ccccc2)ncc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813110444 646731056 /nfs/dbraw/zinc/73/10/56/646731056.db2.gz AVUZKRZZQYAVLD-JTQLQIEISA-N 0 3 301.302 2.274 20 5 DEBDHN CC(COC(=O)[C@@H]1CCCCN1Cc1ccc(F)cc1)[N+](=O)[O-] ZINC000813111343 646731254 /nfs/dbraw/zinc/73/12/54/646731254.db2.gz RLBVCWUQWCPPGT-WFASDCNBSA-N 0 3 324.352 2.389 20 5 DEBDHN CSCc1nc2ccccc2n1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813112750 646731541 /nfs/dbraw/zinc/73/15/41/646731541.db2.gz KKVLTXZERXHFET-JTQLQIEISA-N 0 3 323.374 2.108 20 5 DEBDHN CC(COC(=O)c1cc2c(C(F)F)nn(C)c2s1)[N+](=O)[O-] ZINC000813114168 646732589 /nfs/dbraw/zinc/73/25/89/646732589.db2.gz ZKCHJOYBVUHFDO-YFKPBYRVSA-N 0 3 319.289 2.394 20 5 DEBDHN CC(COC(=O)c1ccc(-c2cncnc2)cc1F)[N+](=O)[O-] ZINC000813114791 646732772 /nfs/dbraw/zinc/73/27/72/646732772.db2.gz GRWIRRMQGMADQU-VIFPVBQESA-N 0 3 305.265 2.105 20 5 DEBDHN CCOc1cccc2c1OCC(C(=O)OCC(C)[N+](=O)[O-])=C2 ZINC000813115104 646733318 /nfs/dbraw/zinc/73/33/18/646733318.db2.gz KPXLCAIVQHVFCC-SNVBAGLBSA-N 0 3 307.302 2.070 20 5 DEBDHN CCc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1-c1ccccc1 ZINC000813115741 646734428 /nfs/dbraw/zinc/73/44/28/646734428.db2.gz YZYWYUJXXKPTAO-LLVKDONJSA-N 0 3 303.318 2.257 20 5 DEBDHN CC(COC(=O)[C@H](C)Cc1cnc2ccccc2n1)[N+](=O)[O-] ZINC000816091335 647090080 /nfs/dbraw/zinc/09/00/80/647090080.db2.gz SQBJTEMNZACAHZ-GHMZBOCLSA-N 0 3 303.318 2.017 20 5 DEBDHN C[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)N1CCCCC1 ZINC000731457149 647480685 /nfs/dbraw/zinc/48/06/85/647480685.db2.gz JDQWAYFEBRXKLJ-NSHDSACASA-N 0 3 309.341 2.338 20 5 DEBDHN C[C@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)NCC[N+](=O)[O-] ZINC000929971730 647987904 /nfs/dbraw/zinc/98/79/04/647987904.db2.gz MAWXMYHFKUVTCR-SWLSCSKDSA-N 0 3 315.414 2.326 20 5 DEBDHN CC(C)CN(CCN(C)C)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823980247 648507563 /nfs/dbraw/zinc/50/75/63/648507563.db2.gz JQWUPCMNJCWNNM-UHFFFAOYSA-N 0 3 323.397 2.229 20 5 DEBDHN COc1cccc(C(=O)O[C@@H](C)CN2CCCC2)c1[N+](=O)[O-] ZINC000845663516 651267739 /nfs/dbraw/zinc/26/77/39/651267739.db2.gz KERLMWIVZNNFLT-NSHDSACASA-N 0 3 308.334 2.245 20 5 DEBDHN CC(C)(C)N1CC[C@@H]1COC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000845738373 651276254 /nfs/dbraw/zinc/27/62/54/651276254.db2.gz MMQIRZLJTBQJGW-CYBMUJFWSA-N 0 3 322.361 2.390 20 5 DEBDHN Cc1c(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cnn1C ZINC000845872596 651291356 /nfs/dbraw/zinc/29/13/56/651291356.db2.gz KDRSCIIEXHGVMO-HZMBPMFUSA-N 0 3 321.308 2.431 20 5 DEBDHN CC([C@H](OC(=O)CCn1cccn1)c1ccccc1F)[N+](=O)[O-] ZINC000845877352 651291656 /nfs/dbraw/zinc/29/16/56/651291656.db2.gz REQGSSWTAJNQSN-NHYWBVRUSA-N 0 3 321.308 2.362 20 5 DEBDHN CC([C@H](OC(=O)Cc1ccn(C)n1)c1ccccc1F)[N+](=O)[O-] ZINC000845878173 651291747 /nfs/dbraw/zinc/29/17/47/651291747.db2.gz RNVLGOCUCRLYQV-BMIGLBTASA-N 0 3 321.308 2.051 20 5 DEBDHN CC([C@H](OC(=O)Cc1ccnn1C)c1ccccc1F)[N+](=O)[O-] ZINC000845884107 651291944 /nfs/dbraw/zinc/29/19/44/651291944.db2.gz XMYRVJOEJHQEAK-BMIGLBTASA-N 0 3 321.308 2.051 20 5 DEBDHN C[C@H](CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)N1CCCC1 ZINC000160972571 684328027 /nfs/dbraw/zinc/32/80/27/684328027.db2.gz XPGOIQUXDBSFAN-SNVBAGLBSA-N 0 3 311.769 2.462 20 5 DEBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000861809661 686185978 /nfs/dbraw/zinc/18/59/78/686185978.db2.gz YEPVJFWBOHFNAL-CABZTGNLSA-N 0 3 309.753 2.024 20 5 DEBDHN CN1CC[C@@](O)(CNc2c(Cl)c(Cl)ccc2[N+](=O)[O-])C1 ZINC000865678741 687299317 /nfs/dbraw/zinc/29/93/17/687299317.db2.gz FBRSJENJEMWYJO-GFCCVEGCSA-N 0 3 320.176 2.380 20 5 DEBDHN C[C@H](NC[C@@H](O)CCC1(O)CCC1)c1ccccc1[N+](=O)[O-] ZINC000930235928 694116830 /nfs/dbraw/zinc/11/68/30/694116830.db2.gz SFBRMSLKTCBTRC-STQMWFEESA-N 0 3 308.378 2.302 20 5 DEBDHN CCC(=O)N1CC[C@H](NCc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000873079294 689155906 /nfs/dbraw/zinc/15/59/06/689155906.db2.gz VUUVGFVHTBEHBW-ZDUSSCGKSA-N 0 3 305.378 2.312 20 5 DEBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@H]2C[C@H](O)C2)c1 ZINC000873177274 689177292 /nfs/dbraw/zinc/17/72/92/689177292.db2.gz CKEDIKANYQTQHB-JLIMDTESSA-N 0 3 302.277 2.057 20 5 DEBDHN Cc1cc(F)cc(C(=O)N2CC[C@H]3[C@@H]2CCCN3C)c1[N+](=O)[O-] ZINC000874838964 689511175 /nfs/dbraw/zinc/51/11/75/689511175.db2.gz SLJSXMDTOYVQQO-KBPBESRZSA-N 0 3 321.352 2.351 20 5 DEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000931057511 694306739 /nfs/dbraw/zinc/30/67/39/694306739.db2.gz PEDNBOBSQVIEPW-WFASDCNBSA-N 0 3 318.377 2.379 20 5 DEBDHN Cc1nc(CNC2CC(n3cc([N+](=O)[O-])cn3)C2)sc1C ZINC000877062932 690010683 /nfs/dbraw/zinc/01/06/83/690010683.db2.gz FPEFALXATJPSLK-UHFFFAOYSA-N 0 3 307.379 2.358 20 5 DEBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC[C@@H]2c2cn[nH]c2)cc1 ZINC000878876858 690518943 /nfs/dbraw/zinc/51/89/43/690518943.db2.gz WFCVFIIMFRCCBM-CABCVRRESA-N 0 3 302.334 2.188 20 5 DEBDHN COC(=O)C[C@](C)(NCc1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000879440287 690641855 /nfs/dbraw/zinc/64/18/55/690641855.db2.gz AWFODSXCUOFACR-INIZCTEOSA-N 0 3 322.361 2.425 20 5 DEBDHN Cc1c(CN2CCC3(CC2)COCCO3)cccc1[N+](=O)[O-] ZINC000880542611 690922556 /nfs/dbraw/zinc/92/25/56/690922556.db2.gz IGFQFBPSGOPTEA-UHFFFAOYSA-N 0 3 306.362 2.285 20 5 DEBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCC[C@H]1CCCS1(=O)=O ZINC000883309951 691479751 /nfs/dbraw/zinc/47/97/51/691479751.db2.gz XNWLKJNTKNAERC-RISCZKNCSA-N 0 3 324.402 2.139 20 5 DEBDHN CC(C)[C@@H](C(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-])N(C)C ZINC000887403260 692356227 /nfs/dbraw/zinc/35/62/27/692356227.db2.gz SHATWLFPFVHSSN-WFASDCNBSA-N 0 3 307.394 2.401 20 5 DEBDHN Cc1ccc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])nn1 ZINC001344024779 1150792920 /nfs/dbraw/zinc/79/29/20/1150792920.db2.gz XGAUGXJJBCLIEO-IINYFYTJSA-N 0 3 319.292 2.487 20 5 DEBDHN Cc1ccc(C(=O)NCCN2CCC(C)(C)C2)cc1[N+](=O)[O-] ZINC001440034907 1181342442 /nfs/dbraw/zinc/34/24/42/1181342442.db2.gz RCUXDXXHWTUNSH-UHFFFAOYSA-N 0 3 305.378 2.365 20 5 DEBDHN CN1Cc2cc(-n3nc(CN)c4ccccc43)cc([N+](=O)[O-])c2N1 ZINC001167701898 777902930 /nfs/dbraw/zinc/90/29/30/777902930.db2.gz XARSDYUYAHAQAY-UHFFFAOYSA-N 0 3 324.344 2.165 20 5 DEBDHN O=C1N[C@H](Nc2cc3c(cc2[N+](=O)[O-])CNC3)c2ccccc21 ZINC001171128682 790720069 /nfs/dbraw/zinc/72/00/69/790720069.db2.gz ZNXOMFKOSMNESM-HNNXBMFYSA-N 0 3 310.313 2.052 20 5 DEBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1sccc1F ZINC001126697790 780424471 /nfs/dbraw/zinc/42/44/71/780424471.db2.gz FZECJGNVANPBMI-UHFFFAOYSA-N 0 3 323.349 2.315 20 5 DEBDHN COC(=O)c1ccc2c(c1)CN([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169036054 785010808 /nfs/dbraw/zinc/01/08/08/785010808.db2.gz MUDNGUICZBLLLS-WBMJQRKESA-N 0 3 318.373 2.277 20 5 DEBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCN(c3ccccc3F)CC2)C1 ZINC001169026538 785019989 /nfs/dbraw/zinc/01/99/89/785019989.db2.gz MGNGSJAPEWMYIE-ZIAGYGMSSA-N 0 3 307.369 2.393 20 5 DEBDHN COc1c([O-])ccc(C[NH2+][C@@H](C)C[C@H]2CCOC2)c1[N+](=O)[O-] ZINC001333749747 1150086461 /nfs/dbraw/zinc/08/64/61/1150086461.db2.gz BZYPQNMBROQCAQ-WDEREUQCSA-N 0 3 310.350 2.214 20 5 DEBDHN COc1ccc(C[C@@H](C)NCc2cnc(C)cn2)c([N+](=O)[O-])c1 ZINC001170298549 786894839 /nfs/dbraw/zinc/89/48/39/786894839.db2.gz MAEUOIYWTPXIKF-LLVKDONJSA-N 0 3 316.361 2.423 20 5 DEBDHN COc1ccc(C[C@H](C)N2CC(C3COC3)C2)c([N+](=O)[O-])c1 ZINC001170330347 786911542 /nfs/dbraw/zinc/91/15/42/786911542.db2.gz ZOGBECIVMUFAQB-NSHDSACASA-N 0 3 306.362 2.113 20 5 DEBDHN COc1ccc(C[C@@H](C)N2CCC[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC001170328279 786911797 /nfs/dbraw/zinc/91/17/97/786911797.db2.gz ITENQDXJBWRBPO-OLZOCXBDSA-N 0 3 308.378 2.239 20 5 DEBDHN COc1ccc(C[C@H](C)N2C[C@H]3CC[C@@H](C2)N3C)c([N+](=O)[O-])c1 ZINC001170353423 786916851 /nfs/dbraw/zinc/91/68/51/786916851.db2.gz YADMAGCCAONCHT-AEGPPILISA-N 0 3 319.405 2.313 20 5 DEBDHN COc1ccc(C[C@H](C)N2CC[C@@H](O)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001170353405 786917339 /nfs/dbraw/zinc/91/73/39/786917339.db2.gz XSSDDJYMHOHGAM-OUCADQQQSA-N 0 3 308.378 2.380 20 5 DEBDHN COc1ccc(C[C@@H](C)N2CC(N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC001170348704 786931306 /nfs/dbraw/zinc/93/13/06/786931306.db2.gz ZSQWWQKXNHHPGM-CYBMUJFWSA-N 0 3 319.405 2.314 20 5 DEBDHN Cc1cc(C)c(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)[nH]1 ZINC001130311099 787343944 /nfs/dbraw/zinc/34/39/44/787343944.db2.gz PBTMHRLYMUKLOC-UHFFFAOYSA-N 0 3 316.361 2.059 20 5 DEBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)C1(C2CC2)CCC1 ZINC001131913625 787798673 /nfs/dbraw/zinc/79/86/73/787798673.db2.gz VOHFCFWPUUUMOC-UHFFFAOYSA-N 0 3 317.389 2.381 20 5 DEBDHN CSC[C@](C)(O)CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000217855885 789333868 /nfs/dbraw/zinc/33/38/68/789333868.db2.gz MUUSIKATIUZBOH-GFCCVEGCSA-N 0 3 304.799 2.452 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1CCC3(C1)OCCO3)CC2 ZINC001172912561 793544787 /nfs/dbraw/zinc/54/47/87/793544787.db2.gz BVAGDPJIGBLOKF-OAHLLOKOSA-N 0 3 318.373 2.291 20 5 DEBDHN CCN(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C(C)(C)C ZINC001117761340 795103684 /nfs/dbraw/zinc/10/36/84/795103684.db2.gz WGNBKYAUWHXXJB-UHFFFAOYSA-N 0 3 323.349 2.382 20 5 DEBDHN COc1c(O)ccc(CNCC2(OC)CCCC2)c1[N+](=O)[O-] ZINC001120057641 795400149 /nfs/dbraw/zinc/40/01/49/795400149.db2.gz NNYMFRYREKMMFA-UHFFFAOYSA-N 0 3 310.350 2.358 20 5 DEBDHN COc1c([O-])ccc(C[NH2+]CC2(OC)CCCC2)c1[N+](=O)[O-] ZINC001120057641 795400152 /nfs/dbraw/zinc/40/01/52/795400152.db2.gz NNYMFRYREKMMFA-UHFFFAOYSA-N 0 3 310.350 2.358 20 5 DEBDHN O=[N+]([O-])c1ccc(CNC[C@@H](O)C[C@H](O)c2ccccc2)cc1 ZINC001120472530 795468805 /nfs/dbraw/zinc/46/88/05/795468805.db2.gz OWFLSFDETMPQJF-IRXDYDNUSA-N 0 3 316.357 2.169 20 5 DEBDHN O=C(CCc1ccco1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001123411058 795909056 /nfs/dbraw/zinc/90/90/56/795909056.db2.gz ZUPCFZPMCUCUGQ-UHFFFAOYSA-N 0 3 317.345 2.026 20 5 DEBDHN Cc1nc(N(C)CCN(C)Cc2ccccc2)ncc1[N+](=O)[O-] ZINC001157557221 798229350 /nfs/dbraw/zinc/22/93/50/798229350.db2.gz ZWVJUOHJLGVPAR-UHFFFAOYSA-N 0 3 315.377 2.261 20 5 DEBDHN CC(C)N1CCN(c2cnc3cc([N+](=O)[O-])ccc3n2)C[C@@H]1C ZINC001158494876 798416927 /nfs/dbraw/zinc/41/69/27/798416927.db2.gz RTCLYERANMGKLK-LBPRGKRZSA-N 0 3 315.377 2.457 20 5 DEBDHN CCN1CCN(c2cc([N+](=O)[O-])c3cc[nH]c3n2)C(C)(C)C1 ZINC001158562056 798429853 /nfs/dbraw/zinc/42/98/53/798429853.db2.gz ZAMYWYHHGPXPFN-UHFFFAOYSA-N 0 3 303.366 2.392 20 5 DEBDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1cc(N)c([N+](=O)[O-])cn1 ZINC001159594925 798585575 /nfs/dbraw/zinc/58/55/75/798585575.db2.gz LETNBPCZBMOIHG-JTQLQIEISA-N 0 3 324.344 2.444 20 5 DEBDHN Cc1c(C)c(-n2nc(-c3ccncc3)cc2CN)ncc1[N+](=O)[O-] ZINC001160338885 798677514 /nfs/dbraw/zinc/67/75/14/798677514.db2.gz MEGYOOQBGUFYMY-UHFFFAOYSA-N 0 3 324.344 2.313 20 5 DEBDHN Cc1c(F)cc([N+](=O)[O-])cc1NCCCN1CCN(C)CC1 ZINC001161711369 798919940 /nfs/dbraw/zinc/91/99/40/798919940.db2.gz LGIBYVMREUXJEZ-UHFFFAOYSA-N 0 3 310.373 2.092 20 5 DEBDHN C[C@@H](Nc1cc2c(cc1[N+](=O)[O-])CNC2)c1nnc2ccccn21 ZINC001162183208 799028905 /nfs/dbraw/zinc/02/89/05/799028905.db2.gz NBSNYSGCAUZALA-SNVBAGLBSA-N 0 3 324.344 2.414 20 5 DEBDHN COc1cc(N[C@@H]2CNCc3ccsc32)cnc1[N+](=O)[O-] ZINC001163227909 799282987 /nfs/dbraw/zinc/28/29/87/799282987.db2.gz FIVOLSOFDXWREC-SNVBAGLBSA-N 0 3 306.347 2.316 20 5 DEBDHN CC(C)(C)N1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC001165095395 799649397 /nfs/dbraw/zinc/64/93/97/799649397.db2.gz SFPPBUBCWOVPLH-UHFFFAOYSA-N 0 3 315.377 2.459 20 5 DEBDHN O=[N+]([O-])c1c(Cl)cc(Cl)nc1-n1ncc2c1CCNC2 ZINC001165219464 799676930 /nfs/dbraw/zinc/67/69/30/799676930.db2.gz SLZWTBNTQSPNHC-UHFFFAOYSA-N 0 3 314.132 2.128 20 5 DEBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])C1CC2(CC2)C1 ZINC001166380315 799864682 /nfs/dbraw/zinc/86/46/82/799864682.db2.gz PRKBWFMRNHDLRM-UHFFFAOYSA-N 0 3 317.389 2.381 20 5 DEBDHN NC(=O)CC1(NCc2ccc([N+](=O)[O-])cc2F)CCCCC1 ZINC000934824307 800467334 /nfs/dbraw/zinc/46/73/34/800467334.db2.gz XBPHKPVIKXGOKO-UHFFFAOYSA-N 0 3 309.341 2.402 20 5 DEBDHN O=[N+]([O-])c1ccc2oc(CO[C@H]3CN4CCC3CC4)nc2c1 ZINC001222928021 802749943 /nfs/dbraw/zinc/74/99/43/802749943.db2.gz BDDZPPWGVSXPLM-AWEZNQCLSA-N 0 3 303.318 2.347 20 5 DEBDHN COC(=O)c1ccc([N+](=O)[O-])c(OC2CCN(C3CC3)CC2)c1 ZINC001227044609 803191993 /nfs/dbraw/zinc/19/19/93/803191993.db2.gz OYVSYHGHSPJNRP-UHFFFAOYSA-N 0 3 320.345 2.387 20 5 DEBDHN CN1CCC[C@H](Oc2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC001227217383 803217343 /nfs/dbraw/zinc/21/73/43/803217343.db2.gz WIGDXXTUHHNZOY-NSHDSACASA-N 0 3 303.318 2.322 20 5 DEBDHN CCN1CCC[C@H](Oc2cc(C(=O)OC)cc([N+](=O)[O-])c2)C1 ZINC001228769933 803408695 /nfs/dbraw/zinc/40/86/95/803408695.db2.gz DZCSJXMZWSSDJM-ZDUSSCGKSA-N 0 3 308.334 2.245 20 5 DEBDHN CC[C@@H]1CCC[N@@H+]1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001604105182 1070222615 /nfs/dbraw/zinc/22/26/15/1070222615.db2.gz BFOFFTVTOOJDIY-SNVBAGLBSA-N 0 3 302.338 2.149 20 5 DEBDHN CC[C@@H]1CCC[N@H+]1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001604105182 1070222628 /nfs/dbraw/zinc/22/26/28/1070222628.db2.gz BFOFFTVTOOJDIY-SNVBAGLBSA-N 0 3 302.338 2.149 20 5 DEBDHN CC[C@@H]1CCC[N@@H+]1Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001604105182 1070222640 /nfs/dbraw/zinc/22/26/40/1070222640.db2.gz BFOFFTVTOOJDIY-SNVBAGLBSA-N 0 3 302.338 2.149 20 5 DEBDHN CC[C@@H]1CCC[N@H+]1Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001604105182 1070222650 /nfs/dbraw/zinc/22/26/50/1070222650.db2.gz BFOFFTVTOOJDIY-SNVBAGLBSA-N 0 3 302.338 2.149 20 5 DEBDHN CCOc1cc(NC(=O)N2C[C@H](C)NC[C@@H]2C)ccc1[N+](=O)[O-] ZINC001578168215 1067003512 /nfs/dbraw/zinc/00/35/12/1067003512.db2.gz ANIFXGWPFRKIOD-QWRGUYRKSA-N 0 3 322.365 2.208 20 5 DEBDHN CN1C[C@H](NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])C(C)(C)C1 ZINC001646378755 1074434000 /nfs/dbraw/zinc/43/40/00/1074434000.db2.gz JRAICQWVVXZRFZ-AWEZNQCLSA-N 0 3 323.368 2.123 20 5 DEBDHN CC[C@@H](C)C[C@@H](CO)NCc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001560899284 1075147816 /nfs/dbraw/zinc/14/78/16/1075147816.db2.gz OGMBUPMFSNLXLT-PWSUYJOCSA-N 0 3 312.366 2.196 20 5 DEBDHN CC1(C)CCC[C@@H]1[NH2+]Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590095340 1076562567 /nfs/dbraw/zinc/56/25/67/1076562567.db2.gz RMRUULHKAQOSTA-ZDUSSCGKSA-N 0 3 316.365 2.443 20 5 DEBDHN CC1(C)CCC[C@@H]1[NH2+]Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590095340 1076562572 /nfs/dbraw/zinc/56/25/72/1076562572.db2.gz RMRUULHKAQOSTA-ZDUSSCGKSA-N 0 3 316.365 2.443 20 5 DEBDHN CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590501884 1076642001 /nfs/dbraw/zinc/64/20/01/1076642001.db2.gz GSQOBTYGXWTOIX-ZWNOBZJWSA-N 0 3 316.365 2.395 20 5 DEBDHN CC[C@@H]1[C@H](C)CC[N@H+]1Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590501884 1076642003 /nfs/dbraw/zinc/64/20/03/1076642003.db2.gz GSQOBTYGXWTOIX-ZWNOBZJWSA-N 0 3 316.365 2.395 20 5 DEBDHN CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590501884 1076642004 /nfs/dbraw/zinc/64/20/04/1076642004.db2.gz GSQOBTYGXWTOIX-ZWNOBZJWSA-N 0 3 316.365 2.395 20 5 DEBDHN CC[C@@H]1[C@H](C)CC[N@H+]1Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590501884 1076642005 /nfs/dbraw/zinc/64/20/05/1076642005.db2.gz GSQOBTYGXWTOIX-ZWNOBZJWSA-N 0 3 316.365 2.395 20 5 DEBDHN CC(C)(C(=O)N[C@@]12CCN(C1)CCC2)c1ccc([N+](=O)[O-])cc1 ZINC001595645542 1077065739 /nfs/dbraw/zinc/06/57/39/1077065739.db2.gz BYEZYZRYUMWYQQ-KRWDZBQOSA-N 0 3 317.389 2.227 20 5 DEBDHN CC[N@@H+](Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])CC1CCC1 ZINC001609225075 1077807005 /nfs/dbraw/zinc/80/70/05/1077807005.db2.gz SMNQJTKWGOCREG-UHFFFAOYSA-N 0 3 316.365 2.397 20 5 DEBDHN CC[N@H+](Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])CC1CCC1 ZINC001609225075 1077807010 /nfs/dbraw/zinc/80/70/10/1077807010.db2.gz SMNQJTKWGOCREG-UHFFFAOYSA-N 0 3 316.365 2.397 20 5 DEBDHN CC[N@@H+](Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])CC1CCC1 ZINC001609225075 1077807017 /nfs/dbraw/zinc/80/70/17/1077807017.db2.gz SMNQJTKWGOCREG-UHFFFAOYSA-N 0 3 316.365 2.397 20 5 DEBDHN CC[N@H+](Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])CC1CCC1 ZINC001609225075 1077807022 /nfs/dbraw/zinc/80/70/22/1077807022.db2.gz SMNQJTKWGOCREG-UHFFFAOYSA-N 0 3 316.365 2.397 20 5 DEBDHN C[C@H]([NH2+]Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C1CCCC1 ZINC001609375783 1077843572 /nfs/dbraw/zinc/84/35/72/1077843572.db2.gz UJPNVQYKZSDSGW-JTQLQIEISA-N 0 3 316.365 2.443 20 5 DEBDHN C[C@H]([NH2+]Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C1CCCC1 ZINC001609375783 1077843575 /nfs/dbraw/zinc/84/35/75/1077843575.db2.gz UJPNVQYKZSDSGW-JTQLQIEISA-N 0 3 316.365 2.443 20 5 DEBDHN COc1c(O)ccc(CNCC2(C3(O)CCC3)CC2)c1[N+](=O)[O-] ZINC001653174482 1079915743 /nfs/dbraw/zinc/91/57/43/1079915743.db2.gz BROHSCQUCQSJAH-UHFFFAOYSA-N 0 3 322.361 2.094 20 5 DEBDHN COc1c([O-])ccc(C[NH2+]CC2(C3(O)CCC3)CC2)c1[N+](=O)[O-] ZINC001653174482 1079915750 /nfs/dbraw/zinc/91/57/50/1079915750.db2.gz BROHSCQUCQSJAH-UHFFFAOYSA-N 0 3 322.361 2.094 20 5 DEBDHN CN(CCCCCCNC(=O)OC(C)(C)C)CC[N+](=O)[O-] ZINC001655527831 1080002053 /nfs/dbraw/zinc/00/20/53/1080002053.db2.gz SWQQGDVCRBITQS-UHFFFAOYSA-N 0 3 303.403 2.280 20 5 DEBDHN COc1cc(C[NH2+]CCc2nc(C)cs2)c([N+](=O)[O-])cc1[O-] ZINC001656029184 1080031770 /nfs/dbraw/zinc/03/17/70/1080031770.db2.gz FOURXWYFQDKTGK-UHFFFAOYSA-N 0 3 323.374 2.406 20 5 DEBDHN CC/C(C)=C\C(=O)N(C)CCNCc1cccc([N+](=O)[O-])c1 ZINC001663920397 1080838303 /nfs/dbraw/zinc/83/83/03/1080838303.db2.gz VLDQTZREEREDLQ-RAXLEYEMSA-N 0 3 305.378 2.499 20 5 DEBDHN CC(=O)N(C)C1CCN([C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254566371 1143249844 /nfs/dbraw/zinc/24/98/44/1143249844.db2.gz SXLXDYOYGNDWTF-CYBMUJFWSA-N 0 3 319.405 2.469 20 5 DEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCc2nccn2CC1 ZINC001254566832 1143251176 /nfs/dbraw/zinc/25/11/76/1143251176.db2.gz UNQMVVGCBHAKPA-ZDUSSCGKSA-N 0 3 300.362 2.281 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](NCc1cncc(Cl)n1)C2 ZINC001254579953 1143259972 /nfs/dbraw/zinc/25/99/72/1143259972.db2.gz XNQVPWOFSGDGJR-NSHDSACASA-N 0 3 304.737 2.295 20 5 DEBDHN O=C(CN[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)NC1CCCCC1 ZINC001254583766 1143268792 /nfs/dbraw/zinc/26/87/92/1143268792.db2.gz NZMMOZDPSLADTE-OAHLLOKOSA-N 0 3 317.389 2.101 20 5 DEBDHN O=C1OCCC12CCN([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254609799 1143283065 /nfs/dbraw/zinc/28/30/65/1143283065.db2.gz YHMHHNAJKPYFIN-OAHLLOKOSA-N 0 3 316.357 2.091 20 5 DEBDHN Cc1nc2n(n1)C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1C)CC2 ZINC000160439031 282126179 /nfs/dbraw/zinc/12/61/79/282126179.db2.gz NCWUFZZQKMFZPJ-WCQYABFASA-N 0 3 315.377 2.469 20 5 DEBDHN Cc1cc(NCCNC(=O)C2CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000272846634 210242617 /nfs/dbraw/zinc/24/26/17/210242617.db2.gz NZRFDNKZLHYICL-UHFFFAOYSA-N 0 3 314.345 2.390 20 5 DEBDHN CN(CCOCC1CC1)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000088598950 185258951 /nfs/dbraw/zinc/25/89/51/185258951.db2.gz MGPOHUPLWJJLGB-UHFFFAOYSA-N 0 3 321.377 2.282 20 5 DEBDHN Cc1ccc([C@H](C)NCC2(CO)CCOCC2)cc1[N+](=O)[O-] ZINC000090660879 185308342 /nfs/dbraw/zinc/30/83/42/185308342.db2.gz FMFOTFQNIWHXTK-ZDUSSCGKSA-N 0 3 308.378 2.343 20 5 DEBDHN CC[C@H](C)N1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000295903409 529700630 /nfs/dbraw/zinc/70/06/30/529700630.db2.gz DGLVJVISBKJKPW-XJKSGUPXSA-N 0 3 307.394 2.044 20 5 DEBDHN O=[N+]([O-])c1ccn(CCN[C@H](CCO)c2ccc(Cl)cc2)n1 ZINC000286659166 219108465 /nfs/dbraw/zinc/10/84/65/219108465.db2.gz AOQLRFZTZCARKX-CYBMUJFWSA-N 0 3 324.768 2.158 20 5 DEBDHN COc1cc(CNC[C@H]2CCSC2)c([N+](=O)[O-])cc1OC ZINC000279685930 215060747 /nfs/dbraw/zinc/06/07/47/215060747.db2.gz AKTQHXYZNJYEPP-SNVBAGLBSA-N 0 3 312.391 2.455 20 5 DEBDHN C[C@@H]1CN(CCN(C)CCc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000595482459 358461324 /nfs/dbraw/zinc/46/13/24/358461324.db2.gz BVIZPHOYUBRMGT-HUUCEWRRSA-N 0 3 321.421 2.178 20 5 DEBDHN Cc1noc(CN2CCN(C3CCC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000595501112 358466121 /nfs/dbraw/zinc/46/61/21/358466121.db2.gz HOKQOHXYMDOLHL-LLVKDONJSA-N 0 3 308.382 2.197 20 5 DEBDHN CC[C@H](CN1CCCC1)NC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000617407266 363123896 /nfs/dbraw/zinc/12/38/96/363123896.db2.gz ZZGIIIJZTHUURD-GFCCVEGCSA-N 0 3 321.377 2.208 20 5 DEBDHN C[C@@H]1CCCN(CCNC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000067725669 354776022 /nfs/dbraw/zinc/77/60/22/354776022.db2.gz CVSQWVPHPHFJKI-CYBMUJFWSA-N 0 3 320.393 2.126 20 5 DEBDHN C[C@@H](O)CCN(C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000072714454 354915551 /nfs/dbraw/zinc/91/55/51/354915551.db2.gz GVGBZNMCUXYTSF-GFCCVEGCSA-N 0 3 319.361 2.495 20 5 DEBDHN Cc1c(CN2CCC3(CNC(=O)C3)CC2)cccc1[N+](=O)[O-] ZINC000075012745 355064286 /nfs/dbraw/zinc/06/42/86/355064286.db2.gz QGUXAWYRVNIFQI-UHFFFAOYSA-N 0 3 303.362 2.005 20 5 DEBDHN CNc1ccc(C(=O)N2CCCN(C(C)C)CC2)cc1[N+](=O)[O-] ZINC000075694087 355102620 /nfs/dbraw/zinc/10/26/20/355102620.db2.gz AFAQDWHVCVOIQM-UHFFFAOYSA-N 0 3 320.393 2.193 20 5 DEBDHN O=[N+]([O-])c1c(F)cccc1NC1CCN([C@H]2CCOC2)CC1 ZINC000089603397 355538700 /nfs/dbraw/zinc/53/87/00/355538700.db2.gz ZUSISLRHGVLXFR-LBPRGKRZSA-N 0 3 309.341 2.399 20 5 DEBDHN CCOC(=O)c1cc(NCCN(C)C2CC2)ccc1[N+](=O)[O-] ZINC000091459872 355597120 /nfs/dbraw/zinc/59/71/20/355597120.db2.gz OPMJITDPKOLTQW-UHFFFAOYSA-N 0 3 307.350 2.278 20 5 DEBDHN O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCN(CC2CC2)C1 ZINC000108431883 355734696 /nfs/dbraw/zinc/73/46/96/355734696.db2.gz KNIISBGNEODGSB-CYBMUJFWSA-N 0 3 304.350 2.201 20 5 DEBDHN CN1CCC[C@@H](CNC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000108338753 355734717 /nfs/dbraw/zinc/73/47/17/355734717.db2.gz MFHFQJLTNIRVCA-LBPRGKRZSA-N 0 3 323.418 2.145 20 5 DEBDHN CC[C@H](NCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CCCO1 ZINC000182316728 356120156 /nfs/dbraw/zinc/12/01/56/356120156.db2.gz OJICPKPPTWJLAB-DZGCQCFKSA-N 0 3 321.377 2.389 20 5 DEBDHN CCOC(=O)C[C@@H](C)N(C)CCOc1ccccc1[N+](=O)[O-] ZINC000182656644 356136766 /nfs/dbraw/zinc/13/67/66/356136766.db2.gz HQRKCEDTEFJZMX-GFCCVEGCSA-N 0 3 310.350 2.247 20 5 DEBDHN C[C@@H](C(=O)NC[C@H]1CCCN1C)c1ccc([N+](=O)[O-])cc1F ZINC000185119637 356202698 /nfs/dbraw/zinc/20/26/98/356202698.db2.gz UJSZCPHMLRVYDF-ZYHUDNBSSA-N 0 3 309.341 2.048 20 5 DEBDHN CCN(CCNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000185165981 356203589 /nfs/dbraw/zinc/20/35/89/356203589.db2.gz MVYODIJIJZFTEK-LLVKDONJSA-N 0 3 323.368 2.438 20 5 DEBDHN CN1CCC[C@@H]1CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000237081091 356294254 /nfs/dbraw/zinc/29/42/54/356294254.db2.gz SBAGCKSEKZGRLJ-GFCCVEGCSA-N 0 3 315.320 2.380 20 5 DEBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000157264777 283162651 /nfs/dbraw/zinc/16/26/51/283162651.db2.gz GNDQZQSAUXMQGR-RISCZKNCSA-N 0 3 321.352 2.290 20 5 DEBDHN CC(C)N(CCN(C)C)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000618343553 363464985 /nfs/dbraw/zinc/46/49/85/363464985.db2.gz TXCBFSSDGYINPY-UHFFFAOYSA-N 0 3 303.366 2.314 20 5 DEBDHN CCn1cnnc1CCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000618571843 363531266 /nfs/dbraw/zinc/53/12/66/363531266.db2.gz BGWWQKMNFDTTNE-HNNXBMFYSA-N 0 3 315.377 2.416 20 5 DEBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H](N2CCCC2)[C@@H]1C ZINC000588839475 357427964 /nfs/dbraw/zinc/42/79/64/357427964.db2.gz YNQPSQDOVKJCGB-AAEUAGOBSA-N 0 3 307.398 2.183 20 5 DEBDHN CN(C)c1ncccc1CNCCc1ccc([N+](=O)[O-])cc1 ZINC000588925645 357434912 /nfs/dbraw/zinc/43/49/12/357434912.db2.gz RGNLXVWELMUUKE-UHFFFAOYSA-N 0 3 300.362 2.388 20 5 DEBDHN C[C@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)CCN(C2CC2)C1 ZINC000590703962 357585696 /nfs/dbraw/zinc/58/56/96/357585696.db2.gz PLQJADMWHTXKJI-GFCCVEGCSA-N 0 3 316.405 2.483 20 5 DEBDHN CCOC(=O)Cc1ccc(NCCN(C)C2CC2)c([N+](=O)[O-])c1 ZINC000591901206 357787092 /nfs/dbraw/zinc/78/70/92/357787092.db2.gz RBDJVESBXAXUBX-UHFFFAOYSA-N 0 3 321.377 2.207 20 5 DEBDHN CC(C)[C@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CCN1 ZINC000592244595 357856339 /nfs/dbraw/zinc/85/63/39/357856339.db2.gz DPQQGBOAXZNPJJ-CYBMUJFWSA-N 0 3 317.345 2.411 20 5 DEBDHN O=c1c2cc([N+](=O)[O-])sc2ncn1CCCN1CCCCC1 ZINC000592357945 357865695 /nfs/dbraw/zinc/86/56/95/357865695.db2.gz XELCZYGUJAMYKZ-UHFFFAOYSA-N 0 3 322.390 2.242 20 5 DEBDHN C[C@H](NCCN1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000592992664 357983383 /nfs/dbraw/zinc/98/33/83/357983383.db2.gz AMBPSRMBECUTSR-MJBXVCDLSA-N 0 3 307.394 2.355 20 5 DEBDHN O=C(CNC1(C2CCC2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000593080319 358004059 /nfs/dbraw/zinc/00/40/59/358004059.db2.gz LXAWCPHWUQAIKV-UHFFFAOYSA-N 0 3 315.373 2.406 20 5 DEBDHN CN(CCN1CCCCC1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000593331946 358056760 /nfs/dbraw/zinc/05/67/60/358056760.db2.gz VHMILVMKWHCPAH-UHFFFAOYSA-N 0 3 320.393 2.222 20 5 DEBDHN CN(C)C[C@@H]1CCCCN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593450945 358081179 /nfs/dbraw/zinc/08/11/79/358081179.db2.gz HFRDLBACOMFMGD-AWEZNQCLSA-N 0 3 323.368 2.219 20 5 DEBDHN Cc1c([C@H](C)NCC[C@]2(O)CCCOC2)cccc1[N+](=O)[O-] ZINC000593719416 358129878 /nfs/dbraw/zinc/12/98/78/358129878.db2.gz DAEHSSJEADIUNB-XJKSGUPXSA-N 0 3 308.378 2.485 20 5 DEBDHN Cn1ccnc1[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000593968978 358180711 /nfs/dbraw/zinc/18/07/11/358180711.db2.gz UPDBFUUINLZNKZ-CYBMUJFWSA-N 0 3 316.361 2.197 20 5 DEBDHN COc1ccc(-c2ccc(CN[C@H]3C[C@H](O)C3)o2)c([N+](=O)[O-])c1 ZINC000595000970 358376131 /nfs/dbraw/zinc/37/61/31/358376131.db2.gz OASMFTNANDLYGF-XYPYZODXSA-N 0 3 318.329 2.476 20 5 DEBDHN CO[C@@]1(C)C[C@H]1N[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000595109248 358390478 /nfs/dbraw/zinc/39/04/78/358390478.db2.gz VXQWCAZJYAVMLS-YVLXSGLVSA-N 0 3 307.350 2.079 20 5 DEBDHN C[C@@H](NCCc1nnn(C(C)(C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC000595417770 358443175 /nfs/dbraw/zinc/44/31/75/358443175.db2.gz ZRRJXSPFNYFIHE-LLVKDONJSA-N 0 3 318.381 2.230 20 5 DEBDHN CCN1CCN(CCCNc2cc(C)sc2[N+](=O)[O-])CC1 ZINC000596073331 358603745 /nfs/dbraw/zinc/60/37/45/358603745.db2.gz ISPDOSRHKYIFGC-UHFFFAOYSA-N 0 3 312.439 2.404 20 5 DEBDHN Cc1cc(N[C@@H](CO)CN(C)C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000596240879 358649711 /nfs/dbraw/zinc/64/97/11/358649711.db2.gz BAUHFOYYVQTDEE-SECBINFHSA-N 0 3 321.299 2.256 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@]2(CCN(C)C2)C1 ZINC000597717076 358987580 /nfs/dbraw/zinc/98/75/80/358987580.db2.gz YBOUOFQSSZDEDU-KRWDZBQOSA-N 0 3 317.389 2.461 20 5 DEBDHN CCCN1CC[C@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000598341970 359168845 /nfs/dbraw/zinc/16/88/45/359168845.db2.gz JPYZLYHIQPMXNN-JTQLQIEISA-N 0 3 311.769 2.462 20 5 DEBDHN CC(C)[C@@H]1CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CCN1 ZINC000598572779 359246198 /nfs/dbraw/zinc/24/61/98/359246198.db2.gz HKCJDUVKMMSARC-HNNXBMFYSA-N 0 3 316.361 2.146 20 5 DEBDHN CC(C)[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCN1 ZINC000598576615 359246745 /nfs/dbraw/zinc/24/67/45/359246745.db2.gz XTMNEWVSNCZFQO-ZDUSSCGKSA-N 0 3 311.769 2.318 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCN[C@H](C(C)C)C1 ZINC000598574447 359247112 /nfs/dbraw/zinc/24/71/12/359247112.db2.gz RCZYAJPWYHRURQ-AWEZNQCLSA-N 0 3 305.378 2.282 20 5 DEBDHN C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)CN1 ZINC000598916295 359356823 /nfs/dbraw/zinc/35/68/23/359356823.db2.gz WXJFVXZTXHPGFE-RKDXNWHRSA-N 0 3 312.757 2.462 20 5 DEBDHN O=[N+]([O-])c1cc(NCCN2CC[C@H](O)C2)ccc1C(F)(F)F ZINC000599200099 359431693 /nfs/dbraw/zinc/43/16/93/359431693.db2.gz WPVCACJFDJFMHA-JTQLQIEISA-N 0 3 319.283 2.092 20 5 DEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(N2CCOCC2)CC1 ZINC000599474120 359505491 /nfs/dbraw/zinc/50/54/91/359505491.db2.gz IHKKNJOGXGYALA-CQSZACIVSA-N 0 3 319.405 2.452 20 5 DEBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3COC[C@H]3O)s2)cc1 ZINC000601140044 359937415 /nfs/dbraw/zinc/93/74/15/359937415.db2.gz QKRVXQJBTUMWPI-UONOGXRCSA-N 0 3 320.370 2.173 20 5 DEBDHN CN1CC[C@]2(C1)CCCN(C(=O)c1c(F)cccc1[N+](=O)[O-])C2 ZINC000601612254 360087388 /nfs/dbraw/zinc/08/73/88/360087388.db2.gz MZSRTVWFFSWFQJ-INIZCTEOSA-N 0 3 321.352 2.292 20 5 DEBDHN CC[C@@](C)(CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)OC ZINC000602476209 360394316 /nfs/dbraw/zinc/39/43/16/360394316.db2.gz WNFCLGIQNJAPHA-DOMZBBRYSA-N 0 3 308.382 2.291 20 5 DEBDHN COc1ccc(CNC[C@H](OC)C2CCOCC2)cc1[N+](=O)[O-] ZINC000602528304 360418647 /nfs/dbraw/zinc/41/86/47/360418647.db2.gz OPHPOTRVBVBPRZ-INIZCTEOSA-N 0 3 324.377 2.135 20 5 DEBDHN COc1ccc(CN[C@@H](C)C[C@H]2CCCC(=O)N2)cc1[N+](=O)[O-] ZINC000602529018 360419209 /nfs/dbraw/zinc/41/92/09/360419209.db2.gz OFBVBASKZKXLFK-WCQYABFASA-N 0 3 321.377 2.140 20 5 DEBDHN COc1ccc([C@@H](C)NCCn2c(C)ncc2[N+](=O)[O-])cc1 ZINC000602803016 360563191 /nfs/dbraw/zinc/56/31/91/360563191.db2.gz UVYUMVZKYSSXPX-LLVKDONJSA-N 0 3 304.350 2.459 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@H](C)C(F)(F)[C@@H](C)C1 ZINC000602914691 360623393 /nfs/dbraw/zinc/62/33/93/360623393.db2.gz FEDUDMAYCSKTLI-UWVGGRQHSA-N 0 3 302.325 2.323 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000602914689 360623448 /nfs/dbraw/zinc/62/34/48/360623448.db2.gz FEDUDMAYCSKTLI-AOOOYVTPSA-N 0 3 302.325 2.323 20 5 DEBDHN C[C@]1(CCCO)CCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000271987934 209361862 /nfs/dbraw/zinc/36/18/62/209361862.db2.gz DCJJHKHTNYRJII-JKSUJKDBSA-N 0 3 308.378 2.255 20 5 DEBDHN CN(C)Cc1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000610520035 361414920 /nfs/dbraw/zinc/41/49/20/361414920.db2.gz IQXBNXXAPGLEQP-UHFFFAOYSA-N 0 3 314.345 2.491 20 5 DEBDHN O=C1[C@H](N2C[C@@H]3CCC[C@H]32)CCN1c1cccc([N+](=O)[O-])c1 ZINC000610762642 361461500 /nfs/dbraw/zinc/46/15/00/361461500.db2.gz JFGMLSGGRXFTDV-NILFDRSVSA-N 0 3 301.346 2.184 20 5 DEBDHN CCN(C[C@@H]1CCOC1)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000611205159 361549426 /nfs/dbraw/zinc/54/94/26/361549426.db2.gz KDGZTBYQIDLAGT-STQMWFEESA-N 0 3 321.377 2.280 20 5 DEBDHN C[C@@H]1[C@@H](C)N(c2ncnc3ccc([N+](=O)[O-])cc32)CCN1C ZINC000611714723 361666262 /nfs/dbraw/zinc/66/62/62/361666262.db2.gz YPLDSGBDYVSQHN-GHMZBOCLSA-N 0 3 301.350 2.067 20 5 DEBDHN CC[C@@H]1CN(C)CCCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000619567142 363828248 /nfs/dbraw/zinc/82/82/48/363828248.db2.gz UVMREEHPQOYAAR-CQSZACIVSA-N 0 3 305.378 2.080 20 5 DEBDHN Cc1cc(C(=O)N2CCN(C3CC3)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000452170690 244000191 /nfs/dbraw/zinc/00/01/91/244000191.db2.gz MEUUNNIUGVQAOA-GFCCVEGCSA-N 0 3 317.389 2.460 20 5 DEBDHN C[C@H](NC[C@@H]1CCCN1CCCO)c1cccc([N+](=O)[O-])c1 ZINC000453264069 245031515 /nfs/dbraw/zinc/03/15/15/245031515.db2.gz UPDDEVNGBXEHAH-BBRMVZONSA-N 0 3 307.394 2.092 20 5 DEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1C[C@H]2CCCCN2C1=O ZINC000453414550 245124895 /nfs/dbraw/zinc/12/48/95/245124895.db2.gz BFQJLFFNUKLYCJ-YUELXQCFSA-N 0 3 317.389 2.269 20 5 DEBDHN CN(C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@H]1CCCN(C)C1 ZINC000265960061 205000287 /nfs/dbraw/zinc/00/02/87/205000287.db2.gz GPPKYHRAFDENAY-LBPRGKRZSA-N 0 3 316.361 2.242 20 5 DEBDHN C[C@H]1[C@@H](Nc2c([N+](=O)[O-])ncn2C)CCN1Cc1ccccc1 ZINC000288363188 220108837 /nfs/dbraw/zinc/10/88/37/220108837.db2.gz XUXHKEGRNQEKQZ-JSGCOSHPSA-N 0 3 315.377 2.403 20 5 DEBDHN Cc1c(NC(=O)[C@H](C)N[C@H](C)[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000266280028 205235676 /nfs/dbraw/zinc/23/56/76/205235676.db2.gz FXTAROUUSSNDFB-FRRDWIJNSA-N 0 3 321.377 2.245 20 5 DEBDHN CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(C)c2)CCN1C[C@@H](C)O ZINC000266433019 205341013 /nfs/dbraw/zinc/34/10/13/205341013.db2.gz URSRBSDDVLHYOZ-ZIAGYGMSSA-N 0 3 307.394 2.185 20 5 DEBDHN C[C@H](NC(=O)N[C@H]1CCCN(C)[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000454774806 246141340 /nfs/dbraw/zinc/14/13/40/246141340.db2.gz FECKVBRVLLSDSS-HUBLWGQQSA-N 0 3 320.393 2.438 20 5 DEBDHN CNc1ccc(C(=O)NC(C)(C)CN2CCCC2)cc1[N+](=O)[O-] ZINC000308671809 291692648 /nfs/dbraw/zinc/69/26/48/291692648.db2.gz ABURPCAXELXHPV-UHFFFAOYSA-N 0 3 320.393 2.241 20 5 DEBDHN Cc1noc(CCCN(C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000285313801 218378399 /nfs/dbraw/zinc/37/83/99/218378399.db2.gz MIVPGKLONHFPSD-UHFFFAOYSA-N 0 3 304.350 2.393 20 5 DEBDHN C[C@H]1CC[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000273428942 210767762 /nfs/dbraw/zinc/76/77/62/210767762.db2.gz KTLQCPSEFBGWKT-RYUDHWBXSA-N 0 3 312.391 2.147 20 5 DEBDHN C[C@H](N[C@H](CO)Cc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294525634 224071079 /nfs/dbraw/zinc/07/10/79/224071079.db2.gz ZMNSLNXBIMVMEA-WFASDCNBSA-N 0 3 315.373 2.431 20 5 DEBDHN COCCOC1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000116885387 194781252 /nfs/dbraw/zinc/78/12/52/194781252.db2.gz HVVXBWOKZCCVSR-UHFFFAOYSA-N 0 3 308.378 2.265 20 5 DEBDHN O=[N+]([O-])c1ccccc1N1CCN(CC[C@H]2CCOC2)CC1 ZINC000332137898 285163504 /nfs/dbraw/zinc/16/35/04/285163504.db2.gz MKJQOWKZCNJNKM-AWEZNQCLSA-N 0 3 305.378 2.143 20 5 DEBDHN O=[N+]([O-])c1ccccc1N1CCN(C[C@@H]2CCCOC2)CC1 ZINC000332361015 285163560 /nfs/dbraw/zinc/16/35/60/285163560.db2.gz JJQAGUAPTSSUPP-AWEZNQCLSA-N 0 3 305.378 2.143 20 5 DEBDHN COc1cccc(C(=O)N[C@@H]2CCCN(C(C)C)C2)c1[N+](=O)[O-] ZINC000444366029 533415803 /nfs/dbraw/zinc/41/58/03/533415803.db2.gz VQTIETSPNQUCLO-GFCCVEGCSA-N 0 3 321.377 2.206 20 5 DEBDHN CCN1C[C@@H](N[C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1=O ZINC000453330856 285445932 /nfs/dbraw/zinc/44/59/32/285445932.db2.gz TWKDIYGLGNOKLB-GJZGRUSLSA-N 0 3 317.389 2.126 20 5 DEBDHN CSC1(CNC(=O)c2ccccc2[N+](=O)[O-])CCN(C)CC1 ZINC000355470889 133028477 /nfs/dbraw/zinc/02/84/77/133028477.db2.gz QCHWXGWJNBEDCZ-UHFFFAOYSA-N 0 3 323.418 2.152 20 5 DEBDHN COC(=O)COc1ccc(CN2CC[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000355733517 133044813 /nfs/dbraw/zinc/04/48/13/133044813.db2.gz LKKSXTHXIYQGFO-VXGBXAGGSA-N 0 3 322.361 2.377 20 5 DEBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000356263166 133075591 /nfs/dbraw/zinc/07/55/91/133075591.db2.gz GKAQSPFSGRBVQC-ABAIWWIYSA-N 0 3 321.352 2.433 20 5 DEBDHN COc1ccc(NC(=O)N(C)CCN2CCCC2)cc1[N+](=O)[O-] ZINC000360394076 133179488 /nfs/dbraw/zinc/17/94/88/133179488.db2.gz KHOGXZGSEMIVLV-UHFFFAOYSA-N 0 3 322.365 2.163 20 5 DEBDHN O=[N+]([O-])c1cnn(CCN[C@H]2CCCc3c(O)cccc32)c1 ZINC000192356839 145073283 /nfs/dbraw/zinc/07/32/83/145073283.db2.gz ZRGOQYAXERGAEH-AWEZNQCLSA-N 0 3 302.334 2.164 20 5 DEBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000246633816 145108627 /nfs/dbraw/zinc/10/86/27/145108627.db2.gz KMPVUURIRVLTMO-ZFWWWQNUSA-N 0 3 303.362 2.151 20 5 DEBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000247384481 145135435 /nfs/dbraw/zinc/13/54/35/145135435.db2.gz UVLFMLJJYJIBRS-NEPJUHHUSA-N 0 3 320.393 2.027 20 5 DEBDHN O=[N+]([O-])c1cc(F)c(NC[C@@H]2CN3CCC[C@@H]3CO2)c(F)c1 ZINC000318076715 145367899 /nfs/dbraw/zinc/36/78/99/145367899.db2.gz GGMPFUCDEQXRJD-MWLCHTKSSA-N 0 3 313.304 2.148 20 5 DEBDHN CN(CCN(C)C1CC1)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000347073595 146190082 /nfs/dbraw/zinc/19/00/82/146190082.db2.gz RVLMUVXFPDKVSQ-UHFFFAOYSA-N 0 3 319.405 2.425 20 5 DEBDHN CN(C)CCO[C@H]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000349218297 146359599 /nfs/dbraw/zinc/35/95/99/146359599.db2.gz TZJJNWHVZRNPTB-LBPRGKRZSA-N 0 3 313.785 2.405 20 5 DEBDHN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCN(C)C ZINC000357169919 147055746 /nfs/dbraw/zinc/05/57/46/147055746.db2.gz GRSRDDJYWWAMML-UHFFFAOYSA-N 0 3 311.407 2.388 20 5 DEBDHN CC(C)N1C[C@H](C)[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000358407266 147127520 /nfs/dbraw/zinc/12/75/20/147127520.db2.gz FTNXCVNZBHHRMM-XHDPSFHLSA-N 0 3 323.368 2.121 20 5 DEBDHN Cc1c(CNC(=O)N[C@@H]2CCCN(C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000359284194 147298541 /nfs/dbraw/zinc/29/85/41/147298541.db2.gz LFTQDRHBUJJKJP-GXTWGEPZSA-N 0 3 320.393 2.185 20 5 DEBDHN C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1cnccc1N ZINC000565474662 292164236 /nfs/dbraw/zinc/16/42/36/292164236.db2.gz INMCYUQLIBDRJS-LLVKDONJSA-N 0 3 302.334 2.132 20 5 DEBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@H](C3CCOCC3)C2)c1 ZINC000374364159 148236237 /nfs/dbraw/zinc/23/62/37/148236237.db2.gz FSFWEYBEZDAMMB-DOTOQJQBSA-N 0 3 320.389 2.377 20 5 DEBDHN Cc1ccc([C@@H](C)N[C@@H](C)CCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000127249055 401725984 /nfs/dbraw/zinc/72/59/84/401725984.db2.gz MPEKKLWRDCVTPD-NWDGAFQWSA-N 0 3 314.407 2.377 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000073995446 401727127 /nfs/dbraw/zinc/72/71/27/401727127.db2.gz GJXAKBFURVVJQS-OCCSQVGLSA-N 0 3 303.362 2.212 20 5 DEBDHN Cc1c([C@@H](C)N[C@H](C)CCS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000127287728 401727621 /nfs/dbraw/zinc/72/76/21/401727621.db2.gz MFZUYGHVXAKGKI-ZYHUDNBSSA-N 0 3 314.407 2.377 20 5 DEBDHN CCN(CC)CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000129521520 401805325 /nfs/dbraw/zinc/80/53/25/401805325.db2.gz KSZGNNJWJHMWJL-UHFFFAOYSA-N 0 3 305.378 2.428 20 5 DEBDHN Cc1ccc(C(=O)N(C)C[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000115436540 401827913 /nfs/dbraw/zinc/82/79/13/401827913.db2.gz CCJWXPFCFSWXFB-CYBMUJFWSA-N 0 3 305.378 2.317 20 5 DEBDHN C[C@@H]1CCCN(CCNC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000087116732 401927841 /nfs/dbraw/zinc/92/78/41/401927841.db2.gz OGSNRJBLCVPDDR-CQSZACIVSA-N 0 3 319.405 2.376 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])cc1CNCC(C)(C)C(=O)OC ZINC000119557491 401958957 /nfs/dbraw/zinc/95/89/57/401958957.db2.gz VOQNUUDZMAVVEH-UHFFFAOYSA-N 0 3 310.350 2.282 20 5 DEBDHN Cc1c(CC(=O)NC[C@@H](C)N(C)C2CC2)cccc1[N+](=O)[O-] ZINC000119715421 401964209 /nfs/dbraw/zinc/96/42/09/401964209.db2.gz BURCZXPBHQTYGK-LLVKDONJSA-N 0 3 305.378 2.045 20 5 DEBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000136968497 401976879 /nfs/dbraw/zinc/97/68/79/401976879.db2.gz GUYDVYDIUMPLCE-BBRMVZONSA-N 0 3 316.361 2.231 20 5 DEBDHN Cc1ccc([C@@H](C)NCCCN2CCOCC2)cc1[N+](=O)[O-] ZINC000120537966 401993378 /nfs/dbraw/zinc/99/33/78/401993378.db2.gz FNYKHWFDRMTLBD-CQSZACIVSA-N 0 3 307.394 2.276 20 5 DEBDHN O=[N+]([O-])c1ccc(OCCCN2CCN(CC3CC3)CC2)cc1 ZINC000055904696 402087198 /nfs/dbraw/zinc/08/71/98/402087198.db2.gz BJOXHLKOJGDVNS-UHFFFAOYSA-N 0 3 319.405 2.391 20 5 DEBDHN C[C@H](CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1)N(C)C1CC1 ZINC000057719554 402096775 /nfs/dbraw/zinc/09/67/75/402096775.db2.gz KDTBNCMTKMFZCI-UVMWJGKXSA-N 0 3 303.362 2.207 20 5 DEBDHN CC(C)N(CCN(C)C)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000151949625 402067799 /nfs/dbraw/zinc/06/77/99/402067799.db2.gz RKVLNIABQHNGHF-UHFFFAOYSA-N 0 3 307.394 2.326 20 5 DEBDHN Cc1ccc([C@@H](C)NC[C@H](C)N2CCOCC2)cc1[N+](=O)[O-] ZINC000123346514 402123524 /nfs/dbraw/zinc/12/35/24/402123524.db2.gz KMTNFEYKMPIFLJ-UONOGXRCSA-N 0 3 307.394 2.275 20 5 DEBDHN COc1cc(C(=O)NCCN2CCCCCC2)ccc1[N+](=O)[O-] ZINC000101639646 402152094 /nfs/dbraw/zinc/15/20/94/402152094.db2.gz SUACEBQPOSUBKK-UHFFFAOYSA-N 0 3 321.377 2.209 20 5 DEBDHN CC(C)(C)CN(CCCO)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154156547 402195943 /nfs/dbraw/zinc/19/59/43/402195943.db2.gz ZKVXHIRAKXCHAU-HNNXBMFYSA-N 0 3 310.394 2.359 20 5 DEBDHN Cc1ccc(NC(=O)NC[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000108494602 402254771 /nfs/dbraw/zinc/25/47/71/402254771.db2.gz DBGAZEHWHFTBEG-LBPRGKRZSA-N 0 3 306.366 2.367 20 5 DEBDHN CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CCN(C)CC1 ZINC000070192643 402258324 /nfs/dbraw/zinc/25/83/24/402258324.db2.gz FGHUPZWBEDYGKB-UHFFFAOYSA-N 0 3 311.769 2.414 20 5 DEBDHN COC(=O)c1ccc(OCCN2CCCCC2)c([N+](=O)[O-])c1 ZINC000071816967 402280435 /nfs/dbraw/zinc/28/04/35/402280435.db2.gz JYEQAZXXZZKBRT-UHFFFAOYSA-N 0 3 308.334 2.246 20 5 DEBDHN Cc1cccc(OCCN(C)CCn2ccc([N+](=O)[O-])n2)c1 ZINC000176198862 402289263 /nfs/dbraw/zinc/28/92/63/402289263.db2.gz MPOCLLWIGLWHKI-UHFFFAOYSA-N 0 3 304.350 2.111 20 5 DEBDHN COc1ccc([C@@H](C)N(C)CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000176202818 402289990 /nfs/dbraw/zinc/28/99/90/402289990.db2.gz LKNXIGDHIVOTFP-GFCCVEGCSA-N 0 3 304.350 2.493 20 5 DEBDHN CCN1CCC[C@H]1CN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000159123543 402318120 /nfs/dbraw/zinc/31/81/20/402318120.db2.gz KHYKUUGOJPBHEZ-AWEZNQCLSA-N 0 3 323.368 2.219 20 5 DEBDHN C[C@H]1C[C@@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000177105537 402370646 /nfs/dbraw/zinc/37/06/46/402370646.db2.gz KDQPLCZIJVUKFS-VNCGOTGNSA-N 0 3 315.373 2.349 20 5 DEBDHN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCCN1 ZINC000178539725 402509270 /nfs/dbraw/zinc/50/92/70/402509270.db2.gz ZALAEOIMNAVASA-OAHLLOKOSA-N 0 3 305.378 2.176 20 5 DEBDHN CSc1cccc(C(=O)N(C)CCN(C)C2CC2)c1[N+](=O)[O-] ZINC000188420400 402520137 /nfs/dbraw/zinc/52/01/37/402520137.db2.gz BGLFXYHXHNTVOI-UHFFFAOYSA-N 0 3 323.418 2.483 20 5 DEBDHN C[C@H](NC(=O)NC[C@H]1CCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000171755320 402618599 /nfs/dbraw/zinc/61/85/99/402618599.db2.gz AWCSLIDQTAZBNS-QWHCGFSZSA-N 0 3 320.393 2.297 20 5 DEBDHN C[C@@H](NC(=O)NC[C@H]1CCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000171755321 402618627 /nfs/dbraw/zinc/61/86/27/402618627.db2.gz AWCSLIDQTAZBNS-CHWSQXEVSA-N 0 3 320.393 2.297 20 5 DEBDHN COC(=O)C[C@@H]1CCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000179152962 402576379 /nfs/dbraw/zinc/57/63/79/402576379.db2.gz NGXFXZJRAJAZOT-ZDUSSCGKSA-N 0 3 308.334 2.001 20 5 DEBDHN CN(C)CCN(C(=O)Cc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000173708283 402709594 /nfs/dbraw/zinc/70/95/94/402709594.db2.gz AMYBFUKGNCYLCW-UHFFFAOYSA-N 0 3 319.405 2.470 20 5 DEBDHN CN1C[C@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCC1=O ZINC000192883554 402755037 /nfs/dbraw/zinc/75/50/37/402755037.db2.gz BJPMJNDSADCUEJ-IUODEOHRSA-N 0 3 303.362 2.183 20 5 DEBDHN O=[N+]([O-])c1ccc(CCN2CCOCC3(CCOCC3)C2)cc1 ZINC000184111896 402818953 /nfs/dbraw/zinc/81/89/53/402818953.db2.gz JLAGKKALOSCCPL-UHFFFAOYSA-N 0 3 320.389 2.266 20 5 DEBDHN COc1cc(C[NH2+]CCc2ccc(O)cc2)c([N+](=O)[O-])cc1[O-] ZINC000263647621 402786694 /nfs/dbraw/zinc/78/66/94/402786694.db2.gz CIAPLOIQBHAIIL-UHFFFAOYSA-N 0 3 318.329 2.347 20 5 DEBDHN O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@H](N2CCCCC2)C1 ZINC000264558475 402889441 /nfs/dbraw/zinc/88/94/41/402889441.db2.gz FETNAXFCWRDLOP-ZDUSSCGKSA-N 0 3 321.352 2.434 20 5 DEBDHN CN(C)C(=O)CCN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279122538 402906473 /nfs/dbraw/zinc/90/64/73/402906473.db2.gz QEJQRWJKRUFUEK-AWEZNQCLSA-N 0 3 305.378 2.385 20 5 DEBDHN CN(C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)C1CCN(C)CC1 ZINC000265742928 402945158 /nfs/dbraw/zinc/94/51/58/402945158.db2.gz WPVVIZPANBKKFN-UHFFFAOYSA-N 0 3 319.405 2.425 20 5 DEBDHN O=[N+]([O-])c1ccn(CCN2CC[C@H](COc3ccccc3)C2)n1 ZINC000272515642 402946860 /nfs/dbraw/zinc/94/68/60/402946860.db2.gz GUCDCIUNDUXPEA-AWEZNQCLSA-N 0 3 316.361 2.192 20 5 DEBDHN CCN1CCC[C@H]1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000265772863 402948509 /nfs/dbraw/zinc/94/85/09/402948509.db2.gz IJEUFMVSIGPTDA-HNNXBMFYSA-N 0 3 319.405 2.473 20 5 DEBDHN CN1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H]2C1 ZINC000272255886 402915344 /nfs/dbraw/zinc/91/53/44/402915344.db2.gz ZEPAYNHQSOTSRY-QMTHXVAHSA-N 0 3 306.322 2.033 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1N1CCN(C2CCOCC2)CC1 ZINC000267069120 403012630 /nfs/dbraw/zinc/01/26/30/403012630.db2.gz QLBXVMLIVRWNQQ-UHFFFAOYSA-N 0 3 305.378 2.204 20 5 DEBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000268189597 403059916 /nfs/dbraw/zinc/05/99/16/403059916.db2.gz MRAHVAMNULYQLU-YMTOWFKASA-N 0 3 323.780 2.461 20 5 DEBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@H](CO)COC ZINC000281170323 403059945 /nfs/dbraw/zinc/05/99/45/403059945.db2.gz PTWROPDJWZQSHL-NWDGAFQWSA-N 0 3 314.407 2.062 20 5 DEBDHN CN(CCN(C)C1CC1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000274532337 403064846 /nfs/dbraw/zinc/06/48/46/403064846.db2.gz BRNRZTARZFFIOG-BJMVGYQFSA-N 0 3 303.362 2.161 20 5 DEBDHN Cc1c(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000268238857 403065184 /nfs/dbraw/zinc/06/51/84/403065184.db2.gz OLPWAEQSHQRFQI-QMTHXVAHSA-N 0 3 303.362 2.116 20 5 DEBDHN CN1CCN(CCNc2ccc(F)cc2[N+](=O)[O-])CC1(C)C ZINC000281727052 403085810 /nfs/dbraw/zinc/08/58/10/403085810.db2.gz VYHCAJQOLGRZBQ-UHFFFAOYSA-N 0 3 310.373 2.172 20 5 DEBDHN CC1(C)[C@H](C(F)(F)F)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000276124087 403147505 /nfs/dbraw/zinc/14/75/05/403147505.db2.gz CBTRJZKZJAGXEP-SECBINFHSA-N 0 3 306.288 2.454 20 5 DEBDHN CS[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2C)C[C@H]1N(C)C ZINC000270625208 403206626 /nfs/dbraw/zinc/20/66/26/403206626.db2.gz FGPOXFSLVIYCTH-HUUCEWRRSA-N 0 3 309.435 2.381 20 5 DEBDHN CC[C@H](C(=O)NCCc1cccc([N+](=O)[O-])c1)N(CC)CC ZINC000270778195 403223318 /nfs/dbraw/zinc/22/33/18/403223318.db2.gz QMKMIGWROWALPY-OAHLLOKOSA-N 0 3 307.394 2.374 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000277547718 403229791 /nfs/dbraw/zinc/22/97/91/403229791.db2.gz IMPKBXQXJVBQMX-GFCCVEGCSA-N 0 3 321.377 2.017 20 5 DEBDHN Cc1cc(C(=O)N2CC[C@@]3(CCN(C)C3)C2)ccc1[N+](=O)[O-] ZINC000292138673 403303371 /nfs/dbraw/zinc/30/33/71/403303371.db2.gz HRWXHCSBQNZPNP-MRXNPFEDSA-N 0 3 303.362 2.071 20 5 DEBDHN C[C@@H](O)[C@@H]1C[C@H](C)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000331285259 403369427 /nfs/dbraw/zinc/36/94/27/403369427.db2.gz LKYLFDWISSQNJA-IOASZLSFSA-N 0 3 308.378 2.455 20 5 DEBDHN C[C@H](O)[C@@H]1C[C@H](C)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000331285260 403369664 /nfs/dbraw/zinc/36/96/64/403369664.db2.gz LKYLFDWISSQNJA-WWGRRREGSA-N 0 3 308.378 2.455 20 5 DEBDHN COc1ccc(OCCN2C[C@H](C)N(C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000339620928 403394766 /nfs/dbraw/zinc/39/47/66/403394766.db2.gz YJHOMNYRGWLYDL-STQMWFEESA-N 0 3 323.393 2.007 20 5 DEBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000285873484 403400486 /nfs/dbraw/zinc/40/04/86/403400486.db2.gz QLRGGTGUSNETKR-WFASDCNBSA-N 0 3 303.362 2.294 20 5 DEBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000285873474 403400536 /nfs/dbraw/zinc/40/05/36/403400536.db2.gz QLRGGTGUSNETKR-DOMZBBRYSA-N 0 3 303.362 2.294 20 5 DEBDHN COc1ccc(CNCC2([C@@H](O)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000345698692 403442186 /nfs/dbraw/zinc/44/21/86/403442186.db2.gz HFIWPKVHVDHYHT-HNNXBMFYSA-N 0 3 308.378 2.490 20 5 DEBDHN CCOc1ccc(C(=O)N(C)CCN2CCCC2)cc1[N+](=O)[O-] ZINC000343470628 403603792 /nfs/dbraw/zinc/60/37/92/403603792.db2.gz LMHWDCWBWDTTCX-UHFFFAOYSA-N 0 3 321.377 2.161 20 5 DEBDHN Cc1c(CN[C@@H](C)C(C)(C)n2cncn2)cccc1[N+](=O)[O-] ZINC000340507175 403631737 /nfs/dbraw/zinc/63/17/37/403631737.db2.gz MVGMYVOUIKFWCG-LBPRGKRZSA-N 0 3 303.366 2.408 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1NC[C@@H](O)CN1CCC(C)CC1 ZINC000301522347 403641164 /nfs/dbraw/zinc/64/11/64/403641164.db2.gz GIFOASJABTWGMI-CQSZACIVSA-N 0 3 307.394 2.408 20 5 DEBDHN CCCN1CCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000343633612 403671678 /nfs/dbraw/zinc/67/16/78/403671678.db2.gz UIZKYIFJEIQXFC-GFCCVEGCSA-N 0 3 321.377 2.208 20 5 DEBDHN Cc1c(C(=O)N2CC[C@]3(C2)CCCN(C)C3)cccc1[N+](=O)[O-] ZINC000294218169 403675195 /nfs/dbraw/zinc/67/51/95/403675195.db2.gz QXJRCEOWEQXEKL-QGZVFWFLSA-N 0 3 317.389 2.461 20 5 DEBDHN CN1CCC[C@@]2(CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000294313171 403700822 /nfs/dbraw/zinc/70/08/22/403700822.db2.gz WLJYQWUYZXPJDR-QGZVFWFLSA-N 0 3 317.389 2.082 20 5 DEBDHN CC[C@H](NCCN1C[C@H]2CC[C@@H](C1)O2)c1cccc([N+](=O)[O-])c1 ZINC000343583022 403649668 /nfs/dbraw/zinc/64/96/68/403649668.db2.gz RITYKBPPTMWIRN-BBWFWOEESA-N 0 3 319.405 2.499 20 5 DEBDHN CN(C)CCN(Cc1ccco1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000295055842 403745752 /nfs/dbraw/zinc/74/57/52/403745752.db2.gz GWIVOQGEOAZNFL-UHFFFAOYSA-N 0 3 311.382 2.005 20 5 DEBDHN CCCN1CCC[C@@H]1CNc1ncc(C(=O)OC)cc1[N+](=O)[O-] ZINC000343965324 403810925 /nfs/dbraw/zinc/81/09/25/403810925.db2.gz NHDGOLFQJLROTJ-GFCCVEGCSA-N 0 3 322.365 2.063 20 5 DEBDHN CCCN1CCC[C@H]1CNc1nc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000343913070 403789209 /nfs/dbraw/zinc/78/92/09/403789209.db2.gz NFBYJTFYZJPMRE-NSHDSACASA-N 0 3 322.365 2.063 20 5 DEBDHN CCN1CCCC[C@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000347773163 403860379 /nfs/dbraw/zinc/86/03/79/403860379.db2.gz GOLVZYHSFMMKNX-ZDUSSCGKSA-N 0 3 309.341 2.338 20 5 DEBDHN CNc1ccc(C(=O)N(C)CC2(N(C)C)CCC2)cc1[N+](=O)[O-] ZINC000322833530 404087050 /nfs/dbraw/zinc/08/70/50/404087050.db2.gz OBKCXZVFOFDMGY-UHFFFAOYSA-N 0 3 320.393 2.193 20 5 DEBDHN CC1(C)[C@H](NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]2CCO[C@H]21 ZINC000296120778 404102667 /nfs/dbraw/zinc/10/26/67/404102667.db2.gz IRAYIISXTWAWTI-IACUBPJLSA-N 0 3 321.333 2.406 20 5 DEBDHN COCC[C@@H](CO)NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000341562497 404036505 /nfs/dbraw/zinc/03/65/05/404036505.db2.gz IQEMUJYPDXAUOF-LBPRGKRZSA-N 0 3 320.345 2.342 20 5 DEBDHN COc1ccc(OCCN2CCC[C@@H](CO)[C@H]2C)c([N+](=O)[O-])c1 ZINC000412084195 404119588 /nfs/dbraw/zinc/11/95/88/404119588.db2.gz NOAPJNFABODCQL-OLZOCXBDSA-N 0 3 324.377 2.075 20 5 DEBDHN Cc1ccc(CN2CC[C@@H](C(=O)N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000290313795 404120617 /nfs/dbraw/zinc/12/06/17/404120617.db2.gz CJKZLDBPDKKKMO-OAHLLOKOSA-N 0 3 317.389 2.348 20 5 DEBDHN C[C@H]1CCN(C)CCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000342143098 404397280 /nfs/dbraw/zinc/39/72/80/404397280.db2.gz VRKMAJJNYYTOCO-VIFPVBQESA-N 0 3 307.379 2.130 20 5 DEBDHN Cc1cc(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n(C)n1 ZINC000342571881 404657564 /nfs/dbraw/zinc/65/75/64/404657564.db2.gz FCAOGHXQNMAMFB-KBPBESRZSA-N 0 3 318.381 2.107 20 5 DEBDHN CCN1C[C@H](C)N(CCOc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000330586786 404693868 /nfs/dbraw/zinc/69/38/68/404693868.db2.gz SRIMFUJZZMMQNN-KGLIPLIRSA-N 0 3 307.394 2.388 20 5 DEBDHN COCCNCCNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414891934 404760428 /nfs/dbraw/zinc/76/04/28/404760428.db2.gz WNUUZZNLLDJIEC-UHFFFAOYSA-N 0 3 319.361 2.180 20 5 DEBDHN CN(C)CCN(C(=O)CCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000356892078 404718739 /nfs/dbraw/zinc/71/87/39/404718739.db2.gz GWLVUDMVGXRBJB-UHFFFAOYSA-N 0 3 305.378 2.080 20 5 DEBDHN CCOc1cc(CN2CC[C@](O)(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000366917826 404870481 /nfs/dbraw/zinc/87/04/81/404870481.db2.gz QTHJLUSAQXRMBJ-MRXNPFEDSA-N 0 3 306.362 2.340 20 5 DEBDHN COC[C@@H]1CCCCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000452044612 405138545 /nfs/dbraw/zinc/13/85/45/405138545.db2.gz WHIAQSMJJVNRIR-ZDUSSCGKSA-N 0 3 321.377 2.424 20 5 DEBDHN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCN2CCC[C@H]2C1 ZINC000408276437 405159758 /nfs/dbraw/zinc/15/97/58/405159758.db2.gz IVUMSYAVFWNKRN-LBPRGKRZSA-N 0 3 308.313 2.046 20 5 DEBDHN CC(C)CN1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000439683109 405288451 /nfs/dbraw/zinc/28/84/51/405288451.db2.gz GCMNVOYJJVAFEW-CYBMUJFWSA-N 0 3 322.409 2.174 20 5 DEBDHN Cc1cc(N2CCN[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420188627 405293249 /nfs/dbraw/zinc/29/32/49/405293249.db2.gz FPFHHHCYIZLDAO-LBPRGKRZSA-N 0 3 313.361 2.158 20 5 DEBDHN CN(CCCNC(=O)C1CCC1)Cc1cccc([N+](=O)[O-])c1 ZINC000429551990 405436258 /nfs/dbraw/zinc/43/62/58/405436258.db2.gz WLLSXDVTWQDSPC-UHFFFAOYSA-N 0 3 305.378 2.333 20 5 DEBDHN Cc1ccc(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000577632171 405485707 /nfs/dbraw/zinc/48/57/07/405485707.db2.gz VWGHVIZKCOWSLE-INIZCTEOSA-N 0 3 316.357 2.433 20 5 DEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](C)C(=O)NC(C)(C)C ZINC000449099785 405518237 /nfs/dbraw/zinc/51/82/37/405518237.db2.gz UXWRBRYASVUDLS-NEPJUHHUSA-N 0 3 307.394 2.419 20 5 DEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCc1n[nH]c(C2CC2)n1 ZINC000449407365 405550558 /nfs/dbraw/zinc/55/05/58/405550558.db2.gz HDPPBLSSDXZEQY-JTQLQIEISA-N 0 3 301.350 2.311 20 5 DEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1nnc(C2CC2)[n-]1 ZINC000449407365 405550560 /nfs/dbraw/zinc/55/05/60/405550560.db2.gz HDPPBLSSDXZEQY-JTQLQIEISA-N 0 3 301.350 2.311 20 5 DEBDHN CCN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421739990 405621759 /nfs/dbraw/zinc/62/17/59/405621759.db2.gz GIEZQKFTTQIBHP-CYBMUJFWSA-N 0 3 305.378 2.426 20 5 DEBDHN CN(C(=O)C(C)(C)c1ccccc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000431251942 405598316 /nfs/dbraw/zinc/59/83/16/405598316.db2.gz WYXPZHRNKRFRFM-UHFFFAOYSA-N 0 3 319.405 2.425 20 5 DEBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CCCN(C(C)(C)C)CC1 ZINC000558006914 405639186 /nfs/dbraw/zinc/63/91/86/405639186.db2.gz NROXXYMPSRKKDI-UHFFFAOYSA-N 0 3 309.414 2.430 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000421772936 405639653 /nfs/dbraw/zinc/63/96/53/405639653.db2.gz HVEJRBJGHHNILV-STQMWFEESA-N 0 3 305.378 2.424 20 5 DEBDHN CC(C)c1ccc(CNCCN2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000449646544 405657982 /nfs/dbraw/zinc/65/79/82/405657982.db2.gz NOIIGKRRIJGNDO-UHFFFAOYSA-N 0 3 321.421 2.265 20 5 DEBDHN CNC(=O)C[C@H](C)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000449604793 405637763 /nfs/dbraw/zinc/63/77/63/405637763.db2.gz UUFLXZAXEWVVHX-NSHDSACASA-N 0 3 317.345 2.469 20 5 DEBDHN CC(C)N1CC[C@@H](N(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000457141566 405721221 /nfs/dbraw/zinc/72/12/21/405721221.db2.gz ZKEINUXKRQFIDS-CYBMUJFWSA-N 0 3 309.341 2.289 20 5 DEBDHN O=[N+]([O-])c1cccc(CN2CCC[C@H](N3CCOCC3)CC2)c1 ZINC000559758080 405752422 /nfs/dbraw/zinc/75/24/22/405752422.db2.gz DFIMWNMATFGLNP-INIZCTEOSA-N 0 3 319.405 2.282 20 5 DEBDHN CN(C)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cn2C)c(F)c1 ZINC000568843422 292371021 /nfs/dbraw/zinc/37/10/21/292371021.db2.gz ARBKQOYNWPXWOO-UHFFFAOYSA-N 0 3 320.324 2.386 20 5 DEBDHN COC(=O)COc1ccc(CN2C[C@H](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000475723930 406147790 /nfs/dbraw/zinc/14/77/90/406147790.db2.gz HDKZLMCMWZNMGS-VXGBXAGGSA-N 0 3 322.361 2.377 20 5 DEBDHN C[C@@H](C(=O)NC1(CN(C)C)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000545959762 406338987 /nfs/dbraw/zinc/33/89/87/406338987.db2.gz RHKJXOPNWLKEQW-GFCCVEGCSA-N 0 3 305.378 2.299 20 5 DEBDHN Cn1cc(C(C)(C)NCCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000545293296 406311555 /nfs/dbraw/zinc/31/15/55/406311555.db2.gz VFPIHEDMEOAMRK-UHFFFAOYSA-N 0 3 304.350 2.232 20 5 DEBDHN C[C@H]1CN(c2nc3sccn3c2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000571630424 406543947 /nfs/dbraw/zinc/54/39/47/406543947.db2.gz RGMODRYYTKRVJW-SNVBAGLBSA-N 0 3 321.406 2.225 20 5 DEBDHN CCN1CCC(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000491237984 406551508 /nfs/dbraw/zinc/55/15/08/406551508.db2.gz ULYKOICRJDGWHL-YVMONPNESA-N 0 3 303.362 2.209 20 5 DEBDHN CN(C)C1CN(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000270711980 268685778 /nfs/dbraw/zinc/68/57/78/268685778.db2.gz CZQYOEOXLMPEIT-UHFFFAOYSA-N 0 3 300.156 2.108 20 5 DEBDHN O=[N+]([O-])c1cnc(NCC2(N3CCCC3)CCOCC2)s1 ZINC000443520058 269139144 /nfs/dbraw/zinc/13/91/44/269139144.db2.gz XWSFVNZPWUANRB-UHFFFAOYSA-N 0 3 312.395 2.108 20 5 DEBDHN CCCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000496422691 269218885 /nfs/dbraw/zinc/21/88/85/269218885.db2.gz XOJKELNTJGWKLH-QWRGUYRKSA-N 0 3 318.370 2.230 20 5 DEBDHN CCOC(=O)N1CC[C@@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000496596111 269234034 /nfs/dbraw/zinc/23/40/34/269234034.db2.gz OATZSYMWIZYXDG-BXUZGUMPSA-N 0 3 319.361 2.403 20 5 DEBDHN CC(C)N(CCC(=O)OCC(C)[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000497018326 269277557 /nfs/dbraw/zinc/27/75/57/269277557.db2.gz PYOTWPRMHZTAII-LLVKDONJSA-N 0 3 318.370 2.230 20 5 DEBDHN COCCN1[C@H](C)CN(c2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1C ZINC000301760931 274034665 /nfs/dbraw/zinc/03/46/65/274034665.db2.gz CNICMPXPIOGRNG-OKILXGFUSA-N 0 3 307.394 2.449 20 5 DEBDHN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)C12CCCN1CCC2 ZINC000285739035 275001492 /nfs/dbraw/zinc/00/14/92/275001492.db2.gz KTMGAJGTSPRBNF-UHFFFAOYSA-N 0 3 315.333 2.038 20 5 DEBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CC[C@H]3CCCO3)C2)nc1 ZINC000249301540 275037178 /nfs/dbraw/zinc/03/71/78/275037178.db2.gz NRUSXUMPWZZOTF-TZMCWYRMSA-N 0 3 306.366 2.045 20 5 DEBDHN O=[N+]([O-])c1cccc(N2CCN(CC[C@@H]3CCCO3)CC2)c1 ZINC000188737674 275039461 /nfs/dbraw/zinc/03/94/61/275039461.db2.gz NFRPMYBSXNHFFP-INIZCTEOSA-N 0 3 305.378 2.286 20 5 DEBDHN CN1C[C@@H](N[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1=O ZINC000279013194 277194649 /nfs/dbraw/zinc/19/46/49/277194649.db2.gz HBZFFQKEPBWVSC-HZMBPMFUSA-N 0 3 303.362 2.138 20 5 DEBDHN CN1C[C@H](N[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1=O ZINC000279013200 277205080 /nfs/dbraw/zinc/20/50/80/277205080.db2.gz HBZFFQKEPBWVSC-YGRLFVJLSA-N 0 3 303.362 2.138 20 5 DEBDHN C[C@@H](NC[C@@H]1CCCS(=O)(=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000287041390 278350793 /nfs/dbraw/zinc/35/07/93/278350793.db2.gz MIBLFNZXIBXXDR-NEPJUHHUSA-N 0 3 312.391 2.070 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000295534517 281256798 /nfs/dbraw/zinc/25/67/98/281256798.db2.gz KAONLAYYUWMVSD-LBPRGKRZSA-N 0 3 317.389 2.460 20 5 DEBDHN O=[N+]([O-])c1cccc(CNC[C@@H](O)COc2ccccc2)c1 ZINC000378905889 333062328 /nfs/dbraw/zinc/06/23/28/333062328.db2.gz LKEAYAULNMXNGJ-OAHLLOKOSA-N 0 3 302.330 2.124 20 5 DEBDHN Cc1c(NC(=O)CCN2CC[C@H](O)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000429139813 533899886 /nfs/dbraw/zinc/89/98/86/533899886.db2.gz YDCALXIIUARMHU-AAEUAGOBSA-N 0 3 321.377 2.077 20 5 DEBDHN C[C@H](CO[C@@H]1CCOC1)N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294946571 534134423 /nfs/dbraw/zinc/13/44/23/534134423.db2.gz YFMZFKYZKDPRGI-NQBHXWOUSA-N 0 3 309.366 2.022 20 5 DEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@H](C)C(=O)NCCF ZINC000337280526 518414584 /nfs/dbraw/zinc/41/45/84/518414584.db2.gz HFHGSTWDLVIJMJ-NXIHDVOMSA-N 0 3 309.341 2.062 20 5 DEBDHN CCCCN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000112311467 520406027 /nfs/dbraw/zinc/40/60/27/520406027.db2.gz XEQBMOISNDOVFL-UHFFFAOYSA-N 0 3 309.366 2.065 20 5 DEBDHN CC(=O)N1CC[C@@H](CN(C)C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255672119 534807590 /nfs/dbraw/zinc/80/75/90/534807590.db2.gz HQPFJIWRPSIPMQ-PKYBCLHXSA-N 0 3 317.389 2.408 20 5 DEBDHN CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@]2(CCN(C)C2)C1 ZINC000368304611 534879812 /nfs/dbraw/zinc/87/98/12/534879812.db2.gz OKGLZLUDQCNBOO-INIZCTEOSA-N 0 3 303.362 2.329 20 5 DEBDHN CCC[C@@H](O)[C@H](CO)NCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000419835712 529075648 /nfs/dbraw/zinc/07/56/48/529075648.db2.gz YRMPPOBUMSSTMB-GOEBONIOSA-N 0 3 310.394 2.330 20 5 DEBDHN CC(C)CC[C@H](O)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373597141 534946804 /nfs/dbraw/zinc/94/68/04/534946804.db2.gz UDHKLDCQTGNIST-AWEZNQCLSA-N 0 3 310.398 2.225 20 5 DEBDHN CNC(=O)[C@@H]1CCC[C@@H]1N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000358236178 536363868 /nfs/dbraw/zinc/36/38/68/536363868.db2.gz ABZSGIGODZFAMZ-BNOWGMLFSA-N 0 3 305.378 2.469 20 5 DEBDHN CN1CC[C@@H]2CCN(C(=O)/C=C\c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000492380763 536460829 /nfs/dbraw/zinc/46/08/29/536460829.db2.gz QTFFVQIRTNQXDQ-ZRBYZBAOSA-N 0 3 315.373 2.161 20 5 DEBDHN COC(=O)[C@@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000933174760 624113287 /nfs/dbraw/zinc/11/32/87/624113287.db2.gz ZOQOPQVWBFZQOQ-TZMCWYRMSA-N 0 3 306.362 2.411 20 5 DEBDHN CC[N@@H+](Cc1ccc([O-])c(OC)c1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000891660008 624519658 /nfs/dbraw/zinc/51/96/58/624519658.db2.gz MBJRXIBJVJNPPC-LLVKDONJSA-N 0 3 310.350 2.167 20 5 DEBDHN CC[N@H+](Cc1ccc([O-])c(OC)c1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000891660008 624519660 /nfs/dbraw/zinc/51/96/60/624519660.db2.gz MBJRXIBJVJNPPC-LLVKDONJSA-N 0 3 310.350 2.167 20 5 DEBDHN CCN1CCC[C@@H]1CNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000176705498 624919942 /nfs/dbraw/zinc/91/99/42/624919942.db2.gz ZTVPTRUIVNDGJO-GFCCVEGCSA-N 0 3 309.341 2.256 20 5 DEBDHN COc1c(O)ccc(CN[C@@H]2C[C@H](OC)C2(C)C)c1[N+](=O)[O-] ZINC000893096130 625107550 /nfs/dbraw/zinc/10/75/50/625107550.db2.gz CQDUPZQRQNTSNI-NEPJUHHUSA-N 0 3 310.350 2.212 20 5 DEBDHN COc1c([O-])ccc(C[NH2+][C@@H]2C[C@H](OC)C2(C)C)c1[N+](=O)[O-] ZINC000893096130 625107551 /nfs/dbraw/zinc/10/75/51/625107551.db2.gz CQDUPZQRQNTSNI-NEPJUHHUSA-N 0 3 310.350 2.212 20 5 DEBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1Nc1c([N+](=O)[O-])cnn1C ZINC000893194950 625218683 /nfs/dbraw/zinc/21/86/83/625218683.db2.gz OHXQNIZCQXZWBG-OCCSQVGLSA-N 0 3 315.377 2.261 20 5 DEBDHN COc1c([O-])ccc(CN(C)CCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000894231242 636510533 /nfs/dbraw/zinc/51/05/33/636510533.db2.gz MRUHQHMVGODKIH-UHFFFAOYSA-N 0 3 323.393 2.227 20 5 DEBDHN COC[C@H](C[NH2+]Cc1cc(OC)c([O-])cc1[N+](=O)[O-])C(C)C ZINC000922949330 636878467 /nfs/dbraw/zinc/87/84/67/636878467.db2.gz DUIHCAIRBFTSKM-LBPRGKRZSA-N 0 3 312.366 2.317 20 5 DEBDHN CC(C)Oc1cc(C(=O)N[C@H]2CCN(C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000928432203 637192191 /nfs/dbraw/zinc/19/21/91/637192191.db2.gz QIEXYQXHGHOOFQ-AAEUAGOBSA-N 0 3 321.377 2.204 20 5 DEBDHN CN1CCC[C@H]2[C@H]1CCN2c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000895092286 637542413 /nfs/dbraw/zinc/54/24/13/637542413.db2.gz OVPIITXKZIQIPY-KGLIPLIRSA-N 0 3 306.322 2.176 20 5 DEBDHN CN1CCC[C@H]2[C@@H]1CCN2c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000895092285 637542512 /nfs/dbraw/zinc/54/25/12/637542512.db2.gz OVPIITXKZIQIPY-KBPBESRZSA-N 0 3 306.322 2.176 20 5 DEBDHN O=[N+]([O-])c1ccc(Cl)c(CN[C@@H]2CNCCC2(F)F)c1 ZINC000841073968 650422968 /nfs/dbraw/zinc/42/29/68/650422968.db2.gz AQMOARYYRFHLNF-LLVKDONJSA-N 0 3 305.712 2.335 20 5 DEBDHN O=[N+]([O-])c1ccccc1/C=C\CN1CC[C@@H](C2OCCO2)C1 ZINC000896384208 638495995 /nfs/dbraw/zinc/49/59/95/638495995.db2.gz JMOQNWKODITSDP-PKXJPQMGSA-N 0 3 304.346 2.303 20 5 DEBDHN Cc1nn(C)cc1[C@H](C)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000754135178 639393570 /nfs/dbraw/zinc/39/35/70/639393570.db2.gz FSTQDWFCZLSFLZ-ZUZCIYMTSA-N 0 3 304.350 2.021 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C)N1CCCCC1 ZINC000756447180 639663170 /nfs/dbraw/zinc/66/31/70/639663170.db2.gz NVYYWVXEZBCRPM-LBPRGKRZSA-N 0 3 321.377 2.208 20 5 DEBDHN C[C@@H](NC(=O)N[C@H]1CCN(C)[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000923983526 639721884 /nfs/dbraw/zinc/72/18/84/639721884.db2.gz SJWPECPPZDWMME-WZRBSPASSA-N 0 3 306.366 2.048 20 5 DEBDHN Cc1cc(F)cc(C(=O)N(C)CCN2CCCC2)c1[N+](=O)[O-] ZINC000758474748 639963610 /nfs/dbraw/zinc/96/36/10/639963610.db2.gz XNQLYJLNRPVRHA-UHFFFAOYSA-N 0 3 309.341 2.210 20 5 DEBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC3(CCOC3)CC2)c1 ZINC000761059687 640260431 /nfs/dbraw/zinc/26/04/31/640260431.db2.gz PZVAEDXTWOKOFH-HNNXBMFYSA-N 0 3 306.362 2.131 20 5 DEBDHN C[C@H](CCNCc1ccc([N+](=O)[O-])c(Cl)c1)[S@@](C)=O ZINC000761533497 640322501 /nfs/dbraw/zinc/32/25/01/640322501.db2.gz RAFJTBSXGHEPJK-AYLIAGHASA-N 0 3 304.799 2.495 20 5 DEBDHN O=[N+]([O-])c1ccc([C@H](O)CN[C@H](CO)c2ccsc2)cc1 ZINC000770688996 641408923 /nfs/dbraw/zinc/40/89/23/641408923.db2.gz OYWOZFBBWBMRMW-ZIAGYGMSSA-N 0 3 308.359 2.013 20 5 DEBDHN COC(=O)C[C@]1(NCc2cccc([N+](=O)[O-])c2C)CCCOC1 ZINC000770704618 641410699 /nfs/dbraw/zinc/41/06/99/641410699.db2.gz FWYDGTYEBUDFFX-MRXNPFEDSA-N 0 3 322.361 2.105 20 5 DEBDHN C[C@H](CC[S@](C)=O)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000128160380 641601706 /nfs/dbraw/zinc/60/17/06/641601706.db2.gz AOEYGICBGKNOHD-AYLIAGHASA-N 0 3 304.799 2.495 20 5 DEBDHN C/C(=C\C(=O)N1CCCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000784991972 643191528 /nfs/dbraw/zinc/19/15/28/643191528.db2.gz MZSPONLTPSOZDE-OUKQBFOZSA-N 0 3 303.362 2.162 20 5 DEBDHN Cc1ccc(CNC[C@@H](O)CC2(O)CCCC2)cc1[N+](=O)[O-] ZINC000905405020 643896149 /nfs/dbraw/zinc/89/61/49/643896149.db2.gz NCZFNNZSNGZWER-AWEZNQCLSA-N 0 3 308.378 2.049 20 5 DEBDHN Cc1cnc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000905575611 643957107 /nfs/dbraw/zinc/95/71/07/643957107.db2.gz ITJJGZKFQAFLOR-MRXNPFEDSA-N 0 3 301.346 2.430 20 5 DEBDHN CCN1CCCN(C(=O)c2cccc([N+](=O)[O-])c2OC)[C@H](C)C1 ZINC000910274104 645382414 /nfs/dbraw/zinc/38/24/14/645382414.db2.gz MVAUPXASRITBTH-GFCCVEGCSA-N 0 3 321.377 2.160 20 5 DEBDHN CCN1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000910288148 645391864 /nfs/dbraw/zinc/39/18/64/645391864.db2.gz NLAINCPTRRKGSZ-CYBMUJFWSA-N 0 3 305.378 2.460 20 5 DEBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000843810629 651033555 /nfs/dbraw/zinc/03/35/55/651033555.db2.gz BAXCYUKZQABABK-NEPJUHHUSA-N 0 3 321.352 2.351 20 5 DEBDHN CN1CCC[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000809913008 646299517 /nfs/dbraw/zinc/29/95/17/646299517.db2.gz RQZVANISJQTZME-SECBINFHSA-N 0 3 312.757 2.464 20 5 DEBDHN COc1ccc(C[C@@H](C)C(=O)OCC(C)[N+](=O)[O-])cc1OC ZINC000813105588 646729730 /nfs/dbraw/zinc/72/97/30/646729730.db2.gz PVGXAPZTKXOUAT-GHMZBOCLSA-N 0 3 311.334 2.091 20 5 DEBDHN CC(C)COc1cccc(OCC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813114005 646732399 /nfs/dbraw/zinc/73/23/99/646732399.db2.gz XUFGMGURCAHUJP-LBPRGKRZSA-N 0 3 311.334 2.309 20 5 DEBDHN CN1C[C@H]2CCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000816949738 647203699 /nfs/dbraw/zinc/20/36/99/647203699.db2.gz CSECMTDIXMDUDJ-NOZJJQNGSA-N 0 3 309.753 2.024 20 5 DEBDHN CN1C[C@H]2CCN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])[C@@H]2C1 ZINC000816952957 647204932 /nfs/dbraw/zinc/20/49/32/647204932.db2.gz WLBADUKZJDQVGI-BXKDBHETSA-N 0 3 309.753 2.024 20 5 DEBDHN Cc1ccc(CNC[C@@H](O)COc2ccccc2)cc1[N+](=O)[O-] ZINC000915226128 647498197 /nfs/dbraw/zinc/49/81/97/647498197.db2.gz DGELWVYVQIEPQY-OAHLLOKOSA-N 0 3 316.357 2.433 20 5 DEBDHN CO[C@H]1CC[C@H](N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000821343457 648039483 /nfs/dbraw/zinc/03/94/83/648039483.db2.gz XJKMFJZVZFCCDB-HOTGVXAUSA-N 0 3 305.378 2.284 20 5 DEBDHN Cn1nc(C2CC2)cc1CNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000824080365 648522834 /nfs/dbraw/zinc/52/28/34/648522834.db2.gz DGBCIVKQCSWDDW-INIZCTEOSA-N 0 3 316.361 2.029 20 5 DEBDHN CC[C@@H](C)N1CCN(c2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000829244290 649286767 /nfs/dbraw/zinc/28/67/67/649286767.db2.gz VHJUKKAGXGDCPG-SNVBAGLBSA-N 0 3 305.338 2.052 20 5 DEBDHN CC(C)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CCN1 ZINC000856484910 651940275 /nfs/dbraw/zinc/94/02/75/651940275.db2.gz SBWDOYQZUJPUOV-ZDUSSCGKSA-N 0 3 311.769 2.318 20 5 DEBDHN Cc1cc(F)cc(C(=O)N2CCN[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000856484493 651940482 /nfs/dbraw/zinc/94/04/82/651940482.db2.gz CSGPDKISVPGIFJ-ZDUSSCGKSA-N 0 3 309.341 2.112 20 5 DEBDHN CN(CC1CN(C)C1)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000853553461 652567928 /nfs/dbraw/zinc/56/79/28/652567928.db2.gz OOWVKLYEKPFDJX-UHFFFAOYSA-N 0 3 323.784 2.049 20 5 DEBDHN O=[N+]([O-])c1ccc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001356535899 1152088367 /nfs/dbraw/zinc/08/83/67/1152088367.db2.gz YDMGECBJNLMUCG-HNNXBMFYSA-N 0 3 317.301 2.326 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000929092526 693892928 /nfs/dbraw/zinc/89/29/28/693892928.db2.gz SSXJLRDYBRADLY-LBPRGKRZSA-N 0 3 322.365 2.161 20 5 DEBDHN O=C(NC[C@H]1CCN1C1CCCC1)c1cc([N+](=O)[O-])ccc1F ZINC000863031586 686422184 /nfs/dbraw/zinc/42/21/84/686422184.db2.gz IFKRGGDTXWSQFF-CYBMUJFWSA-N 0 3 321.352 2.481 20 5 DEBDHN Cc1cc(NC(=O)N(C)[C@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000930732344 694228656 /nfs/dbraw/zinc/22/86/56/694228656.db2.gz GWMLEFCGUROSSH-ZDUSSCGKSA-N 0 3 306.366 2.461 20 5 DEBDHN C[C@H](NC[C@H]1CC(=O)N(C2CC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872083175 688924050 /nfs/dbraw/zinc/92/40/50/688924050.db2.gz IJPMAUWKIUUWCN-WDEREUQCSA-N 0 3 321.352 2.395 20 5 DEBDHN CN1CCC[C@H]2[C@@H]1CCN2c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000872778443 689090574 /nfs/dbraw/zinc/09/05/74/689090574.db2.gz HXDHRHZFJHPZJG-RYUDHWBXSA-N 0 3 306.322 2.176 20 5 DEBDHN CCc1nncn1CCNCc1c(C)ccc([N+](=O)[O-])c1C ZINC000873064761 689152119 /nfs/dbraw/zinc/15/21/19/689152119.db2.gz HSXDBSUCRJXOET-UHFFFAOYSA-N 0 3 303.366 2.155 20 5 DEBDHN C[C@H](N[C@H]1CCCS(=O)(=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000873128420 689165376 /nfs/dbraw/zinc/16/53/76/689165376.db2.gz NOKRPUCRQSUJDF-AAEUAGOBSA-N 0 3 312.391 2.213 20 5 DEBDHN Cc1cccc(C(=O)N2CC[C@H]3[C@H]2CCCN3C)c1[N+](=O)[O-] ZINC000874849888 689518994 /nfs/dbraw/zinc/51/89/94/689518994.db2.gz ZPWQDDBGUISRRM-UONOGXRCSA-N 0 3 303.362 2.212 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCN(CC(C)(C)O)CC1 ZINC000876679838 689900337 /nfs/dbraw/zinc/90/03/37/689900337.db2.gz UPJAJZAWVMEUTR-UHFFFAOYSA-N 0 3 321.421 2.100 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN(C)[C@H](C)CN1CCOCC1 ZINC000877485085 690128097 /nfs/dbraw/zinc/12/80/97/690128097.db2.gz KCMDYTNOFODMPK-CQSZACIVSA-N 0 3 321.421 2.364 20 5 DEBDHN CO[C@H]1C[C@@H](CN2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000877949034 690268212 /nfs/dbraw/zinc/26/82/12/690268212.db2.gz SGWJXEYAEIZSQC-OKILXGFUSA-N 0 3 305.378 2.142 20 5 DEBDHN COc1ccc(OCCN[C@@H](C)c2ccnn2C)c([N+](=O)[O-])c1 ZINC000879684986 690705659 /nfs/dbraw/zinc/70/56/59/690705659.db2.gz QYAYXORDFRPJHW-NSHDSACASA-N 0 3 320.349 2.067 20 5 DEBDHN CCN(CCn1c(C)ncc1[N+](=O)[O-])[C@H](CO)c1ccccc1 ZINC000880462656 690904044 /nfs/dbraw/zinc/90/40/44/690904044.db2.gz IEVCVFGYMSEKKB-OAHLLOKOSA-N 0 3 318.377 2.155 20 5 DEBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000931611383 694440008 /nfs/dbraw/zinc/44/00/08/694440008.db2.gz UAPZHCQYCZMSAG-TVQRCGJNSA-N 0 3 322.340 2.338 20 5 DEBDHN COC[C@@H](NCc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCCOC1 ZINC000883185614 691451560 /nfs/dbraw/zinc/45/15/60/691451560.db2.gz AUKQBYYFMXNXDS-IUODEOHRSA-N 0 3 324.377 2.135 20 5 DEBDHN O=[N+]([O-])c1ccccc1N1CCN(C[C@@H]2C[C@@]23CCOC3)CC1 ZINC000885948885 691969428 /nfs/dbraw/zinc/96/94/28/691969428.db2.gz IPGUJXRYPPTIHG-WMLDXEAASA-N 0 3 317.389 2.143 20 5 DEBDHN COC(=O)[C@@H]1CC[C@@H](NCc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000886522052 692100059 /nfs/dbraw/zinc/10/00/59/692100059.db2.gz BCEOULQKVHUGTI-ZYHUDNBSSA-N 0 3 308.334 2.035 20 5 DEBDHN CCOc1cc(NC(=O)N(C)CCN(C)C)ccc1[N+](=O)[O-] ZINC000888832552 692610899 /nfs/dbraw/zinc/61/08/99/692610899.db2.gz IGXQKAYDNNJTHP-UHFFFAOYSA-N 0 3 310.354 2.019 20 5 DEBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CCN2C2CCOCC2)c(F)c1 ZINC000896519321 693002824 /nfs/dbraw/zinc/00/28/24/693002824.db2.gz ULEVILHDOOHIPT-ZDUSSCGKSA-N 0 3 309.341 2.399 20 5 DEBDHN CC(C)S(=O)(=O)CCCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932179645 694568804 /nfs/dbraw/zinc/56/88/04/694568804.db2.gz KHBQMZXKTNLNDY-GFCCVEGCSA-N 0 3 314.407 2.459 20 5 DEBDHN O=C(OCc1cccc([N+](=O)[O-])c1)C1CCCN(C2CC2)C1=O ZINC000924062216 693086428 /nfs/dbraw/zinc/08/64/28/693086428.db2.gz OAGUIXHSDZBQFX-AWEZNQCLSA-N 0 3 318.329 2.039 20 5 DEBDHN CC(=O)N1CC2(C1)CCN(Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001050394518 693171068 /nfs/dbraw/zinc/17/10/68/693171068.db2.gz VRACPFLDRFYPPU-UHFFFAOYSA-N 0 3 303.362 2.039 20 5 DEBDHN CCCN(C)CC(=O)N(CC)CCNc1ccccc1[N+](=O)[O-] ZINC001106809548 782954003 /nfs/dbraw/zinc/95/40/03/782954003.db2.gz YAGCOZXEXTZGCJ-UHFFFAOYSA-N 0 3 322.409 2.197 20 5 DEBDHN COc1nc(C)c(-n2nc(CN)c3ccccc32)cc1[N+](=O)[O-] ZINC001167698438 777891781 /nfs/dbraw/zinc/89/17/81/777891781.db2.gz XESJERFAIZCJPD-UHFFFAOYSA-N 0 3 313.317 2.104 20 5 DEBDHN NCc1cc(-c2ccncc2)nn1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168985056 784985990 /nfs/dbraw/zinc/98/59/90/784985990.db2.gz CLEWVLWCSKCZIJ-YPMHNXCESA-N 0 3 301.350 2.022 20 5 DEBDHN O=[N+]([O-])C[C@@H]1CC[C@H](NCc2ncc(Br)s2)C1 ZINC001169000642 784998145 /nfs/dbraw/zinc/99/81/45/784998145.db2.gz YIZTUIRJFHYWSZ-SFYZADRCSA-N 0 3 320.212 2.441 20 5 DEBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2CCN(Cc3ccccc3F)CC2)C1 ZINC001169028503 785008680 /nfs/dbraw/zinc/00/86/80/785008680.db2.gz SSBOWLSGWOXVTF-HOCLYGCPSA-N 0 3 321.396 2.389 20 5 DEBDHN O=[N+]([O-])C[C@@H]1CC[C@H](n2nc(C(F)(F)F)c3c2CCNC3)C1 ZINC001169038850 785012593 /nfs/dbraw/zinc/01/25/93/785012593.db2.gz KZNMFEWHNQXLDV-BDAKNGLRSA-N 0 3 318.299 2.166 20 5 DEBDHN C[C@@H](N)c1ccn(-c2nc(C3CC3)nc(Cl)c2[N+](=O)[O-])n1 ZINC001169229820 785098343 /nfs/dbraw/zinc/09/83/43/785098343.db2.gz ZPFLDFNTMLPNAW-ZCFIWIBFSA-N 0 3 308.729 2.121 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1C[C@H](F)C[C@@H](CO)C1)CC2 ZINC001172908877 793524955 /nfs/dbraw/zinc/52/49/55/793524955.db2.gz PBYJIYGIJOFNBH-DAXOMENPSA-N 0 3 322.380 2.495 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)NCc2ccncn2)c1F ZINC001173180658 793620407 /nfs/dbraw/zinc/62/04/07/793620407.db2.gz XZHYXRAZLWZJOT-JTQLQIEISA-N 0 3 320.324 2.253 20 5 DEBDHN CCOC(=O)[C@H]1[C@@H]2CN([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC001173230792 793645149 /nfs/dbraw/zinc/64/51/49/793645149.db2.gz GJXLPZPGHUVPCB-DANNLKNASA-N 0 3 318.373 2.267 20 5 DEBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC001122884133 795814854 /nfs/dbraw/zinc/81/48/54/795814854.db2.gz YNTFCSZNGUCMHQ-UHFFFAOYSA-N 0 3 317.320 2.254 20 5 DEBDHN Cc1ccc(-c2ccc(-n3nccc3CN)nn2)cc1[N+](=O)[O-] ZINC001155124009 797689545 /nfs/dbraw/zinc/68/95/45/797689545.db2.gz ADAVNFNXIXZJBY-UHFFFAOYSA-N 0 3 310.317 2.005 20 5 DEBDHN C[C@H](N)c1nc2ccccc2n1-c1nc(Cl)ncc1[N+](=O)[O-] ZINC001155247220 797716343 /nfs/dbraw/zinc/71/63/43/797716343.db2.gz DPDIPVYYPJNGIA-ZETCQYMHSA-N 0 3 318.724 2.397 20 5 DEBDHN Cc1cc(CN)nn1-c1nc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC001156039130 797910086 /nfs/dbraw/zinc/91/00/86/797910086.db2.gz NHTKIGTWKGLIKK-UHFFFAOYSA-N 0 3 302.121 2.249 20 5 DEBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])C1CC=CC1 ZINC001156055747 797914775 /nfs/dbraw/zinc/91/47/75/797914775.db2.gz SOUXQLSANRHIOL-UHFFFAOYSA-N 0 3 303.362 2.157 20 5 DEBDHN CN(C)c1ccncc1CNCCOc1ccc([N+](=O)[O-])cc1 ZINC001200127722 798591166 /nfs/dbraw/zinc/59/11/66/798591166.db2.gz YZMHAYVWKFKWJQ-UHFFFAOYSA-N 0 3 316.361 2.224 20 5 DEBDHN COc1cc(C[NH2+]CC[C@H]2CCCCO2)c([N+](=O)[O-])cc1[O-] ZINC001201634237 798776341 /nfs/dbraw/zinc/77/63/41/798776341.db2.gz PMWCQIMFLLUKKY-GFCCVEGCSA-N 0 3 310.350 2.358 20 5 DEBDHN NCc1cn(-c2ccc(OC(F)(F)F)c([N+](=O)[O-])c2)cn1 ZINC001162302083 799056292 /nfs/dbraw/zinc/05/62/92/799056292.db2.gz KTROPTBQZPREIC-UHFFFAOYSA-N 0 3 302.212 2.138 20 5 DEBDHN Cc1c(CNC(=O)C2(N(C)C)CCCC2)cccc1[N+](=O)[O-] ZINC001154301092 799467684 /nfs/dbraw/zinc/46/76/84/799467684.db2.gz GRVVQHAFZHRNIH-UHFFFAOYSA-N 0 3 305.378 2.394 20 5 DEBDHN CC1(C(=O)NCCCNCc2csc([N+](=O)[O-])c2)CCC1 ZINC001164007187 799479716 /nfs/dbraw/zinc/47/97/16/799479716.db2.gz KISGXVGAGKYAFO-UHFFFAOYSA-N 0 3 311.407 2.442 20 5 DEBDHN CCC1(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])CC1 ZINC001165971370 799805934 /nfs/dbraw/zinc/80/59/34/799805934.db2.gz YXIFMWHVZHGLMD-UHFFFAOYSA-N 0 3 305.378 2.381 20 5 DEBDHN CC1(C)C[C@@H](Oc2[n-]c(=O)nc3ccc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC001218473815 802188652 /nfs/dbraw/zinc/18/86/52/802188652.db2.gz DNXPJDLVHSUFLL-JTQLQIEISA-N 0 3 318.333 2.153 20 5 DEBDHN CCN1CC[C@@H](Oc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC001225896187 803026660 /nfs/dbraw/zinc/02/66/60/803026660.db2.gz DAPPHCVPDBYQHI-SECBINFHSA-N 0 3 305.256 2.482 20 5 DEBDHN CN1CCC[C@@H](Oc2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC001227217375 803217016 /nfs/dbraw/zinc/21/70/16/803217016.db2.gz WIGDXXTUHHNZOY-LLVKDONJSA-N 0 3 303.318 2.322 20 5 DEBDHN Cc1nc(Cl)nc(O[C@H]2CCN(C(C)C)C2)c1[N+](=O)[O-] ZINC001227339918 803231606 /nfs/dbraw/zinc/23/16/06/803231606.db2.gz LWYMFJWLLRTKCG-VIFPVBQESA-N 0 3 300.746 2.208 20 5 DEBDHN CC(C)[N@@H+]1CCC[C@H](Oc2ncc([N+](=O)[O-])c3nc[n-]c32)C1 ZINC001227690162 803267380 /nfs/dbraw/zinc/26/73/80/803267380.db2.gz GTKUBAWONKEGQZ-JTQLQIEISA-N 0 3 305.338 2.118 20 5 DEBDHN CC(C)[N@H+]1CCC[C@H](Oc2ncc([N+](=O)[O-])c3nc[n-]c32)C1 ZINC001227690162 803267382 /nfs/dbraw/zinc/26/73/82/803267382.db2.gz GTKUBAWONKEGQZ-JTQLQIEISA-N 0 3 305.338 2.118 20 5 DEBDHN COC(=O)c1cccc(OC2CCN(C3CC3)CC2)c1[N+](=O)[O-] ZINC001227893632 803292650 /nfs/dbraw/zinc/29/26/50/803292650.db2.gz GXNJOWNIQVUOJM-UHFFFAOYSA-N 0 3 320.345 2.387 20 5 DEBDHN CN1C[C@@H]2CCCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC001328040349 1148705479 /nfs/dbraw/zinc/70/54/79/1148705479.db2.gz ACFUHZOSXLYEQM-SMDDNHRTSA-N 0 3 323.780 2.414 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1OC(=O)C1CCCN(C2CC2)C1=O ZINC001343576625 1150753975 /nfs/dbraw/zinc/75/39/75/1150753975.db2.gz RQGCYOCGPMKZET-CYBMUJFWSA-N 0 3 318.329 2.210 20 5 DEBDHN CC(COC(=O)[C@@H](c1cccc(Cl)c1)N(C)C)[N+](=O)[O-] ZINC001344996658 1150857209 /nfs/dbraw/zinc/85/72/09/1150857209.db2.gz HDHGLTSYZJWLMB-BXKDBHETSA-N 0 3 300.742 2.151 20 5 DEBDHN CC(COC(=O)[C@@H](c1cccc(Cl)c1)N(C)C)[N+](=O)[O-] ZINC001344996660 1150857218 /nfs/dbraw/zinc/85/72/18/1150857218.db2.gz HDHGLTSYZJWLMB-JOYOIKCWSA-N 0 3 300.742 2.151 20 5 DEBDHN CN1C[C@H](NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC001472029641 1060376886 /nfs/dbraw/zinc/37/68/86/1060376886.db2.gz SWMRPTFNVNYGNC-KFWWJZLASA-N 0 3 317.389 2.155 20 5 DEBDHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1 ZINC001493465545 1063813972 /nfs/dbraw/zinc/81/39/72/1063813972.db2.gz WAOOMFNNEAYARO-UHFFFAOYSA-N 0 3 313.357 2.457 20 5 DEBDHN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CCN1C1CCCC1 ZINC001634502532 1078429922 /nfs/dbraw/zinc/42/99/22/1078429922.db2.gz ANZCVJACCINMIG-LLVKDONJSA-N 0 3 306.366 2.012 20 5 DEBDHN CCN1CCC[C@H](NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC001639117978 1078595328 /nfs/dbraw/zinc/59/53/28/1078595328.db2.gz DTCOURVFMPJWJI-YHAOYDPOSA-N 0 3 303.362 2.209 20 5 DEBDHN CC(C)C[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC001573504068 1069021079 /nfs/dbraw/zinc/02/10/79/1069021079.db2.gz MODWGPXBEXHTES-LBPRGKRZSA-N 0 3 302.334 2.455 20 5 DEBDHN CC(=O)NCCC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001267940048 1079619859 /nfs/dbraw/zinc/61/98/59/1079619859.db2.gz AYRXMDXPOOTUCA-UHFFFAOYSA-N 0 3 305.378 2.333 20 5 DEBDHN CCCN(C)CC(=O)NC/C=C\CNc1ccc([N+](=O)[O-])cc1 ZINC001107279719 1080705502 /nfs/dbraw/zinc/70/55/02/1080705502.db2.gz BEWNAZPPCXXJBH-PLNGDYQASA-N 0 3 320.393 2.021 20 5 DEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCNC[C@@H]1C(F)(F)F ZINC001246992362 1141223687 /nfs/dbraw/zinc/22/36/87/1141223687.db2.gz QNHRFQNFVDWUEY-GXFFZTMASA-N 0 3 317.311 2.362 20 5 DEBDHN CCOC(=O)C[C@H]1CCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001338420954 1142855437 /nfs/dbraw/zinc/85/54/37/1142855437.db2.gz HOBAMLKLJMZSCX-UKRRQHHQSA-N 0 3 322.361 2.046 20 5 DEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@H](CO)c1ccccn1 ZINC001254543437 1143241999 /nfs/dbraw/zinc/24/19/99/1143241999.db2.gz RNVCWOURQHLOOR-SWLSCSKDSA-N 0 3 301.346 2.244 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H](N)C1CCCCC1 ZINC001261493699 1144252565 /nfs/dbraw/zinc/25/25/65/1144252565.db2.gz NLFGCSLCSVBEHR-HNNXBMFYSA-N 0 3 321.377 2.127 20 5 DEBDHN C[C@H](CNC(=O)N1CCN[C@@H](C)[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC001262598869 1144322442 /nfs/dbraw/zinc/32/24/42/1144322442.db2.gz HQPNVQYZGXXRDW-AGIUHOORSA-N 0 3 320.393 2.090 20 5 DEBDHN CC(C)(F)C(=O)NC[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001264382086 1144522693 /nfs/dbraw/zinc/52/26/93/1144522693.db2.gz DETYWTTZDDJEFI-BJHJDKERSA-N 0 3 323.368 2.327 20 5 DEBDHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)C1(CCF)CC1 ZINC001317614042 1147733054 /nfs/dbraw/zinc/73/30/54/1147733054.db2.gz ZYMZVQITOYZTCQ-UHFFFAOYSA-N 0 3 323.368 2.283 20 5 DEBDHN COc1ccc(OCCN2CCC[C@H]2C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000152952907 282158424 /nfs/dbraw/zinc/15/84/24/282158424.db2.gz CVTYBYXETKGCOZ-OLZOCXBDSA-N 0 3 324.377 2.218 20 5 DEBDHN CCOc1ccc([C@@H](C)NC[C@@H](COC)OC)cc1[N+](=O)[O-] ZINC000272653563 210059381 /nfs/dbraw/zinc/05/93/81/210059381.db2.gz GCPIFFLEVFSMLJ-YPMHNXCESA-N 0 3 312.366 2.306 20 5 DEBDHN C[C@H](O)C[C@@H]1CCCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000279715517 215085570 /nfs/dbraw/zinc/08/55/70/215085570.db2.gz IKABFJWPMUDEKZ-NOLJZWGESA-N 0 3 308.378 2.254 20 5 DEBDHN COc1ccc(OCCN(C)CCSC)c([N+](=O)[O-])c1 ZINC000152513576 186081014 /nfs/dbraw/zinc/08/10/14/186081014.db2.gz LGVDURZHLUGALD-UHFFFAOYSA-N 0 3 300.380 2.277 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)CN(C)C ZINC000287172751 219360487 /nfs/dbraw/zinc/36/04/87/219360487.db2.gz NCILHHIYQLEUKD-JTQLQIEISA-N 0 3 310.354 2.065 20 5 DEBDHN COc1cc(CN[C@@H]2CCC[C@@H]2CCO)c([N+](=O)[O-])cc1OC ZINC000189974919 186258013 /nfs/dbraw/zinc/25/80/13/186258013.db2.gz BNAQNNXXJLHUQZ-DGCLKSJQSA-N 0 3 324.377 2.253 20 5 DEBDHN CS[C@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1N(C)C ZINC000282992861 282745519 /nfs/dbraw/zinc/74/55/19/282745519.db2.gz FDCDOFHGRAQPKJ-KBPBESRZSA-N 0 3 313.398 2.211 20 5 DEBDHN O=[N+]([O-])c1cc(F)ccc1CN[C@@H](C1CC1)[C@]1(CO)CCCO1 ZINC000595505242 358467790 /nfs/dbraw/zinc/46/77/90/358467790.db2.gz PCFOJIZCOAZIOK-JKSUJKDBSA-N 0 3 324.352 2.144 20 5 DEBDHN COc1cccc([C@@H](CNc2c([N+](=O)[O-])ncn2C)N(C)C)c1 ZINC000008337563 354012689 /nfs/dbraw/zinc/01/26/89/354012689.db2.gz CNAFHUHYAZBYEH-CYBMUJFWSA-N 0 3 319.365 2.052 20 5 DEBDHN O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@@H](N2CCCC2)C1 ZINC000058920077 354602259 /nfs/dbraw/zinc/60/22/59/354602259.db2.gz YQTMRURRSAFLMK-LLVKDONJSA-N 0 3 309.391 2.357 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCC(C)CC1 ZINC000067164355 354750317 /nfs/dbraw/zinc/75/03/17/354750317.db2.gz QXPVITFTBGONBM-UHFFFAOYSA-N 0 3 305.378 2.365 20 5 DEBDHN O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@H]1CN1CCCC1 ZINC000066945559 354740872 /nfs/dbraw/zinc/74/08/72/354740872.db2.gz CPJVFFGEUQWADN-NSHDSACASA-N 0 3 309.391 2.357 20 5 DEBDHN COc1cc(C(=O)N2CCCN(C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000075693398 355101873 /nfs/dbraw/zinc/10/18/73/355101873.db2.gz RPDHXDJNIHMPMJ-UHFFFAOYSA-N 0 3 321.377 2.160 20 5 DEBDHN CCN(CC)[C@H](CNc1ncc([N+](=O)[O-])c(N)n1)c1ccco1 ZINC000076269169 355137687 /nfs/dbraw/zinc/13/76/87/355137687.db2.gz WTEGZJQTYQIRBV-SNVBAGLBSA-N 0 3 320.353 2.055 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(NC2CCN(CCN(C)C)CC2)c1 ZINC000088700711 355518147 /nfs/dbraw/zinc/51/81/47/355518147.db2.gz KEAYMGAUEDIELE-UHFFFAOYSA-N 0 3 306.410 2.341 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(N2CCN(CC3CCOCC3)CC2)c1 ZINC000088724378 355518172 /nfs/dbraw/zinc/51/81/72/355518172.db2.gz GDRHDPMWMQACSP-UHFFFAOYSA-N 0 3 319.405 2.452 20 5 DEBDHN CCc1nn(C)c(NCCN(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000094149609 355694395 /nfs/dbraw/zinc/69/43/95/355694395.db2.gz RSHBIUYIIOQKAI-UHFFFAOYSA-N 0 3 317.393 2.435 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H](O)COCC1CC1 ZINC000129908666 355837275 /nfs/dbraw/zinc/83/72/75/355837275.db2.gz MVUFVPHXMKNZBB-IUODEOHRSA-N 0 3 308.378 2.341 20 5 DEBDHN C[C@H](CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)N(C)C1CC1 ZINC000185179455 356203265 /nfs/dbraw/zinc/20/32/65/356203265.db2.gz BEHBTCAQDQNOKZ-GHMZBOCLSA-N 0 3 323.368 2.436 20 5 DEBDHN CCN1CCN(CCCOc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000286654000 356371636 /nfs/dbraw/zinc/37/16/36/356371636.db2.gz UHNBZJJBUFRPAM-CQSZACIVSA-N 0 3 307.394 2.390 20 5 DEBDHN CCOc1cc(CN[C@@H]2CCCC[C@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000276898995 213163036 /nfs/dbraw/zinc/16/30/36/213163036.db2.gz LKCKBJUMSROWEF-CHWSQXEVSA-N 0 3 321.377 2.127 20 5 DEBDHN Cc1ccc(CNCc2ccc(CC(N)=O)cc2)cc1[N+](=O)[O-] ZINC000589320764 357463816 /nfs/dbraw/zinc/46/38/16/357463816.db2.gz LYGJKWIGUKFFCZ-UHFFFAOYSA-N 0 3 313.357 2.221 20 5 DEBDHN CCOc1ccc([C@H](C)NC[C@H]2CCCNC2=O)cc1[N+](=O)[O-] ZINC000591243899 357694326 /nfs/dbraw/zinc/69/43/26/357694326.db2.gz OBAMAUKLIZWHTP-WCQYABFASA-N 0 3 321.377 2.170 20 5 DEBDHN CCOc1ccc([C@@H](C)NCCC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000179415079 199032140 /nfs/dbraw/zinc/03/21/40/199032140.db2.gz GKFRQHJVYAXASM-LLVKDONJSA-N 0 3 309.366 2.122 20 5 DEBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H](CCO)C(C)(C)C)c1 ZINC000593022209 357989440 /nfs/dbraw/zinc/98/94/40/357989440.db2.gz VVIAWMKQHOKEKU-CQSZACIVSA-N 0 3 324.377 2.268 20 5 DEBDHN CN(C)C1(CN(C)C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CCC1 ZINC000593137260 358019663 /nfs/dbraw/zinc/01/96/63/358019663.db2.gz UZBFDTCZQYMONK-UHFFFAOYSA-N 0 3 323.368 2.219 20 5 DEBDHN CCOc1ccc([C@@H](C)N[C@H](CO)CCF)cc1[N+](=O)[O-] ZINC000593718436 358129655 /nfs/dbraw/zinc/12/96/55/358129655.db2.gz HHMHOAPQBRRGMI-PWSUYJOCSA-N 0 3 300.330 2.365 20 5 DEBDHN CCOc1ccc([C@H](C)N[C@H](CO)CCF)cc1[N+](=O)[O-] ZINC000593718434 358129738 /nfs/dbraw/zinc/12/97/38/358129738.db2.gz HHMHOAPQBRRGMI-JQWIXIFHSA-N 0 3 300.330 2.365 20 5 DEBDHN CC(C)(CNCc1cccc([N+](=O)[O-])c1)[C@]1(O)CCCOC1 ZINC000594997339 358376049 /nfs/dbraw/zinc/37/60/49/358376049.db2.gz VQBKNOUEFVXVDC-INIZCTEOSA-N 0 3 308.378 2.252 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H](CCO)CSC ZINC000595024975 358380240 /nfs/dbraw/zinc/38/02/40/358380240.db2.gz IIDNEVVUPNVIOE-MNOVXSKESA-N 0 3 314.407 2.368 20 5 DEBDHN CO[C@H](CNC(C)(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000595418167 358443222 /nfs/dbraw/zinc/44/32/22/358443222.db2.gz DARURJPZFUWOSB-IUODEOHRSA-N 0 3 308.378 2.471 20 5 DEBDHN C[C@H](NCCc1nnn(C(C)(C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC000595417771 358443235 /nfs/dbraw/zinc/44/32/35/358443235.db2.gz ZRRJXSPFNYFIHE-NSHDSACASA-N 0 3 318.381 2.230 20 5 DEBDHN O=[N+]([O-])c1cncc(Cl)c1N1CCN(c2ccncc2)CC1 ZINC000596061639 358600773 /nfs/dbraw/zinc/60/07/73/358600773.db2.gz MCPOUSKMCRUUGP-UHFFFAOYSA-N 0 3 319.752 2.365 20 5 DEBDHN O=c1[n-]ccc(N2CC[C@@H](C[NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000596138569 358620335 /nfs/dbraw/zinc/62/03/35/358620335.db2.gz XUWWOAJODITUJA-LBPRGKRZSA-N 0 3 306.366 2.008 20 5 DEBDHN C[NH+](C)CCCC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596176524 358631319 /nfs/dbraw/zinc/63/13/19/358631319.db2.gz HQMBCWUGGNMLJZ-UHFFFAOYSA-N 0 3 308.382 2.254 20 5 DEBDHN Cc1cccc(C(=O)N2CCC[C@@]3(CCN(C)C3)C2)c1[N+](=O)[O-] ZINC000597713589 358985457 /nfs/dbraw/zinc/98/54/57/358985457.db2.gz DDOFEZPNQNBMJN-KRWDZBQOSA-N 0 3 317.389 2.461 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@]2(CCN(C)C2)C1 ZINC000597710882 358985548 /nfs/dbraw/zinc/98/55/48/358985548.db2.gz PRWZRNGDRFUINW-KRWDZBQOSA-N 0 3 317.389 2.461 20 5 DEBDHN CC(C)[C@@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CCN1 ZINC000598569700 359244940 /nfs/dbraw/zinc/24/49/40/359244940.db2.gz CTOVNPRZNZWWIR-HNNXBMFYSA-N 0 3 319.405 2.329 20 5 DEBDHN CC(C)[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCN1 ZINC000598576730 359246860 /nfs/dbraw/zinc/24/68/60/359246860.db2.gz YZSZTMQFHVZEDW-XHSDSOJGSA-N 0 3 317.389 2.155 20 5 DEBDHN CCN(C(=O)c1ccc(C)c([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000599986775 359629629 /nfs/dbraw/zinc/62/96/29/359629629.db2.gz ZVOZAWZLRCPHOP-UHFFFAOYSA-N 0 3 305.378 2.460 20 5 DEBDHN CC[C@@]1(CO)CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000187567575 200129020 /nfs/dbraw/zinc/12/90/20/200129020.db2.gz LJDKBVOMRLBRPX-JKSUJKDBSA-N 0 3 308.378 2.113 20 5 DEBDHN CCOC(=O)C1(C)CC(NCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000601264678 359986044 /nfs/dbraw/zinc/98/60/44/359986044.db2.gz DDSCSVJNXUQZCW-UHFFFAOYSA-N 0 3 322.361 2.425 20 5 DEBDHN C[C@H](NC1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1cn[nH]c1 ZINC000602579211 360441754 /nfs/dbraw/zinc/44/17/54/360441754.db2.gz IHGPSZNDODEGCO-NSHDSACASA-N 0 3 316.365 2.033 20 5 DEBDHN COc1ccc(CNC[C@@H](OC)C2CCOCC2)cc1[N+](=O)[O-] ZINC000602528309 360418977 /nfs/dbraw/zinc/41/89/77/360418977.db2.gz OPHPOTRVBVBPRZ-MRXNPFEDSA-N 0 3 324.377 2.135 20 5 DEBDHN C[C@@H](Cc1cnn(C)c1)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602684774 360496825 /nfs/dbraw/zinc/49/68/25/360496825.db2.gz UKVDKDFTPVGRIU-JTQLQIEISA-N 0 3 315.333 2.190 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC([C@@H]2CCCCO2)CC1 ZINC000602901018 360617013 /nfs/dbraw/zinc/61/70/13/360617013.db2.gz QTDNUGCBYFKENU-HNNXBMFYSA-N 0 3 322.409 2.381 20 5 DEBDHN O=[N+]([O-])c1cc2c(cc1CNCC1(O)CCCCC1)OCCO2 ZINC000608836771 361271086 /nfs/dbraw/zinc/27/10/86/361271086.db2.gz FQEPGUDCEGEGIO-UHFFFAOYSA-N 0 3 322.361 2.151 20 5 DEBDHN O=C(N[C@H]1CCN(C2CC2)C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000609345027 361305510 /nfs/dbraw/zinc/30/55/10/361305510.db2.gz JJIZKEUGZVGVDT-JTQLQIEISA-N 0 3 314.345 2.043 20 5 DEBDHN Cc1c(NC(=O)CCN2CCCOC[C@H]2C)cccc1[N+](=O)[O-] ZINC000610990746 361504911 /nfs/dbraw/zinc/50/49/11/361504911.db2.gz LMNKKYOWLVTUMM-GFCCVEGCSA-N 0 3 321.377 2.343 20 5 DEBDHN C[C@@H](NC1CC1)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000449163899 240146604 /nfs/dbraw/zinc/14/66/04/240146604.db2.gz NYPYLWYUXIHJGM-LLVKDONJSA-N 0 3 303.362 2.226 20 5 DEBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@@H](O)C2CCC2)c1 ZINC000449738557 241011422 /nfs/dbraw/zinc/01/14/22/241011422.db2.gz CTJQOUGNVZMFGJ-GFCCVEGCSA-N 0 3 316.304 2.447 20 5 DEBDHN C[C@@H](CN1CCOCC1)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093632819 193277736 /nfs/dbraw/zinc/27/77/36/193277736.db2.gz FLQXFNZXFYGSRL-NSHDSACASA-N 0 3 313.785 2.059 20 5 DEBDHN CCN1C[C@@H](N[C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1=O ZINC000453331323 245074506 /nfs/dbraw/zinc/07/45/06/245074506.db2.gz TWKDIYGLGNOKLB-LSDHHAIUSA-N 0 3 317.389 2.126 20 5 DEBDHN O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@@H](N2CCCCC2)C1 ZINC000264558930 203996092 /nfs/dbraw/zinc/99/60/92/203996092.db2.gz QIQBAILYUWYREW-OAHLLOKOSA-N 0 3 303.362 2.295 20 5 DEBDHN O=[N+]([O-])c1ccccc1CNC[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000282944311 217342315 /nfs/dbraw/zinc/34/23/15/217342315.db2.gz XIWNJZFCBFHICA-GDBMZVCRSA-N 0 3 320.389 2.252 20 5 DEBDHN O=[N+]([O-])c1cnn(CCN2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC000268004713 206388688 /nfs/dbraw/zinc/38/86/88/206388688.db2.gz DUTXKTGFHVAABC-ZDUSSCGKSA-N 0 3 304.325 2.420 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCN1CCO[C@H](C)C1 ZINC000531704553 284598733 /nfs/dbraw/zinc/59/87/33/284598733.db2.gz HTGNPLJTZIYYFO-KGLIPLIRSA-N 0 3 307.394 2.275 20 5 DEBDHN CN1CC=C(CNC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000492326915 249041257 /nfs/dbraw/zinc/04/12/57/249041257.db2.gz DXGMCXOIWRDSBP-HWKANZROSA-N 0 3 319.336 2.125 20 5 DEBDHN CN(C)[C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])c1ccccc1 ZINC000294521059 224068574 /nfs/dbraw/zinc/06/85/74/224068574.db2.gz YSGVMUHVDJRBKE-AWEZNQCLSA-N 0 3 307.394 2.241 20 5 DEBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@]2(O)CCOC2)o1 ZINC000269963640 208013972 /nfs/dbraw/zinc/01/39/72/208013972.db2.gz JKVPJHHWHIJWQU-MRXNPFEDSA-N 0 3 318.329 2.096 20 5 DEBDHN O=[N+]([O-])c1ccc(CN[C@@H](C2CC2)[C@@]2(CO)CCCO2)cc1 ZINC000339764445 285115170 /nfs/dbraw/zinc/11/51/70/285115170.db2.gz GEOSBLZHBUSVOY-HOTGVXAUSA-N 0 3 306.362 2.005 20 5 DEBDHN CC(C)(C)CCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000272982970 210362945 /nfs/dbraw/zinc/36/29/45/210362945.db2.gz YLZHGHTYRBIARS-UHFFFAOYSA-N 0 3 314.407 2.394 20 5 DEBDHN O=[N+]([O-])c1ccccc1CN(CCN1CCCOCC1)C1CC1 ZINC000361328352 285160280 /nfs/dbraw/zinc/16/02/80/285160280.db2.gz KRXDMBFWFCTWPK-UHFFFAOYSA-N 0 3 319.405 2.282 20 5 DEBDHN CN(C[C@@H]1CCCN1C)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000155982806 197078174 /nfs/dbraw/zinc/07/81/74/197078174.db2.gz XTOUGMYWSQAWOE-JTQLQIEISA-N 0 3 311.769 2.414 20 5 DEBDHN C[C@H](O)c1ncc(CNCCc2ccccc2[N+](=O)[O-])s1 ZINC000289973750 221352978 /nfs/dbraw/zinc/35/29/78/221352978.db2.gz BVUHFJHSVOIBON-JTQLQIEISA-N 0 3 307.375 2.437 20 5 DEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCc1cccs1 ZINC000561069942 291951450 /nfs/dbraw/zinc/95/14/50/291951450.db2.gz OTBSBOAICVCSMW-LLVKDONJSA-N 0 3 308.359 2.186 20 5 DEBDHN C[C@@H](NC[C@@H](O)COCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000292875135 533413661 /nfs/dbraw/zinc/41/36/61/533413661.db2.gz HYSLKJCPVNEBLJ-BXKDBHETSA-N 0 3 322.283 2.185 20 5 DEBDHN C[C@@H](C(=O)N(C)[C@@H]1CCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000564717997 292106864 /nfs/dbraw/zinc/10/68/64/292106864.db2.gz DRFIKZVCUFTSKU-IUODEOHRSA-N 0 3 305.378 2.251 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H](C)N1CCCC1 ZINC000564812948 292112343 /nfs/dbraw/zinc/11/23/43/292112343.db2.gz LHUYOEGTHMCPGA-CYBMUJFWSA-N 0 3 305.378 2.426 20 5 DEBDHN C[C@H](CN(C)C)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000346150597 146025313 /nfs/dbraw/zinc/02/53/13/146025313.db2.gz YXLZCEARQCZOEC-SNVBAGLBSA-N 0 3 311.357 2.078 20 5 DEBDHN Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)N(C)C)cc1 ZINC000346367993 146069141 /nfs/dbraw/zinc/06/91/41/146069141.db2.gz GNACDKNFPVLANK-HNNXBMFYSA-N 0 3 316.361 2.264 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCCN([C@H](C)CO)CC1 ZINC000346639191 146115115 /nfs/dbraw/zinc/11/51/15/146115115.db2.gz JPGVTDFTQCDVFR-HUUCEWRRSA-N 0 3 321.421 2.353 20 5 DEBDHN CCCN(CCN(C)C)C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000359480522 147334752 /nfs/dbraw/zinc/33/47/52/147334752.db2.gz GCUSVYRFNGUTOE-UHFFFAOYSA-N 0 3 323.393 2.326 20 5 DEBDHN Cc1c([C@@H](C)NC[C@@H](O)COCC2CC2)cccc1[N+](=O)[O-] ZINC000129910369 401811337 /nfs/dbraw/zinc/81/13/37/401811337.db2.gz XSDPOLGBXWARLG-TZMCWYRMSA-N 0 3 308.378 2.341 20 5 DEBDHN CS(=O)(=O)[C@H]1CCC[C@@H](NCc2cccc([N+](=O)[O-])c2)C1 ZINC000077458228 401816723 /nfs/dbraw/zinc/81/67/23/401816723.db2.gz OHRUUEZAUNXDRN-OCCSQVGLSA-N 0 3 312.391 2.040 20 5 DEBDHN CCN1CCC[C@H]1CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087006547 401925967 /nfs/dbraw/zinc/92/59/67/401925967.db2.gz ZWNPUCVUFAVOON-HNNXBMFYSA-N 0 3 305.378 2.128 20 5 DEBDHN CCCN1CCC[C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088231206 401932294 /nfs/dbraw/zinc/93/22/94/401932294.db2.gz CHUIQHBLNZHILF-MRXNPFEDSA-N 0 3 317.389 2.354 20 5 DEBDHN CC[C@@H](NC[C@H]1CCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000038083185 401921779 /nfs/dbraw/zinc/92/17/79/401921779.db2.gz RVJFSSKXLLINOG-BXUZGUMPSA-N 0 3 312.391 2.070 20 5 DEBDHN CN(CCc1ccccn1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136805720 401974424 /nfs/dbraw/zinc/97/44/24/401974424.db2.gz ZTJPIOQNEAYXCL-INIZCTEOSA-N 0 3 301.346 2.198 20 5 DEBDHN CN(C)CCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000051468207 402034463 /nfs/dbraw/zinc/03/44/63/402034463.db2.gz VTIGQYYMRPOMQC-UHFFFAOYSA-N 0 3 320.374 2.010 20 5 DEBDHN O=[N+]([O-])c1cccc(OCCN2CC[C@@H]3OCCC[C@@H]3C2)c1 ZINC000152928947 402117501 /nfs/dbraw/zinc/11/75/01/402117501.db2.gz ZBTMJZCZTYGDKI-CJNGLKHVSA-N 0 3 306.362 2.475 20 5 DEBDHN CC(C)N(CCN(C)C)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000151934584 402066356 /nfs/dbraw/zinc/06/63/56/402066356.db2.gz DCQSIGGTDOCYCD-UHFFFAOYSA-N 0 3 322.409 2.195 20 5 DEBDHN CN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000068192645 402187004 /nfs/dbraw/zinc/18/70/04/402187004.db2.gz FBOCHMUITFEECN-VOTSOKGWSA-N 0 3 303.362 2.161 20 5 DEBDHN CN(C)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000068342004 402194602 /nfs/dbraw/zinc/19/46/02/402194602.db2.gz BSJNCTHBMGGGMP-NSHDSACASA-N 0 3 311.769 2.414 20 5 DEBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)Cn1cccn1 ZINC000067458548 402159617 /nfs/dbraw/zinc/15/96/17/402159617.db2.gz DGSMKHMKUSRSNP-INIZCTEOSA-N 0 3 318.377 2.063 20 5 DEBDHN C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000125508206 402236752 /nfs/dbraw/zinc/23/67/52/402236752.db2.gz KLGLCQGCIKBUBD-NEPJUHHUSA-N 0 3 321.377 2.327 20 5 DEBDHN C[C@@H]1C[C@@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000177038292 402362556 /nfs/dbraw/zinc/36/25/56/402362556.db2.gz USOMGHUSIPPUFM-GHABZHJMSA-N 0 3 315.373 2.349 20 5 DEBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCC[C@H]1O ZINC000245564468 402471790 /nfs/dbraw/zinc/47/17/90/402471790.db2.gz YXKCIEYGKXSXAC-CZUORRHYSA-N 0 3 308.378 2.457 20 5 DEBDHN O=[N+]([O-])c1cccc(-c2ccc(CNC[C@@]3(O)CCOC3)o2)c1 ZINC000179026262 402566204 /nfs/dbraw/zinc/56/62/04/402566204.db2.gz VCCAHJTYYHANDR-INIZCTEOSA-N 0 3 318.329 2.096 20 5 DEBDHN C[C@@H]1CC[C@@H](C)N1CC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000173898271 402717406 /nfs/dbraw/zinc/71/74/06/402717406.db2.gz IVOCJGQDWQHCNX-CHWSQXEVSA-N 0 3 305.378 2.426 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NCCN1CCC[C@@H](C)C1 ZINC000192473250 402731443 /nfs/dbraw/zinc/73/14/43/402731443.db2.gz KGMCVBCOYURJSK-GFCCVEGCSA-N 0 3 305.378 2.365 20 5 DEBDHN CCN(CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C1CC1 ZINC000263716676 402794964 /nfs/dbraw/zinc/79/49/64/402794964.db2.gz LBQQRKUUTZFWLS-UHFFFAOYSA-N 0 3 316.361 2.290 20 5 DEBDHN CN(C(=O)/C=C\c1cccc([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000263639365 402785211 /nfs/dbraw/zinc/78/52/11/402785211.db2.gz FBOCHMUITFEECN-SREVYHEPSA-N 0 3 303.362 2.161 20 5 DEBDHN COc1cc(N2CC[C@@H]3CCN(C)C[C@@H]32)c(F)cc1[N+](=O)[O-] ZINC000272176134 402906303 /nfs/dbraw/zinc/90/63/03/402906303.db2.gz JIABTCBEBZDMFQ-HZMBPMFUSA-N 0 3 309.341 2.273 20 5 DEBDHN CS[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1N(C)C ZINC000272102210 402897277 /nfs/dbraw/zinc/89/72/77/402897277.db2.gz ZXFRETNFRALCBO-KGLIPLIRSA-N 0 3 313.398 2.211 20 5 DEBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000272128607 402900581 /nfs/dbraw/zinc/90/05/81/402900581.db2.gz BELWHOFKPMMCGM-CYBMUJFWSA-N 0 3 319.405 2.326 20 5 DEBDHN CCN1CCC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273466906 403007223 /nfs/dbraw/zinc/00/72/23/403007223.db2.gz NXFGMLCRRJVAOT-LLVKDONJSA-N 0 3 310.329 2.340 20 5 DEBDHN Cc1ccc(C(=O)NC[C@@]2(N(C)C)CCSC2)cc1[N+](=O)[O-] ZINC000267065381 403012289 /nfs/dbraw/zinc/01/22/89/403012289.db2.gz CMPCHYAUKUBQCP-HNNXBMFYSA-N 0 3 323.418 2.070 20 5 DEBDHN CN1CCC(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000273155805 402977790 /nfs/dbraw/zinc/97/77/90/402977790.db2.gz APBFCXXOIJQUHU-UHFFFAOYSA-N 0 3 303.362 2.216 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1N1CCN(C[C@H]2CCOC2)CC1 ZINC000267325362 403036753 /nfs/dbraw/zinc/03/67/53/403036753.db2.gz AVIXMJQBHCMZDA-CQSZACIVSA-N 0 3 305.378 2.062 20 5 DEBDHN C[C@H](Nc1ncc([N+](=O)[O-])c(N)n1)[C@H](c1ccccc1)N(C)C ZINC000281002408 403056992 /nfs/dbraw/zinc/05/69/92/403056992.db2.gz PSEQKPOQTFFIJJ-GXFFZTMASA-N 0 3 316.365 2.070 20 5 DEBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000268189592 403059973 /nfs/dbraw/zinc/05/99/73/403059973.db2.gz MRAHVAMNULYQLU-OTYXRUKQSA-N 0 3 323.780 2.461 20 5 DEBDHN CN(CCN(C)C1CC1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000274617744 403072258 /nfs/dbraw/zinc/07/22/58/403072258.db2.gz YQKJGDIKRMVATN-UHFFFAOYSA-N 0 3 323.418 2.240 20 5 DEBDHN CCC1(CO)CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000270910988 403239124 /nfs/dbraw/zinc/23/91/24/403239124.db2.gz QDFLMDGWGHHLBL-OAHLLOKOSA-N 0 3 308.378 2.113 20 5 DEBDHN C[C@@H]1[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCCN1C ZINC000345329996 403289193 /nfs/dbraw/zinc/28/91/93/403289193.db2.gz WITROBAGOCBCDT-ZYHUDNBSSA-N 0 3 316.361 2.289 20 5 DEBDHN COc1cc(C[NH2+]C[C@@H]2CCOC[C@@H]2C)c([N+](=O)[O-])cc1[O-] ZINC000285644335 403347662 /nfs/dbraw/zinc/34/76/62/403347662.db2.gz XXEXJSAVGSSUIG-QWRGUYRKSA-N 0 3 310.350 2.071 20 5 DEBDHN CN1CC[C@]2(CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)C1 ZINC000292383656 403359025 /nfs/dbraw/zinc/35/90/25/403359025.db2.gz SVLKKLJFPJSUHS-AWEZNQCLSA-N 0 3 306.322 2.035 20 5 DEBDHN COc1c(C(=O)N(C)[C@H]2CCN(C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000331054365 403317759 /nfs/dbraw/zinc/31/77/59/403317759.db2.gz JWUNORYTPGPVDD-YPMHNXCESA-N 0 3 321.377 2.016 20 5 DEBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCOC[C@@H](C3CCC3)C2)c1 ZINC000292199982 403319595 /nfs/dbraw/zinc/31/95/95/403319595.db2.gz SCSOOJNXYIBMHC-DOTOQJQBSA-N 0 3 320.389 2.377 20 5 DEBDHN Cc1n[nH]cc1CN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000331635493 403436727 /nfs/dbraw/zinc/43/67/27/403436727.db2.gz OTJZXIXHQXYPTO-STQMWFEESA-N 0 3 304.354 2.096 20 5 DEBDHN O=[N+]([O-])c1ccccc1CN[C@@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000339764940 403442094 /nfs/dbraw/zinc/44/20/94/403442094.db2.gz VJZKVQMYWOXWBD-HOTGVXAUSA-N 0 3 306.362 2.005 20 5 DEBDHN CN(C[C@@H]1CCN(C)C1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000331688977 403452664 /nfs/dbraw/zinc/45/26/64/403452664.db2.gz WJCOCJBIIDAKOW-LLVKDONJSA-N 0 3 316.361 2.100 20 5 DEBDHN CCCN(CCN1CCCCC1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000286137068 403457092 /nfs/dbraw/zinc/45/70/92/403457092.db2.gz HRSVMYIVEIANSR-UHFFFAOYSA-N 0 3 308.382 2.261 20 5 DEBDHN CC(C)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C1CCN(C)CC1 ZINC000299120497 403526797 /nfs/dbraw/zinc/52/67/97/403526797.db2.gz UNVNUHNBVCOVKB-UHFFFAOYSA-N 0 3 308.382 2.115 20 5 DEBDHN CC[C@H](C(=O)NCc1cc([N+](=O)[O-])ccc1OC)N(CC)CC ZINC000343622626 403666178 /nfs/dbraw/zinc/66/61/78/403666178.db2.gz NXMOHABGILOQFY-CQSZACIVSA-N 0 3 323.393 2.340 20 5 DEBDHN CCCN1CCC[C@@H]1CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000343657391 403680251 /nfs/dbraw/zinc/68/02/51/403680251.db2.gz IZLTXAMRYMRXKU-LLVKDONJSA-N 0 3 323.397 2.046 20 5 DEBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000295118581 403765698 /nfs/dbraw/zinc/76/56/98/403765698.db2.gz MCBADTUPKFPQIZ-RNCFNFMXSA-N 0 3 323.780 2.461 20 5 DEBDHN CC(=O)NCC[C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000347648528 403791147 /nfs/dbraw/zinc/79/11/47/403791147.db2.gz IMKSGFFMIGEQHD-CQSZACIVSA-N 0 3 305.378 2.333 20 5 DEBDHN C[C@@H]1CN(C)[C@@H](C)CN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000351960748 404035538 /nfs/dbraw/zinc/03/55/38/404035538.db2.gz WBVQHIQUJMLMDT-UONOGXRCSA-N 0 3 307.394 2.388 20 5 DEBDHN Cc1c([C@H](C)NCCN2CCC(O)CC2)cccc1[N+](=O)[O-] ZINC000295956135 404028249 /nfs/dbraw/zinc/02/82/49/404028249.db2.gz MPJDTYSGCXNRMF-ZDUSSCGKSA-N 0 3 307.394 2.011 20 5 DEBDHN C[C@H]1C[C@H](Nc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CCN1C ZINC000322687816 404085797 /nfs/dbraw/zinc/08/57/97/404085797.db2.gz IPGUQBMALNYGPW-VHSXEESVSA-N 0 3 317.349 2.138 20 5 DEBDHN COc1ccc(C2(NCCn3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000341700876 404119786 /nfs/dbraw/zinc/11/97/86/404119786.db2.gz JGTBSILNNSJWCF-UHFFFAOYSA-N 0 3 302.334 2.079 20 5 DEBDHN Cc1nc(NC[C@@H](c2cccs2)N(C)C)ncc1[N+](=O)[O-] ZINC000296194012 404136378 /nfs/dbraw/zinc/13/63/78/404136378.db2.gz BQQKPFWQIOPCSE-NSHDSACASA-N 0 3 307.379 2.470 20 5 DEBDHN CN(C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(C)C1 ZINC000412131711 404151266 /nfs/dbraw/zinc/15/12/66/404151266.db2.gz JGTQRPYVUCIYTE-HRCADAONSA-N 0 3 317.389 2.251 20 5 DEBDHN C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCCN1C ZINC000412239022 404204978 /nfs/dbraw/zinc/20/49/78/404204978.db2.gz BDXKDAURTGSTFV-CAPXZKIUSA-N 0 3 317.389 2.297 20 5 DEBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000344611365 404260639 /nfs/dbraw/zinc/26/06/39/404260639.db2.gz NEWRKDHSZUHWEA-ZDUSSCGKSA-N 0 3 320.393 2.027 20 5 DEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCCNC(=O)C1CC1 ZINC000344821340 404388431 /nfs/dbraw/zinc/38/84/31/404388431.db2.gz ISXPVUHCYWUDNI-FMIVXFBMSA-N 0 3 303.362 2.114 20 5 DEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@H]1CC(=O)N(C2CC2)C1 ZINC000345045521 404514188 /nfs/dbraw/zinc/51/41/88/404514188.db2.gz VODRIMSXGBMTNI-GMMCIKNFSA-N 0 3 315.373 2.351 20 5 DEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@@H]1CS(=O)(=O)C[C@@H]1C ZINC000342409637 404561669 /nfs/dbraw/zinc/56/16/69/404561669.db2.gz DHIIXHCUBOFTCF-QZIOEJFTSA-N 0 3 324.402 2.021 20 5 DEBDHN CC1(C)[C@@H]2CN([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@@H]21 ZINC000357775608 404743061 /nfs/dbraw/zinc/74/30/61/404743061.db2.gz BUIUPGLJVXGECS-ZNMIVQPWSA-N 0 3 315.373 2.288 20 5 DEBDHN CN(C)CCN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000356878243 404715212 /nfs/dbraw/zinc/71/52/12/404715212.db2.gz RNKRXGVTLPPQPC-UHFFFAOYSA-N 0 3 311.769 2.414 20 5 DEBDHN O=[N+]([O-])c1ccc(CN[C@H]2CNCCC2(F)F)c(Cl)c1 ZINC000414996489 404783759 /nfs/dbraw/zinc/78/37/59/404783759.db2.gz GSGDTLHSBUGDJQ-NSHDSACASA-N 0 3 305.712 2.335 20 5 DEBDHN O=C(NC[C@@H]1C[C@H](F)CN1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000366506426 404805492 /nfs/dbraw/zinc/80/54/92/404805492.db2.gz HUDDENWGONREAP-UWVGGRQHSA-N 0 3 323.349 2.239 20 5 DEBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCN(C)C1CC1 ZINC000361171211 404956550 /nfs/dbraw/zinc/95/65/50/404956550.db2.gz MGLYGFZVUHBPHG-CQSZACIVSA-N 0 3 319.405 2.374 20 5 DEBDHN COC(=O)COc1ccc(CN[C@H]2C=CCCC2)cc1[N+](=O)[O-] ZINC000353737933 404948689 /nfs/dbraw/zinc/94/86/89/404948689.db2.gz MLMHHGVCJCCKRS-ZDUSSCGKSA-N 0 3 320.345 2.345 20 5 DEBDHN O=[N+]([O-])c1cccc(CN(CCN2CCCOCC2)C2CC2)c1 ZINC000361317539 405020524 /nfs/dbraw/zinc/02/05/24/405020524.db2.gz YTMKUJZQGGRUAZ-UHFFFAOYSA-N 0 3 319.405 2.282 20 5 DEBDHN CN(C)C1(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000416299842 405094553 /nfs/dbraw/zinc/09/45/53/405094553.db2.gz GZTATZPPUOZBHJ-UHFFFAOYSA-N 0 3 305.378 2.083 20 5 DEBDHN COC[C@@H]1CCCCN1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000452043965 405139014 /nfs/dbraw/zinc/13/90/14/405139014.db2.gz VKPKLNQMJWVNNZ-ZDUSSCGKSA-N 0 3 324.377 2.483 20 5 DEBDHN CO[C@@H]1C[C@@H](N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000439622372 405286956 /nfs/dbraw/zinc/28/69/56/405286956.db2.gz FRIGVJJRSIFCFD-LERXQTSPSA-N 0 3 321.377 2.325 20 5 DEBDHN C[C@H](NC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000454363502 405336128 /nfs/dbraw/zinc/33/61/28/405336128.db2.gz OKOBXSJPRGKIRH-CORIIIEPSA-N 0 3 318.377 2.001 20 5 DEBDHN CCN1CCC(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000429859415 405453735 /nfs/dbraw/zinc/45/37/35/405453735.db2.gz PSWHYNUHKOIRSK-UHFFFAOYSA-N 0 3 319.405 2.473 20 5 DEBDHN C[C@H](NC(=O)/C=C\c1cccc([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000492542670 405506548 /nfs/dbraw/zinc/50/65/48/405506548.db2.gz ZCDSDJDPWUKTOY-FWWRYZNZSA-N 0 3 315.373 2.375 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000421468968 405512088 /nfs/dbraw/zinc/51/20/88/405512088.db2.gz AQJHTVVRWCXJOH-ZDUSSCGKSA-N 0 3 305.378 2.378 20 5 DEBDHN COc1nccc(CN[C@@H](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000449373125 405529564 /nfs/dbraw/zinc/52/95/64/405529564.db2.gz OFXOXECLCFMPRJ-NSHDSACASA-N 0 3 302.334 2.114 20 5 DEBDHN CN(C[C@H]1CCCN1C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000421699654 405594005 /nfs/dbraw/zinc/59/40/05/405594005.db2.gz BSBKYXBWBCNHTB-GFCCVEGCSA-N 0 3 311.769 2.414 20 5 DEBDHN C[C@H](C(=O)N1CC[C@@H](N2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000558689882 405689626 /nfs/dbraw/zinc/68/96/26/405689626.db2.gz LEWCNJUNENHFFS-XJKSGUPXSA-N 0 3 317.389 2.395 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000457118404 405708474 /nfs/dbraw/zinc/70/84/74/405708474.db2.gz MTXPULGFLMXWKL-AWEZNQCLSA-N 0 3 305.378 2.458 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC(C)(C)CN(C)C)c1 ZINC000457215268 405756995 /nfs/dbraw/zinc/75/69/95/405756995.db2.gz YUPOIWSSDHCCCG-UHFFFAOYSA-N 0 3 323.393 2.129 20 5 DEBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](CN2CCOC2=O)C1 ZINC000496343146 405964553 /nfs/dbraw/zinc/96/45/53/405964553.db2.gz LJLAUYAKINEEFI-STQMWFEESA-N 0 3 319.361 2.430 20 5 DEBDHN COC[C@H](NC/C=C\c1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000433210099 405901488 /nfs/dbraw/zinc/90/14/88/405901488.db2.gz ZWLUTZUMFYRDGO-LXYJYLRBSA-N 0 3 306.362 2.392 20 5 DEBDHN CCC[C@@H](N)c1cn(Cc2c(F)cc([N+](=O)[O-])cc2F)nn1 ZINC000603247548 405903429 /nfs/dbraw/zinc/90/34/29/405903429.db2.gz MHFCGCTWHOMQDB-GFCCVEGCSA-N 0 3 311.292 2.313 20 5 DEBDHN O=c1c2cccc([N+](=O)[O-])c2ccn1CCN1CCCCC1 ZINC000569242937 406227511 /nfs/dbraw/zinc/22/75/11/406227511.db2.gz DEDIOOMOSXFMAE-UHFFFAOYSA-N 0 3 301.346 2.396 20 5 DEBDHN CCN(C[C@@H]1CCCN1CC)C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000548453457 406518177 /nfs/dbraw/zinc/51/81/77/406518177.db2.gz AUDBMSKKKDINIK-ZDUSSCGKSA-N 0 3 320.393 2.245 20 5 DEBDHN CN(C)[C@H]1CCCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000491466797 406599310 /nfs/dbraw/zinc/59/93/10/406599310.db2.gz YYPZQZGKOYAUMM-CMUBDUJZSA-N 0 3 303.362 2.161 20 5 DEBDHN CC[NH+](CC)[C@@H](C)C[N-]c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000359872424 424834074 /nfs/dbraw/zinc/83/40/74/424834074.db2.gz ICZZTIAMDKQXAA-NSHDSACASA-N 0 3 319.365 2.787 20 5 DEBDHN CC(C)Oc1nc(N[C@@H]2CCN(CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000594550148 425012551 /nfs/dbraw/zinc/01/25/51/425012551.db2.gz KAESRBUQLHQQIX-CYBMUJFWSA-N 0 3 320.393 2.673 20 5 DEBDHN CCOc1ccc(C(=O)N[C@H]2CCN(C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000334041791 269009828 /nfs/dbraw/zinc/00/98/28/269009828.db2.gz DAIQUVMRUKGDDC-YPMHNXCESA-N 0 3 321.377 2.206 20 5 DEBDHN C[C@H](N[C@@H]1CSC[C@@H]1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000507267532 269316022 /nfs/dbraw/zinc/31/60/22/269316022.db2.gz YCTBSIIVSQGERD-JBLDHEPKSA-N 0 3 309.391 2.263 20 5 DEBDHN CNC(=O)C[C@H](C)N[C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417346911 273948836 /nfs/dbraw/zinc/94/88/36/273948836.db2.gz GCWYZULZNFXAQS-NHYWBVRUSA-N 0 3 305.378 2.477 20 5 DEBDHN Cc1c(NC(=O)[C@H](C)N[C@@H](C)[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000266280026 274664854 /nfs/dbraw/zinc/66/48/54/274664854.db2.gz FXTAROUUSSNDFB-AVGNSLFASA-N 0 3 321.377 2.245 20 5 DEBDHN CNC(=O)[C@@]1(C)CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000280713654 277010834 /nfs/dbraw/zinc/01/08/34/277010834.db2.gz HQCMSAVPJPHWIT-LRDDRELGSA-N 0 3 305.378 2.422 20 5 DEBDHN CN1CCCC(C)(C)[C@H]1CNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420629793 277041599 /nfs/dbraw/zinc/04/15/99/277041599.db2.gz RCANDTYKLXOVOT-CYBMUJFWSA-N 0 3 320.393 2.226 20 5 DEBDHN CS[C@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)C[C@@H]1N(C)C ZINC000278427661 278167626 /nfs/dbraw/zinc/16/76/26/278167626.db2.gz PGIRTLJYJNVKOQ-KBPBESRZSA-N 0 3 322.434 2.045 20 5 DEBDHN CCN1CCCC[C@@H]1CNC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000192556148 279274352 /nfs/dbraw/zinc/27/43/52/279274352.db2.gz YEUSQGRRUKOAFX-GFCCVEGCSA-N 0 3 321.377 2.208 20 5 DEBDHN CCN1CCCC[C@@H]1CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269379620 279274714 /nfs/dbraw/zinc/27/47/14/279274714.db2.gz JBEZIERLLQFOSO-LLVKDONJSA-N 0 3 323.397 2.046 20 5 DEBDHN C[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000299082147 279345654 /nfs/dbraw/zinc/34/56/54/279345654.db2.gz XRMPOIGEPPGRMV-QWHCGFSZSA-N 0 3 305.378 2.445 20 5 DEBDHN Cc1cccc(N2CCN(CC3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000188381071 281228015 /nfs/dbraw/zinc/22/80/15/281228015.db2.gz RIPIFKSPFVTSBS-UHFFFAOYSA-N 0 3 319.405 2.452 20 5 DEBDHN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCCN1CCCCC1 ZINC000491199468 303522032 /nfs/dbraw/zinc/52/20/32/303522032.db2.gz JEJMQHFWPJFACZ-TWGQIWQCSA-N 0 3 303.362 2.210 20 5 DEBDHN CCOC(=O)CC[C@@H](O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000567725886 325850137 /nfs/dbraw/zinc/85/01/37/325850137.db2.gz NEWLOLCHWYFDTI-TZMCWYRMSA-N 0 3 324.377 2.258 20 5 DEBDHN O=C1C[C@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])[C@@H]2CCCCN12 ZINC000574171931 326129935 /nfs/dbraw/zinc/12/99/35/326129935.db2.gz PJAREVJJZJOCJR-YCPHGPKFSA-N 0 3 315.373 2.325 20 5 DEBDHN CCc1nncn1CCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000577027691 326336489 /nfs/dbraw/zinc/33/64/89/326336489.db2.gz ZSBJRMPUJOAAKU-HNNXBMFYSA-N 0 3 315.377 2.416 20 5 DEBDHN Cc1cc(NC(=O)N2C[C@H]3CCN(C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000577155258 326345472 /nfs/dbraw/zinc/34/54/72/326345472.db2.gz JTSOCSDBUUNDMJ-RISCZKNCSA-N 0 3 304.350 2.071 20 5 DEBDHN O=[N+]([O-])c1cnc(NCC2(N3CCCC3)CCOCC2)c(F)c1 ZINC000580047783 332913297 /nfs/dbraw/zinc/91/32/97/332913297.db2.gz ZHJPTUWISDJCAC-UHFFFAOYSA-N 0 3 324.356 2.186 20 5 DEBDHN CC(=O)N1CCC(NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000183402843 333184500 /nfs/dbraw/zinc/18/45/00/333184500.db2.gz QTWOPSCZHGUBAP-UHFFFAOYSA-N 0 3 311.769 2.349 20 5 DEBDHN O=C(NCCN[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000417333864 534356759 /nfs/dbraw/zinc/35/67/59/534356759.db2.gz ZIMLBAYURNNFTR-MRXNPFEDSA-N 0 3 317.389 2.478 20 5 DEBDHN CC(C)c1ccc([C@H](N)CNC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1 ZINC000428893376 528144462 /nfs/dbraw/zinc/14/44/62/528144462.db2.gz DECMGEONRFLISE-CQSZACIVSA-N 0 3 316.361 2.476 20 5 DEBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)N1CCCC1 ZINC000168653511 625309805 /nfs/dbraw/zinc/30/98/05/625309805.db2.gz HHBJMRSNRLHSBH-SNVBAGLBSA-N 0 3 311.769 2.462 20 5 DEBDHN C[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000893280068 625375379 /nfs/dbraw/zinc/37/53/79/625375379.db2.gz UEOBEKWPBLTVJI-GRYCIOLGSA-N 0 3 312.391 2.069 20 5 DEBDHN O=[N+]([O-])c1ccc(N2CCN(CCCCCCO)CC2)cc1 ZINC000175740110 622710431 /nfs/dbraw/zinc/71/04/31/622710431.db2.gz DCGNSHWTXMUORX-UHFFFAOYSA-N 0 3 307.394 2.270 20 5 DEBDHN C[C@H](NC(=O)N1C[C@H](C)NC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000892816701 625629213 /nfs/dbraw/zinc/62/92/13/625629213.db2.gz WTZKTEQAGLRPJV-SRVKXCTJSA-N 0 3 306.366 2.048 20 5 DEBDHN COC(C)(C)c1nc(C)c(C(=O)OCC(C)[N+](=O)[O-])s1 ZINC000813101564 623293158 /nfs/dbraw/zinc/29/31/58/623293158.db2.gz DKBHGGQTMVMWHN-ZETCQYMHSA-N 0 3 302.352 2.155 20 5 DEBDHN O=[N+]([O-])c1cnc2ccc(F)cc2c1N[C@@H]1CCN(C2CC2)C1 ZINC000891999421 624734931 /nfs/dbraw/zinc/73/49/31/624734931.db2.gz DSEVRRHOBQVTMJ-LLVKDONJSA-N 0 3 316.336 2.353 20 5 DEBDHN CCN1CCC[C@H]1CNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000176705516 624919910 /nfs/dbraw/zinc/91/99/10/624919910.db2.gz ZTVPTRUIVNDGJO-LBPRGKRZSA-N 0 3 309.341 2.256 20 5 DEBDHN Cc1ccnc(NC2CCN(C[C@@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000734479562 633373765 /nfs/dbraw/zinc/37/37/65/633373765.db2.gz WGDFJROCZWEYFJ-AWEZNQCLSA-N 0 3 320.393 2.354 20 5 DEBDHN Cc1c(NC(=O)N(C)[C@@H]2CCCN(C)C2)cccc1[N+](=O)[O-] ZINC000929220989 633615405 /nfs/dbraw/zinc/61/54/05/633615405.db2.gz HZMUVSIHSRDIES-GFCCVEGCSA-N 0 3 306.366 2.461 20 5 DEBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H]3COCO3)o2)cc1 ZINC000894871389 637278601 /nfs/dbraw/zinc/27/86/01/637278601.db2.gz DDSPTPQMZSCKHH-AWEZNQCLSA-N 0 3 304.302 2.317 20 5 DEBDHN CCN(C[C@H]1CCOC1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000738082385 637389466 /nfs/dbraw/zinc/38/94/66/637389466.db2.gz RQNVLQHBIQJPBO-GFCCVEGCSA-N 0 3 304.350 2.260 20 5 DEBDHN COc1cc(CN2CCN(C)C(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000895564736 638082745 /nfs/dbraw/zinc/08/27/45/638082745.db2.gz LCXSCWPASAKLRP-UHFFFAOYSA-N 0 3 323.393 2.138 20 5 DEBDHN CC(=O)N1C[C@H]2CN(C/C=C/c3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC000895575770 638089484 /nfs/dbraw/zinc/08/94/84/638089484.db2.gz INHISNRLQJGUNC-YHDUYMPDSA-N 0 3 315.373 2.018 20 5 DEBDHN COC(=O)/C=C\c1ccc(N[C@@H]2CCN(C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000895738168 638178175 /nfs/dbraw/zinc/17/81/75/638178175.db2.gz GWKHKKPNXGTULD-HHQZKXIDSA-N 0 3 319.361 2.286 20 5 DEBDHN COc1cc(C(=O)NC[C@H](C)N2CCCCC2)ccc1[N+](=O)[O-] ZINC000751349447 639074755 /nfs/dbraw/zinc/07/47/55/639074755.db2.gz IRCULDLFGFAGME-LBPRGKRZSA-N 0 3 321.377 2.208 20 5 DEBDHN COCC(C)(C)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000756075773 639622119 /nfs/dbraw/zinc/62/21/19/639622119.db2.gz ISMLVAVOSFNJSV-UHFFFAOYSA-N 0 3 307.394 2.389 20 5 DEBDHN Cc1nc([C@H]2CCN(Cc3cc(F)ccc3[N+](=O)[O-])C2)n[nH]1 ZINC000839659180 639781291 /nfs/dbraw/zinc/78/12/91/639781291.db2.gz ITPCADLVWLSGQW-JTQLQIEISA-N 0 3 305.313 2.150 20 5 DEBDHN Cc1n[nH]c([C@H]2CCN(Cc3cc(F)ccc3[N+](=O)[O-])C2)n1 ZINC000839659180 639781296 /nfs/dbraw/zinc/78/12/96/639781296.db2.gz ITPCADLVWLSGQW-JTQLQIEISA-N 0 3 305.313 2.150 20 5 DEBDHN Cc1nnc([C@H]2CCN(Cc3cc(F)ccc3[N+](=O)[O-])C2)[nH]1 ZINC000839659180 639781300 /nfs/dbraw/zinc/78/13/00/639781300.db2.gz ITPCADLVWLSGQW-JTQLQIEISA-N 0 3 305.313 2.150 20 5 DEBDHN O=[N+]([O-])c1ccc(CNCCOC[C@H]2CCOC2)cc1Cl ZINC000761522367 640320530 /nfs/dbraw/zinc/32/05/30/640320530.db2.gz YIRSQWAIVLHTFM-LBPRGKRZSA-N 0 3 314.769 2.391 20 5 DEBDHN C[C@H](NCc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CN(C)CCO1 ZINC000761528454 640321613 /nfs/dbraw/zinc/32/16/13/640321613.db2.gz VIJVHYHUMXLMHC-IINYFYTJSA-N 0 3 313.785 2.057 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H](O)c1cnn(C)c1 ZINC000766183519 640856092 /nfs/dbraw/zinc/85/60/92/640856092.db2.gz KOUKPHZFXWTMTC-NHYWBVRUSA-N 0 3 304.350 2.021 20 5 DEBDHN CC1(C)CCCN(CCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000769708347 641279237 /nfs/dbraw/zinc/27/92/37/641279237.db2.gz SXSDBARIOVZKSV-UHFFFAOYSA-N 0 3 320.393 2.029 20 5 DEBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC(c3cn[nH]c3)CC2)cc1 ZINC000776274028 642151753 /nfs/dbraw/zinc/15/17/53/642151753.db2.gz BFPNTQYDKBCBNW-MRXNPFEDSA-N 0 3 316.361 2.231 20 5 DEBDHN COc1c(C(=O)NC[C@@H](C)N2CCCCC2)cccc1[N+](=O)[O-] ZINC000793132253 644195415 /nfs/dbraw/zinc/19/54/15/644195415.db2.gz LJYDTDLLBUIVIG-GFCCVEGCSA-N 0 3 321.377 2.208 20 5 DEBDHN C/C(=C\C(=O)N1CC[C@H](N2CCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000912911769 646205488 /nfs/dbraw/zinc/20/54/88/646205488.db2.gz OISBIVFBWVTVPU-BYIUCRAPSA-N 0 3 315.373 2.305 20 5 DEBDHN CN1CCC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000809913009 646299354 /nfs/dbraw/zinc/29/93/54/646299354.db2.gz RQZVANISJQTZME-VIFPVBQESA-N 0 3 312.757 2.464 20 5 DEBDHN CC(COC(=O)c1ccc(C(=O)OC(C)(C)C)cc1)[N+](=O)[O-] ZINC000813101936 646728368 /nfs/dbraw/zinc/72/83/68/646728368.db2.gz LNQZHSXWVCPVRT-SNVBAGLBSA-N 0 3 309.318 2.464 20 5 DEBDHN CC(COC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)[N+](=O)[O-] ZINC000813102084 646728698 /nfs/dbraw/zinc/72/86/98/646728698.db2.gz APMVYXZXKZPFNH-QMMMGPOBSA-N 0 3 314.269 2.220 20 5 DEBDHN CC(COC(=O)COc1ccc(Br)cc1)[N+](=O)[O-] ZINC000813103171 646728721 /nfs/dbraw/zinc/72/87/21/646728721.db2.gz YRRHUVATAVYCJR-MRVPVSSYSA-N 0 3 318.123 2.036 20 5 DEBDHN CC(COC(=O)c1ccc(F)cc1Br)[N+](=O)[O-] ZINC000813102287 646729057 /nfs/dbraw/zinc/72/90/57/646729057.db2.gz DHWUPUSARKOQSN-LURJTMIESA-N 0 3 306.087 2.410 20 5 DEBDHN Cc1nn(Cc2ccccc2)c(C)c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813105995 646729593 /nfs/dbraw/zinc/72/95/93/646729593.db2.gz XGBWEKLRIMWYCM-NSHDSACASA-N 0 3 317.345 2.370 20 5 DEBDHN CC(COC(=O)/C=C\c1ccc(Br)o1)[N+](=O)[O-] ZINC000813106077 646729750 /nfs/dbraw/zinc/72/97/50/646729750.db2.gz XZFULXPRLYYGMH-GLCRXLCDSA-N 0 3 304.096 2.264 20 5 DEBDHN COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813106307 646729843 /nfs/dbraw/zinc/72/98/43/646729843.db2.gz AJTQKIPFMMYJDZ-GAFUQQFSSA-N 0 3 309.318 2.016 20 5 DEBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1Cc1ccccc1 ZINC000813110394 646731379 /nfs/dbraw/zinc/73/13/79/646731379.db2.gz ZQOVCMBNFCNAMN-LLVKDONJSA-N 0 3 303.318 2.062 20 5 DEBDHN Cc1ccc(Nc2cccc(C(=O)OCC(C)[N+](=O)[O-])c2)nn1 ZINC000813113967 646732166 /nfs/dbraw/zinc/73/21/66/646732166.db2.gz XEAIIAKSXTZCDP-NSHDSACASA-N 0 3 316.317 2.351 20 5 DEBDHN CC(COC(=O)c1cc2sc(N(C)C)nc2s1)[N+](=O)[O-] ZINC000813114323 646732712 /nfs/dbraw/zinc/73/27/12/646732712.db2.gz PQJHCNNVRHOCGS-ZCFIWIBFSA-N 0 3 315.376 2.246 20 5 DEBDHN CC(COC(=O)c1ccc2nc(C(F)(F)F)cn2c1)[N+](=O)[O-] ZINC000813114840 646733082 /nfs/dbraw/zinc/73/30/82/646733082.db2.gz HRNFIRYBTYIPNX-SSDOTTSWSA-N 0 3 317.223 2.175 20 5 DEBDHN O=[N+]([O-])c1ccc([C@H](O)CNCc2cnn3ccccc23)cc1 ZINC000731679164 647501604 /nfs/dbraw/zinc/50/16/04/647501604.db2.gz YQXFMCYSRDMXPT-MRXNPFEDSA-N 0 3 312.329 2.066 20 5 DEBDHN CN(C)Cc1cccc(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000819916746 647739480 /nfs/dbraw/zinc/73/94/80/647739480.db2.gz RYEXCAVGCJIQMD-UHFFFAOYSA-N 0 3 314.345 2.491 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000820832316 647928422 /nfs/dbraw/zinc/92/84/22/647928422.db2.gz VWXQPIPFWYYAPW-BXUZGUMPSA-N 0 3 317.389 2.424 20 5 DEBDHN CN1CCC[C@@H](NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000918542486 648086528 /nfs/dbraw/zinc/08/65/28/648086528.db2.gz ZLMHFUWMBXLRRP-SNVBAGLBSA-N 0 3 312.757 2.464 20 5 DEBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000830110275 649395048 /nfs/dbraw/zinc/39/50/48/649395048.db2.gz COMRLBCWIZYEJD-BXKDBHETSA-N 0 3 309.391 2.139 20 5 DEBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000830110277 649395146 /nfs/dbraw/zinc/39/51/46/649395146.db2.gz COMRLBCWIZYEJD-JOYOIKCWSA-N 0 3 309.391 2.139 20 5 DEBDHN CO[C@H]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000831547789 649609228 /nfs/dbraw/zinc/60/92/28/649609228.db2.gz WRXRCZWFPAATAX-GJZGRUSLSA-N 0 3 308.378 2.375 20 5 DEBDHN CC(C)[C@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCN1 ZINC000831599486 649614431 /nfs/dbraw/zinc/61/44/31/649614431.db2.gz PMSPFWWKIHXFFS-GFCCVEGCSA-N 0 3 311.769 2.318 20 5 DEBDHN CCN1C[C@@H](CNCc2cc([N+](=O)[O-])ccc2Cl)CC1=O ZINC000846093856 651307137 /nfs/dbraw/zinc/30/71/37/651307137.db2.gz RLKKJJWVHLIRHP-SNVBAGLBSA-N 0 3 311.769 2.206 20 5 DEBDHN O=C1O[C@@H](CN[C@H]2CCc3c2cccc3[N+](=O)[O-])CN1C1CC1 ZINC000848573712 651473128 /nfs/dbraw/zinc/47/31/28/651473128.db2.gz JFOPCARLHVIDBL-FZMZJTMJSA-N 0 3 317.345 2.155 20 5 DEBDHN C[C@@H]1CCN(CCNC(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000859775593 685820901 /nfs/dbraw/zinc/82/09/01/685820901.db2.gz WOFUKDVVTUDQHR-SNVBAGLBSA-N 0 3 311.769 2.320 20 5 DEBDHN CC(C)[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CCN1 ZINC000862243311 686263539 /nfs/dbraw/zinc/26/35/39/686263539.db2.gz YNBAZWWEXNIBPH-LLVKDONJSA-N 0 3 311.769 2.318 20 5 DEBDHN COC/C(C)=C/CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000929987016 694064976 /nfs/dbraw/zinc/06/49/76/694064976.db2.gz ITAPNQJNBPHAOM-YFTXEMMHSA-N 0 3 306.366 2.069 20 5 DEBDHN C[C@@H]1CCCN1CCNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000865563898 687260789 /nfs/dbraw/zinc/26/07/89/687260789.db2.gz CPKJMKHQBALXFZ-MRVPVSSYSA-N 0 3 321.303 2.243 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CCCN1C(C)C ZINC000930317380 694135269 /nfs/dbraw/zinc/13/52/69/694135269.db2.gz ZYKUJNXQFAQTGP-CQSZACIVSA-N 0 3 321.377 2.092 20 5 DEBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000871763342 688862160 /nfs/dbraw/zinc/86/21/60/688862160.db2.gz DOBQLEZNJNNGJH-ZIAGYGMSSA-N 0 3 304.350 2.295 20 5 DEBDHN CO[C@@H]1COCC[C@H]1CN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872074751 688922112 /nfs/dbraw/zinc/92/21/12/688922112.db2.gz HDLKUIPPKVEKTM-UHIISALHSA-N 0 3 312.341 2.436 20 5 DEBDHN CNC(=O)C[C@@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872075245 688922977 /nfs/dbraw/zinc/92/29/77/688922977.db2.gz BFEINDRCMFCGGA-NXEZZACHSA-N 0 3 311.407 2.492 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNCCNC(=O)c1ccco1 ZINC000873008040 689139989 /nfs/dbraw/zinc/13/99/89/689139989.db2.gz CRSOZBBFANLZBN-UHFFFAOYSA-N 0 3 317.345 2.324 20 5 DEBDHN CCS(=O)(=O)CCCNCc1c(C)ccc([N+](=O)[O-])c1C ZINC000873132575 689166116 /nfs/dbraw/zinc/16/61/16/689166116.db2.gz YEMFXRGWXWPWRT-UHFFFAOYSA-N 0 3 314.407 2.126 20 5 DEBDHN COc1cc(CNC[C@@H]2CC(C)(C)CO2)c([N+](=O)[O-])cc1O ZINC000873155715 689172384 /nfs/dbraw/zinc/17/23/84/689172384.db2.gz JQTLMJOEUZVDAM-NSHDSACASA-N 0 3 310.350 2.214 20 5 DEBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000874827143 689501904 /nfs/dbraw/zinc/50/19/04/689501904.db2.gz BZVBDQMVVYOPAC-KGLIPLIRSA-N 0 3 307.325 2.043 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000874828778 689504441 /nfs/dbraw/zinc/50/44/41/689504441.db2.gz IEKMAXBZAUVEHJ-CHWSQXEVSA-N 0 3 303.362 2.212 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC[C@@H](OCCO)C1 ZINC000876721488 689915527 /nfs/dbraw/zinc/91/55/27/689915527.db2.gz PQXLGDIOLGYRJH-CQSZACIVSA-N 0 3 308.378 2.185 20 5 DEBDHN CC[C@@H](CO)N1CCN(Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000876777545 689934082 /nfs/dbraw/zinc/93/40/82/689934082.db2.gz QURSNMJIZBCULB-HNNXBMFYSA-N 0 3 321.421 2.100 20 5 DEBDHN COc1ccc(OCCN2C[C@@H](OC)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000879320681 690618196 /nfs/dbraw/zinc/61/81/96/690618196.db2.gz KYCJNOHBTSQXHA-JSGCOSHPSA-N 0 3 324.377 2.482 20 5 DEBDHN CC(C)(O)C1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000879625341 690693178 /nfs/dbraw/zinc/69/31/78/690693178.db2.gz AWVVUCVABUPCTJ-UHFFFAOYSA-N 0 3 308.378 2.457 20 5 DEBDHN CC(C)(O)[C@@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000879963097 690768407 /nfs/dbraw/zinc/76/84/07/690768407.db2.gz FTEYIRWLTDPJOI-HIFRSBDPSA-N 0 3 308.378 2.111 20 5 DEBDHN Cc1csc([C@H]2CCN(CCn3c(C)ncc3[N+](=O)[O-])C2)n1 ZINC000880013145 690780922 /nfs/dbraw/zinc/78/09/22/690780922.db2.gz GPURPDVHBSSLCQ-LBPRGKRZSA-N 0 3 321.406 2.354 20 5 DEBDHN CCC1([NH+]2CCC2)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000884717056 691789458 /nfs/dbraw/zinc/78/94/58/691789458.db2.gz QIMLQUPKZZBELJ-UHFFFAOYSA-N 0 3 306.366 2.150 20 5 DEBDHN CN(CCO)CCNc1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC000884826134 691803183 /nfs/dbraw/zinc/80/31/83/691803183.db2.gz KFTMXTGXZHNGKX-UHFFFAOYSA-N 0 3 308.165 2.238 20 5 DEBDHN COC[C@@H](NCc1csc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000886359494 692065988 /nfs/dbraw/zinc/06/59/88/692065988.db2.gz DDCUKZNQRBXHFC-NWDGAFQWSA-N 0 3 300.380 2.188 20 5 DEBDHN C[C@]1([C@H]2CCCN(Cc3ccccc3[N+](=O)[O-])C2)COC(=O)N1 ZINC000932017582 694527823 /nfs/dbraw/zinc/52/78/23/694527823.db2.gz OIRPWVZULGTOJG-XJKSGUPXSA-N 0 3 319.361 2.305 20 5 DEBDHN C[C@@H](NC[C@H](O)C[C@@](C)(O)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000932179238 694568419 /nfs/dbraw/zinc/56/84/19/694568419.db2.gz WNUKDELNKWNCSW-HFBAOOFYSA-N 0 3 308.378 2.157 20 5 DEBDHN CCc1onc(C)c1CNC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000897336723 693021160 /nfs/dbraw/zinc/02/11/60/693021160.db2.gz MTKSYHZZPUXMCN-UHFFFAOYSA-N 0 3 305.338 2.143 20 5 DEBDHN C[C@@H](NC(=O)N[C@@H]1CCN(C)[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000925252412 693247179 /nfs/dbraw/zinc/24/71/79/693247179.db2.gz KKHQAZDFZMCDJL-UHIISALHSA-N 0 3 306.366 2.048 20 5 DEBDHN C[C@H](N[C@H]1C[C@H](O)C12CCOCC2)c1ccccc1[N+](=O)[O-] ZINC000927166903 693563891 /nfs/dbraw/zinc/56/38/91/693563891.db2.gz ZFYKEUVNXMJTLO-CQDKDKBSSA-N 0 3 306.362 2.175 20 5 DEBDHN COc1ccc2c(c1)c(CN)nn2[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169003076 784998793 /nfs/dbraw/zinc/99/87/93/784998793.db2.gz NARFASYHYZTHCQ-WDEREUQCSA-N 0 3 304.350 2.122 20 5 DEBDHN COC(=O)c1ccc2c(c1)CN([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169036051 785011645 /nfs/dbraw/zinc/01/16/45/785011645.db2.gz MUDNGUICZBLLLS-MLGOLLRUSA-N 0 3 318.373 2.277 20 5 DEBDHN NCc1ccc2c(n1)N(c1ccc3ncc([N+](=O)[O-])n3c1)CCC2 ZINC001169592543 785252201 /nfs/dbraw/zinc/25/22/01/785252201.db2.gz WSEBQYURYMZHRT-UHFFFAOYSA-N 0 3 324.344 2.181 20 5 DEBDHN CCc1ccc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)o1 ZINC001130351689 787356816 /nfs/dbraw/zinc/35/68/16/787356816.db2.gz HEVSSEAGEBSSJW-UHFFFAOYSA-N 0 3 317.345 2.270 20 5 DEBDHN CCN(C)C(C)(C)C(=O)NCCNc1cc(C)ccc1[N+](=O)[O-] ZINC001093953301 792658430 /nfs/dbraw/zinc/65/84/30/792658430.db2.gz WFGPEXSMVKVEFF-UHFFFAOYSA-N 0 3 322.409 2.162 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)NCc2ccnnc2)c1F ZINC001173180272 793621077 /nfs/dbraw/zinc/62/10/77/793621077.db2.gz UKOOGECPTICBOX-JTQLQIEISA-N 0 3 320.324 2.253 20 5 DEBDHN COc1ccc(CN[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)nn1 ZINC001173233501 793645796 /nfs/dbraw/zinc/64/57/96/793645796.db2.gz JIMOEMJUHWOEHJ-NSHDSACASA-N 0 3 302.334 2.114 20 5 DEBDHN O=[N+]([O-])c1cccc(-c2nc([C@H]3CN4CCC3CC4)no2)c1 ZINC001116610442 794971690 /nfs/dbraw/zinc/97/16/90/794971690.db2.gz WZLHOJUKGISRAP-ZDUSSCGKSA-N 0 3 300.318 2.454 20 5 DEBDHN CN1C[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC001178709025 794984136 /nfs/dbraw/zinc/98/41/36/794984136.db2.gz JRSAVHSUOGZZNB-CQSZACIVSA-N 0 3 319.405 2.329 20 5 DEBDHN Cc1cc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC001123396099 795906359 /nfs/dbraw/zinc/90/63/59/795906359.db2.gz BLTFGKFDSJDCGI-UHFFFAOYSA-N 0 3 317.345 2.324 20 5 DEBDHN CCCCOCC(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001155987512 797898416 /nfs/dbraw/zinc/89/84/16/797898416.db2.gz QJFNXQQZCRNZBS-UHFFFAOYSA-N 0 3 323.393 2.007 20 5 DEBDHN CC(C)=C(F)C(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001156504022 798017822 /nfs/dbraw/zinc/01/78/22/798017822.db2.gz UXPMWOVXKZOKJO-UHFFFAOYSA-N 0 3 309.341 2.454 20 5 DEBDHN C[C@H](C(=O)N[C@@H]1CN(C)CC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC001156597295 798038657 /nfs/dbraw/zinc/03/86/57/798038657.db2.gz HDMYGFQZEVHWPM-SMDDNHRTSA-N 0 3 305.378 2.155 20 5 DEBDHN CC(C)N1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC001158494822 798416882 /nfs/dbraw/zinc/41/68/82/798416882.db2.gz QXQJIUHLOVZBFE-LBPRGKRZSA-N 0 3 315.377 2.457 20 5 DEBDHN C[C@@H](Nc1nc(Cl)c(Cl)cc1[N+](=O)[O-])[C@@H]1CNCCO1 ZINC001159495539 798571817 /nfs/dbraw/zinc/57/18/17/798571817.db2.gz FVTPLJLWRHYABV-MUWHJKNJSA-N 0 3 321.164 2.085 20 5 DEBDHN CC(C)Oc1nc(Nc2ccc(CN)nc2)ccc1[N+](=O)[O-] ZINC001160405736 798684358 /nfs/dbraw/zinc/68/43/58/798684358.db2.gz LSOQHBUYJLXHPH-UHFFFAOYSA-N 0 3 303.322 2.374 20 5 DEBDHN C[C@@H](N)c1nc2ccccc2n1-c1ncnc(Cl)c1[N+](=O)[O-] ZINC001162760220 799168246 /nfs/dbraw/zinc/16/82/46/799168246.db2.gz MHZRICJNQOQUPX-SSDOTTSWSA-N 0 3 318.724 2.397 20 5 DEBDHN Cc1cc2nc(O[C@@H]3C[NH2+]CCC[C@@H]3F)[n-]c2cc1[N+](=O)[O-] ZINC001217980896 802127576 /nfs/dbraw/zinc/12/75/76/802127576.db2.gz NEMYHTGTWZZWRD-TVQRCGJNSA-N 0 3 308.313 2.248 20 5 DEBDHN Cc1cc2[n-]c(O[C@@H]3C[NH2+]CCC[C@@H]3F)nc2cc1[N+](=O)[O-] ZINC001217980896 802127579 /nfs/dbraw/zinc/12/75/79/802127579.db2.gz NEMYHTGTWZZWRD-TVQRCGJNSA-N 0 3 308.313 2.248 20 5 DEBDHN CC(C)=CC(=O)NCCCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC001233509526 802138403 /nfs/dbraw/zinc/13/84/03/802138403.db2.gz DNUOQQLCUXBLMB-UHFFFAOYSA-N 0 3 305.378 2.499 20 5 DEBDHN O=[N+]([O-])c1cc(CO[C@@H]2CN3CCC2CC3)cc([N+](=O)[O-])c1 ZINC001223486910 802794413 /nfs/dbraw/zinc/79/44/13/802794413.db2.gz DHGGUUIUKLUMEW-CQSZACIVSA-N 0 3 307.306 2.114 20 5 DEBDHN Cc1cc2nc(O[C@H]3C[NH+]4CCC3CC4)[n-]c2cc1[N+](=O)[O-] ZINC001228676186 803393451 /nfs/dbraw/zinc/39/34/51/803393451.db2.gz WYCCVLPJPUEPJA-AWEZNQCLSA-N 0 3 302.334 2.253 20 5 DEBDHN Cc1cc2[n-]c(O[C@H]3C[NH+]4CCC3CC4)nc2cc1[N+](=O)[O-] ZINC001228676186 803393458 /nfs/dbraw/zinc/39/34/58/803393458.db2.gz WYCCVLPJPUEPJA-AWEZNQCLSA-N 0 3 302.334 2.253 20 5 DEBDHN Cc1[n-]c(=O)cc(O[C@@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)c1[N+](=O)[O-] ZINC001228689373 803395789 /nfs/dbraw/zinc/39/57/89/803395789.db2.gz SVJAZXPJGWRWQG-QHBPRCKVSA-N 0 3 307.350 2.113 20 5 DEBDHN Cc1[n-]c(=O)cc(O[C@@H]2[C@@H]3CCC[C@H]2C[N@H+](C)C3)c1[N+](=O)[O-] ZINC001228689373 803395793 /nfs/dbraw/zinc/39/57/93/803395793.db2.gz SVJAZXPJGWRWQG-QHBPRCKVSA-N 0 3 307.350 2.113 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCCCN1C ZINC001346239300 1150957679 /nfs/dbraw/zinc/95/76/79/1150957679.db2.gz SCWJRKWICMTXGB-LBPRGKRZSA-N 0 3 322.365 2.209 20 5 DEBDHN N[C@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C1CCCCC1 ZINC001328521949 1148805915 /nfs/dbraw/zinc/80/59/15/1148805915.db2.gz FROHEZGXSJWJIA-INIZCTEOSA-N 0 3 317.389 2.387 20 5 DEBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC001351044347 1151458598 /nfs/dbraw/zinc/45/85/98/1151458598.db2.gz MAWKEBJIAQUQIS-LBPRGKRZSA-N 0 3 320.393 2.239 20 5 DEBDHN CN1C[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC001472029643 1060378593 /nfs/dbraw/zinc/37/85/93/1060378593.db2.gz SWMRPTFNVNYGNC-ZNMIVQPWSA-N 0 3 317.389 2.155 20 5 DEBDHN CN(C)Cc1cccc(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)c1 ZINC001623745520 1078208508 /nfs/dbraw/zinc/20/85/08/1078208508.db2.gz GRRQJHIAVSXBRE-UHFFFAOYSA-N 0 3 323.740 2.285 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CN(C)CC1(C)C ZINC001635649025 1078455773 /nfs/dbraw/zinc/45/57/73/1078455773.db2.gz MPWJBURSOMOJLF-ZDUSSCGKSA-N 0 3 305.378 2.282 20 5 DEBDHN CCN1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C)C(C)(C)C1 ZINC001639263179 1078603772 /nfs/dbraw/zinc/60/37/72/1078603772.db2.gz LDHDPXJRZRVJLK-CQSZACIVSA-N 0 3 305.378 2.363 20 5 DEBDHN C[C@H]([N@H+](C)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C1(C)CC1 ZINC001589912490 1076530324 /nfs/dbraw/zinc/53/03/24/1076530324.db2.gz YORWELALGJASMM-JTQLQIEISA-N 0 3 316.365 2.395 20 5 DEBDHN C[C@H]([N@@H+](C)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C1(C)CC1 ZINC001589912490 1076530327 /nfs/dbraw/zinc/53/03/27/1076530327.db2.gz YORWELALGJASMM-JTQLQIEISA-N 0 3 316.365 2.395 20 5 DEBDHN C[C@H]([N@H+](C)Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C1(C)CC1 ZINC001589912490 1076530329 /nfs/dbraw/zinc/53/03/29/1076530329.db2.gz YORWELALGJASMM-JTQLQIEISA-N 0 3 316.365 2.395 20 5 DEBDHN C[C@H]([N@@H+](C)Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C1(C)CC1 ZINC001589912490 1076530332 /nfs/dbraw/zinc/53/03/32/1076530332.db2.gz YORWELALGJASMM-JTQLQIEISA-N 0 3 316.365 2.395 20 5 DEBDHN C[C@@H]1C[C@H](C)C[N@H+]1Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590191057 1076579961 /nfs/dbraw/zinc/57/99/61/1076579961.db2.gz OQJRJDZAJUXCID-VHSXEESVSA-N 0 3 302.338 2.005 20 5 DEBDHN C[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590191057 1076579967 /nfs/dbraw/zinc/57/99/67/1076579967.db2.gz OQJRJDZAJUXCID-VHSXEESVSA-N 0 3 302.338 2.005 20 5 DEBDHN C[C@@H]1C[C@H](C)C[N@H+]1Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590191057 1076579969 /nfs/dbraw/zinc/57/99/69/1076579969.db2.gz OQJRJDZAJUXCID-VHSXEESVSA-N 0 3 302.338 2.005 20 5 DEBDHN C[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590191057 1076579972 /nfs/dbraw/zinc/57/99/72/1076579972.db2.gz OQJRJDZAJUXCID-VHSXEESVSA-N 0 3 302.338 2.005 20 5 DEBDHN C[N@@H+](Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])CC1CCCC1 ZINC001591126460 1076710078 /nfs/dbraw/zinc/71/00/78/1076710078.db2.gz WSVSZKFAIVINQG-UHFFFAOYSA-N 0 3 316.365 2.397 20 5 DEBDHN C[N@H+](Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])CC1CCCC1 ZINC001591126460 1076710079 /nfs/dbraw/zinc/71/00/79/1076710079.db2.gz WSVSZKFAIVINQG-UHFFFAOYSA-N 0 3 316.365 2.397 20 5 DEBDHN C[N@@H+](Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])CC1CCCC1 ZINC001591126460 1076710080 /nfs/dbraw/zinc/71/00/80/1076710080.db2.gz WSVSZKFAIVINQG-UHFFFAOYSA-N 0 3 316.365 2.397 20 5 DEBDHN C[N@H+](Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])CC1CCCC1 ZINC001591126460 1076710082 /nfs/dbraw/zinc/71/00/82/1076710082.db2.gz WSVSZKFAIVINQG-UHFFFAOYSA-N 0 3 316.365 2.397 20 5 DEBDHN NC(=O)[C@@H]1CCCC[C@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC001653213907 1079917049 /nfs/dbraw/zinc/91/70/49/1079917049.db2.gz USFAEJMSFQOWRZ-DGCLKSJQSA-N 0 3 311.769 2.382 20 5 DEBDHN CC(C)C1(O)CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001660626520 1080369787 /nfs/dbraw/zinc/36/97/87/1080369787.db2.gz QGNNDQHTDHZFJA-HNNXBMFYSA-N 0 3 308.378 2.111 20 5 DEBDHN COC1(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC001336709126 1142540420 /nfs/dbraw/zinc/54/04/20/1142540420.db2.gz RHGRCRWALDLDHW-UHFFFAOYSA-N 0 3 305.378 2.286 20 5 DEBDHN COC(=O)[C@@H]1CCCN([C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254550721 1143244672 /nfs/dbraw/zinc/24/46/72/1143244672.db2.gz PLQBRBSTLYLSCP-TZMCWYRMSA-N 0 3 306.362 2.411 20 5 DEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC2(CC1)OCCO2 ZINC001254553839 1143246338 /nfs/dbraw/zinc/24/63/38/1143246338.db2.gz ZRBROCBHUTZDLQ-CYBMUJFWSA-N 0 3 306.362 2.365 20 5 DEBDHN Cc1c(CC(=O)N2[C@H](C)CN[C@@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC001341030802 1143525567 /nfs/dbraw/zinc/52/55/67/1143525567.db2.gz UKWWDTUNJOSNRI-KGYLQXTDSA-N 0 3 305.378 2.043 20 5 DEBDHN Cc1c(CC(=O)N2[C@H](C)CN[C@@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC001341030805 1143525885 /nfs/dbraw/zinc/52/58/85/1143525885.db2.gz UKWWDTUNJOSNRI-WXHSDQCUSA-N 0 3 305.378 2.043 20 5 DEBDHN CN1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C(C)(C)C1 ZINC001303990444 1144819052 /nfs/dbraw/zinc/81/90/52/1144819052.db2.gz XYEUXMDJWRZLNM-LBPRGKRZSA-N 0 3 311.769 2.318 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCCC[C@H]1[C@@H]1CCCO1 ZINC001308159018 1147449148 /nfs/dbraw/zinc/44/91/48/1147449148.db2.gz FZUUJDHTGXWJQR-KBPBESRZSA-N 0 3 308.382 2.133 20 5 DEBDHN COCCN1CCC(Nc2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000278362517 214117347 /nfs/dbraw/zinc/11/73/47/214117347.db2.gz KKSPRXUHMXCISO-UHFFFAOYSA-N 0 3 320.393 2.086 20 5 DEBDHN CS[C@H]1CN(C(=O)c2c(C)cccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000278859544 295671179 /nfs/dbraw/zinc/67/11/79/295671179.db2.gz XBFUXABLKBEHJS-STQMWFEESA-N 0 3 323.418 2.021 20 5 DEBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NCCN1CC=C(C)CC1 ZINC000302150082 529932822 /nfs/dbraw/zinc/93/28/22/529932822.db2.gz LEMORJIAZBHTNL-UHFFFAOYSA-N 0 3 318.377 2.018 20 5 DEBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])NC[C@@H](O)C(F)(F)F ZINC000616363006 362836418 /nfs/dbraw/zinc/83/64/18/362836418.db2.gz RQDAEGRVACDEKQ-BXKDBHETSA-N 0 3 306.284 2.429 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000171453375 186162193 /nfs/dbraw/zinc/16/21/93/186162193.db2.gz HBHCSPPUXDFPTC-AWEZNQCLSA-N 0 3 303.362 2.214 20 5 DEBDHN CC(C)[C@@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)CCN1C ZINC000617000682 362987107 /nfs/dbraw/zinc/98/71/07/362987107.db2.gz MGFJQQYXQTYMBB-HNNXBMFYSA-N 0 3 315.377 2.314 20 5 DEBDHN O=C([C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1)N1CCCC1 ZINC000331748484 234079482 /nfs/dbraw/zinc/07/94/82/234079482.db2.gz YJUCNXACYAIDGX-OAHLLOKOSA-N 0 3 317.389 2.429 20 5 DEBDHN C[C@H]([C@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000173394912 198210025 /nfs/dbraw/zinc/21/00/25/198210025.db2.gz GLKGACGIEURZAG-MELADBBJSA-N 0 3 307.394 2.355 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N(C)CC2CCN(C)CC2)c1 ZINC000173531485 198224651 /nfs/dbraw/zinc/22/46/51/198224651.db2.gz HYNPQRHZPYMQDA-UHFFFAOYSA-N 0 3 305.378 2.317 20 5 DEBDHN C[C@@H](CN1CCCCC1)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000027770708 354095585 /nfs/dbraw/zinc/09/55/85/354095585.db2.gz WBOPJAIJBGVNPA-ZDUSSCGKSA-N 0 3 305.378 2.128 20 5 DEBDHN O=[N+]([O-])c1c(F)cccc1N1CCN(c2ccncc2)CC1 ZINC000057136513 354557303 /nfs/dbraw/zinc/55/73/03/354557303.db2.gz LZEYUWSFBXCJIN-UHFFFAOYSA-N 0 3 302.309 2.456 20 5 DEBDHN CCN1CCN(CCNc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000058734056 354597039 /nfs/dbraw/zinc/59/70/39/354597039.db2.gz XXYRAFUETIDCCY-UHFFFAOYSA-N 0 3 312.801 2.298 20 5 DEBDHN C[C@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)N1CCC[C@H](C)C1 ZINC000063756333 354655733 /nfs/dbraw/zinc/65/57/33/354655733.db2.gz CLTLHPPFUPQXJZ-NWDGAFQWSA-N 0 3 320.393 2.027 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCC[C@H](C)C1 ZINC000067164647 354749929 /nfs/dbraw/zinc/74/99/29/354749929.db2.gz QLEVHKKSLNLCRQ-LBPRGKRZSA-N 0 3 305.378 2.365 20 5 DEBDHN CCCN1CC[C@H](NC(=O)NCc2cccc([N+](=O)[O-])c2C)C1 ZINC000595587653 358493429 /nfs/dbraw/zinc/49/34/29/358493429.db2.gz JLJRGVGHZWQDBV-AWEZNQCLSA-N 0 3 320.393 2.187 20 5 DEBDHN O=[N+]([O-])c1cc2c(cc1CNC[C@H]1CCCC[C@@H]1O)OCCO2 ZINC000077465506 355206588 /nfs/dbraw/zinc/20/65/88/355206588.db2.gz RHZWRERIJBUXNQ-RISCZKNCSA-N 0 3 322.361 2.007 20 5 DEBDHN COc1cc(NC2CCN([C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000089603289 355538648 /nfs/dbraw/zinc/53/86/48/355538648.db2.gz WBCUMOXPKTXPOH-CQSZACIVSA-N 0 3 321.377 2.269 20 5 DEBDHN CCN(CCn1cc([N+](=O)[O-])ccc1=O)Cc1cccc(F)c1 ZINC000090512414 355561902 /nfs/dbraw/zinc/56/19/02/355561902.db2.gz VUNFNRLAYHDUKA-UHFFFAOYSA-N 0 3 319.336 2.418 20 5 DEBDHN COC(=O)[C@H](C)CN(CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000171298808 356000037 /nfs/dbraw/zinc/00/00/37/356000037.db2.gz OAKHPSVGDQPNIC-GFCCVEGCSA-N 0 3 322.361 2.247 20 5 DEBDHN COCCO[C@@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000179364072 356023436 /nfs/dbraw/zinc/02/34/36/356023436.db2.gz NGWHDQSROWUFOV-MRXNPFEDSA-N 0 3 324.377 2.101 20 5 DEBDHN CC[C@@H](NCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CCCO1 ZINC000182316745 356120499 /nfs/dbraw/zinc/12/04/99/356120499.db2.gz OJICPKPPTWJLAB-UKRRQHHQSA-N 0 3 321.377 2.389 20 5 DEBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000080771287 192189969 /nfs/dbraw/zinc/18/99/69/192189969.db2.gz VNYODAOVPCMNEV-RISCZKNCSA-N 0 3 306.366 2.399 20 5 DEBDHN COC[C@@](C)(O)CN[C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000581418670 357183906 /nfs/dbraw/zinc/18/39/06/357183906.db2.gz LIQRLHCSNLAOTI-HOTGVXAUSA-N 0 3 308.378 2.349 20 5 DEBDHN CC1(C)CNCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000591678336 357750951 /nfs/dbraw/zinc/75/09/51/357750951.db2.gz ORZXRCBMEAAYCM-UHFFFAOYSA-N 0 3 311.769 2.001 20 5 DEBDHN CN(C[C@H]1CCCN(C)C1)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593470137 358085916 /nfs/dbraw/zinc/08/59/16/358085916.db2.gz PXPKVABRXMJQFY-LBPRGKRZSA-N 0 3 323.368 2.077 20 5 DEBDHN C[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1cccc([N+](=O)[O-])c1 ZINC000180396030 199153438 /nfs/dbraw/zinc/15/34/38/199153438.db2.gz CZCBPXKUEFTITE-SNVBAGLBSA-N 0 3 305.294 2.050 20 5 DEBDHN Cc1csc(=O)n1CCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180419020 199156230 /nfs/dbraw/zinc/15/62/30/199156230.db2.gz NLDXEUWHUNQGJB-LLVKDONJSA-N 0 3 307.375 2.477 20 5 DEBDHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)c1ccc(F)cc1[N+](=O)[O-] ZINC000594195180 358220844 /nfs/dbraw/zinc/22/08/44/358220844.db2.gz CUAQIGDJEGZKNU-ZIAGYGMSSA-N 0 3 321.352 2.481 20 5 DEBDHN O=C(N[C@H]1CCCN2CCCC[C@H]12)c1ccc(F)cc1[N+](=O)[O-] ZINC000594195178 358220872 /nfs/dbraw/zinc/22/08/72/358220872.db2.gz CUAQIGDJEGZKNU-UONOGXRCSA-N 0 3 321.352 2.481 20 5 DEBDHN COc1cc(CN[C@@H]2CC[N@@H+](C(C)(C)C)C2)c([N+](=O)[O-])cc1[O-] ZINC000594957194 358368668 /nfs/dbraw/zinc/36/86/68/358368668.db2.gz PNSATCVFJNSXHN-GFCCVEGCSA-N 0 3 323.393 2.271 20 5 DEBDHN COc1cc(CN[C@@H]2CC[N@H+](C(C)(C)C)C2)c([N+](=O)[O-])cc1[O-] ZINC000594957194 358368671 /nfs/dbraw/zinc/36/86/71/358368671.db2.gz PNSATCVFJNSXHN-GFCCVEGCSA-N 0 3 323.393 2.271 20 5 DEBDHN CCNC(=O)C(C)(C)CN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595030714 358381072 /nfs/dbraw/zinc/38/10/72/358381072.db2.gz URUHIPMJJZHDHW-LLVKDONJSA-N 0 3 323.393 2.416 20 5 DEBDHN C[C@@H](CO)[C@@H]1CCCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000595678645 358519972 /nfs/dbraw/zinc/51/99/72/358519972.db2.gz SBKXTRMYVMSQGG-BBRMVZONSA-N 0 3 308.378 2.457 20 5 DEBDHN COCCN1CCC(Nc2cc(OC)c(C)cc2[N+](=O)[O-])CC1 ZINC000596090703 358608634 /nfs/dbraw/zinc/60/86/34/358608634.db2.gz TUTBOZRHIKPOQY-UHFFFAOYSA-N 0 3 323.393 2.435 20 5 DEBDHN CCCN1CC[C@H](NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)C1 ZINC000598341814 359169049 /nfs/dbraw/zinc/16/90/49/359169049.db2.gz GKGMHMUOWZIAJV-ZDUSSCGKSA-N 0 3 321.377 2.126 20 5 DEBDHN CC(C)[C@@H]1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCN1 ZINC000598569692 359244774 /nfs/dbraw/zinc/24/47/74/359244774.db2.gz CPCNIEHPBPXRLT-ZDUSSCGKSA-N 0 3 316.361 2.146 20 5 DEBDHN CC1(C)C[C@H](N[C@@H]2CCOC[C@H]2O)c2cc([N+](=O)[O-])ccc21 ZINC000599079977 359397693 /nfs/dbraw/zinc/39/76/93/359397693.db2.gz IBHSTTIOMLZGSG-QLFBSQMISA-N 0 3 306.362 2.057 20 5 DEBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N(C)CCN(C)C2CC2)c1 ZINC000186806329 200013995 /nfs/dbraw/zinc/01/39/95/200013995.db2.gz MVBPTBGYWXMAGE-UHFFFAOYSA-N 0 3 323.418 2.483 20 5 DEBDHN CCN(C(=O)CCc1cccc([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000599986747 359629724 /nfs/dbraw/zinc/62/97/24/359629724.db2.gz YXDVIUFYDVNSEI-UHFFFAOYSA-N 0 3 319.405 2.470 20 5 DEBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000187313955 200094131 /nfs/dbraw/zinc/09/41/31/200094131.db2.gz XTYNGQVSEYNWNQ-NWDGAFQWSA-N 0 3 320.393 2.027 20 5 DEBDHN CC[C@@]1(CO)CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000187556229 200127554 /nfs/dbraw/zinc/12/75/54/200127554.db2.gz URPRYQTZDKVYAU-MRXNPFEDSA-N 0 3 308.378 2.458 20 5 DEBDHN Cn1cc(CNC[C@@H]2CCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237925877 202393904 /nfs/dbraw/zinc/39/39/04/202393904.db2.gz UECSTMKPXAFJCY-HNNXBMFYSA-N 0 3 316.361 2.264 20 5 DEBDHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)c1c(F)cccc1[N+](=O)[O-] ZINC000601662929 360104307 /nfs/dbraw/zinc/10/43/07/360104307.db2.gz VNPCXSGOIBBVGN-CHWSQXEVSA-N 0 3 321.352 2.481 20 5 DEBDHN CN1CC[C@@]2(C1)CCCN(C(=O)c1c(F)cccc1[N+](=O)[O-])C2 ZINC000601612255 360087079 /nfs/dbraw/zinc/08/70/79/360087079.db2.gz MZSRTVWFFSWFQJ-MRXNPFEDSA-N 0 3 321.352 2.292 20 5 DEBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNCC1(CO)CC1 ZINC000602563051 360434570 /nfs/dbraw/zinc/43/45/70/360434570.db2.gz DHKPEPRJEYICHG-UHFFFAOYSA-N 0 3 304.268 2.476 20 5 DEBDHN C[C@H]1COCC[C@@H]1CNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602653046 360477492 /nfs/dbraw/zinc/47/74/92/360477492.db2.gz GZIBICPEBBLMIF-WDEREUQCSA-N 0 3 305.334 2.498 20 5 DEBDHN Cc1n[nH]cc1C1CCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602824912 360573927 /nfs/dbraw/zinc/57/39/27/360573927.db2.gz FBROQHZYBIKSGU-UHFFFAOYSA-N 0 3 318.381 2.011 20 5 DEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCc2ccccc2)c1 ZINC000603824363 360863155 /nfs/dbraw/zinc/86/31/55/360863155.db2.gz WNPFPDWXXJHBIJ-OAHLLOKOSA-N 0 3 302.330 2.124 20 5 DEBDHN C[C@H](NC[C@@H]1CNc2ccnn2C1)c1cccc([N+](=O)[O-])c1 ZINC000609406075 361309644 /nfs/dbraw/zinc/30/96/44/361309644.db2.gz IQIPSAWLCINWLP-NWDGAFQWSA-N 0 3 301.350 2.184 20 5 DEBDHN CC[C@H](C)[C@](C)(O)CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000609571478 361321178 /nfs/dbraw/zinc/32/11/78/361321178.db2.gz JMBLFOFMHVVEGX-MEDUHNTESA-N 0 3 324.377 2.253 20 5 DEBDHN CC[C@@H](CN1CCCC1)NC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000609878230 361346188 /nfs/dbraw/zinc/34/61/88/361346188.db2.gz TYXDKIOQXATOJY-ZDUSSCGKSA-N 0 3 321.377 2.208 20 5 DEBDHN C[C@H]1CN(c2ccsc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000611204575 361547379 /nfs/dbraw/zinc/54/73/79/361547379.db2.gz ZOCPBKSLWVCJIM-STQMWFEESA-N 0 3 324.450 2.119 20 5 DEBDHN COc1ccc(NC(=O)CCN2CC=CCC2)c([N+](=O)[O-])c1 ZINC000611517543 361621496 /nfs/dbraw/zinc/62/14/96/361621496.db2.gz NMEMLDRGGDSISZ-UHFFFAOYSA-N 0 3 305.334 2.194 20 5 DEBDHN C[C@H]1COCCCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000619719712 363864777 /nfs/dbraw/zinc/86/47/77/363864777.db2.gz YOWIBJVCKXVZTB-LBPRGKRZSA-N 0 3 307.350 2.034 20 5 DEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCc1ccnc(N(C)C)n1 ZINC000449246264 240251934 /nfs/dbraw/zinc/25/19/34/240251934.db2.gz DCFYWTJZMCLPSO-LBPRGKRZSA-N 0 3 315.377 2.172 20 5 DEBDHN C[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC1)c1ccccc1[N+](=O)[O-] ZINC000340618422 299361295 /nfs/dbraw/zinc/36/12/95/299361295.db2.gz GIMUSQLEZIPMLF-WNMQOVRZSA-N 0 3 303.362 2.303 20 5 DEBDHN C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c3nonc32)CN1C1CC1 ZINC000267868958 206313033 /nfs/dbraw/zinc/31/30/33/206313033.db2.gz LDJYYGYXXVBNSJ-BDAKNGLRSA-N 0 3 303.322 2.168 20 5 DEBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@H]2[C@@H]2CCCO2)c1 ZINC000284781321 218174491 /nfs/dbraw/zinc/17/44/91/218174491.db2.gz NJXBPQWGVJWQQP-XHSDSOJGSA-N 0 3 306.362 2.272 20 5 DEBDHN CCN1CCN([C@H](C)CNc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000059389441 184138117 /nfs/dbraw/zinc/13/81/17/184138117.db2.gz LLORFIKGFVEVDS-GFCCVEGCSA-N 0 3 310.373 2.172 20 5 DEBDHN C[C@]1(NC[C@@H](O)c2cccc([N+](=O)[O-])c2)CCO[C@@H]1C1CC1 ZINC000273014242 210393114 /nfs/dbraw/zinc/39/31/14/210393114.db2.gz CNJOVGBGRPANHM-OAGGEKHMSA-N 0 3 306.362 2.175 20 5 DEBDHN C[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C1=CCN(C)CC1 ZINC000272954815 210342367 /nfs/dbraw/zinc/34/23/67/210342367.db2.gz MYULFGRDJHLNES-OQHXTRMZSA-N 0 3 315.373 2.375 20 5 DEBDHN CCN1CCCN(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000272891241 210281605 /nfs/dbraw/zinc/28/16/05/210281605.db2.gz YOBNWQJQHFXYLL-UHFFFAOYSA-N 0 3 322.365 2.163 20 5 DEBDHN CCC[C@]1(CO)CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000288711090 220362777 /nfs/dbraw/zinc/36/27/77/220362777.db2.gz FHBPFYVDMMAHLS-INIZCTEOSA-N 0 3 308.378 2.458 20 5 DEBDHN CCC[C@@]1(CO)CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000288711091 220363238 /nfs/dbraw/zinc/36/32/38/220363238.db2.gz FHBPFYVDMMAHLS-MRXNPFEDSA-N 0 3 308.378 2.458 20 5 DEBDHN O=[N+]([O-])c1ccccc1N1CCN(CCCn2ccnc2)CC1 ZINC000182624950 285163534 /nfs/dbraw/zinc/16/35/34/285163534.db2.gz UIURQFVOBRTWOS-UHFFFAOYSA-N 0 3 315.377 2.004 20 5 DEBDHN O=[N+]([O-])c1ccn(CCN2CC[C@@H](c3ccc(F)cc3)C2)n1 ZINC000268015654 285167669 /nfs/dbraw/zinc/16/76/69/285167669.db2.gz HXMFZYITELFABZ-CYBMUJFWSA-N 0 3 304.325 2.420 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000444935434 533142061 /nfs/dbraw/zinc/14/20/61/533142061.db2.gz FCVXRSYBYKZUQE-JQWIXIFHSA-N 0 3 322.365 2.208 20 5 DEBDHN C[C@@H](C(=O)N1CC[C@H](N2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000558689880 291902134 /nfs/dbraw/zinc/90/21/34/291902134.db2.gz LEWCNJUNENHFFS-CJNGLKHVSA-N 0 3 317.389 2.395 20 5 DEBDHN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CC1CCOCC1 ZINC000156096956 197086247 /nfs/dbraw/zinc/08/62/47/197086247.db2.gz YARKPNGXJJCWNW-LBPRGKRZSA-N 0 3 321.377 2.280 20 5 DEBDHN COc1ccc(NC(=O)[C@H](C)NC2(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000542521758 285230947 /nfs/dbraw/zinc/23/09/47/285230947.db2.gz PGVRCQMUJGOALN-JTQLQIEISA-N 0 3 319.361 2.463 20 5 DEBDHN COC[C@@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C(C)C ZINC000543455218 285288504 /nfs/dbraw/zinc/28/85/04/285288504.db2.gz UYJGFILRHYITQC-SMDDNHRTSA-N 0 3 309.366 2.182 20 5 DEBDHN O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CC[C@@H](N2CCCC2)C1 ZINC000543691618 285303074 /nfs/dbraw/zinc/30/30/74/285303074.db2.gz JUJNDRZZJLVMDU-GFCCVEGCSA-N 0 3 322.340 2.436 20 5 DEBDHN C[C@H](CO[C@H]1CCOC1)N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294946577 224330878 /nfs/dbraw/zinc/33/08/78/224330878.db2.gz YFMZFKYZKDPRGI-WZRBSPASSA-N 0 3 309.366 2.022 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@H]1CC[C@H](CO)O1)CCC2 ZINC000340413637 131702498 /nfs/dbraw/zinc/70/24/98/131702498.db2.gz QPVOUUKCJJMFKU-IIAWOOMASA-N 0 3 306.362 2.102 20 5 DEBDHN CSC1(CNC(=O)c2cccc([N+](=O)[O-])c2)CCN(C)CC1 ZINC000355439079 133026981 /nfs/dbraw/zinc/02/69/81/133026981.db2.gz FWSWUJBYMBQLNJ-UHFFFAOYSA-N 0 3 323.418 2.152 20 5 DEBDHN C[C@H](NC[C@@H]1CN2CCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000368536886 133277454 /nfs/dbraw/zinc/27/74/54/133277454.db2.gz FLROCLRCMSMQHU-VBNZEHGJSA-N 0 3 305.378 2.109 20 5 DEBDHN CCO[C@H]1C[C@@H]1NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000564808046 292111710 /nfs/dbraw/zinc/11/17/10/292111710.db2.gz BCXLYNGZVKZKAJ-GJZGRUSLSA-N 0 3 316.361 2.262 20 5 DEBDHN CCOc1cccc(NC[C@H]2CN3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000322346235 145378828 /nfs/dbraw/zinc/37/88/28/145378828.db2.gz CIXWKJIYAYCLEU-OLZOCXBDSA-N 0 3 321.377 2.269 20 5 DEBDHN CCN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C[C@@H](C)O ZINC000348709768 146299719 /nfs/dbraw/zinc/29/97/19/146299719.db2.gz NGCSZKUBOVNEQO-GFCCVEGCSA-N 0 3 318.377 2.198 20 5 DEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC(C2CCC2)C1 ZINC000348966172 146334816 /nfs/dbraw/zinc/33/48/16/146334816.db2.gz NYMYOBDFHOCBDR-AWEZNQCLSA-N 0 3 306.362 2.066 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCOC[C@H](C)C1 ZINC000374368611 148237726 /nfs/dbraw/zinc/23/77/26/148237726.db2.gz VOQYGZPLOIHMSL-GFCCVEGCSA-N 0 3 321.377 2.200 20 5 DEBDHN CCCCN(C)CCNC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000112309920 401738362 /nfs/dbraw/zinc/73/83/62/401738362.db2.gz RLJYMEIRTBVEDI-UHFFFAOYSA-N 0 3 309.366 2.065 20 5 DEBDHN CC[C@H]1CCCCN1CCNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000113198670 401769782 /nfs/dbraw/zinc/76/97/82/401769782.db2.gz RDOYTPIFEBLZGJ-ZDUSSCGKSA-N 0 3 320.393 2.293 20 5 DEBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@@H](C3OCCO3)C2)cc1 ZINC000076293565 401789152 /nfs/dbraw/zinc/78/91/52/401789152.db2.gz MNOVDRPMNORLQX-CYBMUJFWSA-N 0 3 322.361 2.059 20 5 DEBDHN COc1cc(C[NH2+]CC2(O)CCCCCC2)c([N+](=O)[O-])cc1[O-] ZINC000117947071 401888622 /nfs/dbraw/zinc/88/86/22/401888622.db2.gz NXCVBYKFDPKGEQ-UHFFFAOYSA-N 0 3 324.377 2.484 20 5 DEBDHN CS[C@@H]1CCCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000134604182 401907880 /nfs/dbraw/zinc/90/78/80/401907880.db2.gz FBLVHNCJERACSB-CYBMUJFWSA-N 0 3 323.418 2.411 20 5 DEBDHN O=C(NC[C@H]1CCN(C2CC2)C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000136565259 401969588 /nfs/dbraw/zinc/96/95/88/401969588.db2.gz RFAJHZYQHGKFSM-SNVBAGLBSA-N 0 3 323.780 2.462 20 5 DEBDHN COC[C@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000136639215 401970696 /nfs/dbraw/zinc/97/06/96/401970696.db2.gz OBAHDXHFNDCUEO-FZMZJTMJSA-N 0 3 321.377 2.245 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000121058954 402012503 /nfs/dbraw/zinc/01/25/03/402012503.db2.gz CNVXFVXNRMPHQO-SWLSCSKDSA-N 0 3 305.378 2.315 20 5 DEBDHN CC(C)CN1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000051124536 402032136 /nfs/dbraw/zinc/03/21/36/402032136.db2.gz QYSBTUHDLOFMEZ-UHFFFAOYSA-N 0 3 307.394 2.247 20 5 DEBDHN COc1ccc(OCCN2[C@@H](C)CCC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000122351764 402074329 /nfs/dbraw/zinc/07/43/29/402074329.db2.gz GZHGLGVAARIOQI-STQMWFEESA-N 0 3 324.377 2.218 20 5 DEBDHN CC(C)(C)CN(CCCO)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154156663 402195926 /nfs/dbraw/zinc/19/59/26/402195926.db2.gz ZKVXHIRAKXCHAU-OAHLLOKOSA-N 0 3 310.394 2.359 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1CN(C)C ZINC000067614531 402165295 /nfs/dbraw/zinc/16/52/95/402165295.db2.gz CDKPNMNTXSMWSE-CQSZACIVSA-N 0 3 305.378 2.460 20 5 DEBDHN CSc1ccc(C(=O)NC[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000108343919 402251021 /nfs/dbraw/zinc/25/10/21/402251021.db2.gz NIIICWYUHKRMRW-NSHDSACASA-N 0 3 323.418 2.388 20 5 DEBDHN Cc1ccc(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000177079518 402367481 /nfs/dbraw/zinc/36/74/81/402367481.db2.gz JXENZFYOOSKUGR-WCQYABFASA-N 0 3 303.362 2.258 20 5 DEBDHN C[C@H]1C[C@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000177105506 402370205 /nfs/dbraw/zinc/37/02/05/402370205.db2.gz KDQPLCZIJVUKFS-RCDMQAKVSA-N 0 3 315.373 2.349 20 5 DEBDHN Cc1c(NC(=O)[C@H](C)N[C@H](CCO)C(C)C)cccc1[N+](=O)[O-] ZINC000162046302 402407928 /nfs/dbraw/zinc/40/79/28/402407928.db2.gz RIBORPDVUBLRSN-QWHCGFSZSA-N 0 3 323.393 2.227 20 5 DEBDHN Cc1c(CN2CCN(C[C@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000178494651 402504141 /nfs/dbraw/zinc/50/41/41/402504141.db2.gz SMTCSCJCNVXWMQ-OAHLLOKOSA-N 0 3 319.405 2.057 20 5 DEBDHN Cc1c(NC(=O)CCN2CCCO[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000170774659 402523437 /nfs/dbraw/zinc/52/34/37/402523437.db2.gz FXQCJIYCJKFGFP-LBPRGKRZSA-N 0 3 321.377 2.343 20 5 DEBDHN CC[C@H](CNc1ncc(C(=O)OC)cc1[N+](=O)[O-])N1CCCC1 ZINC000190167607 402580671 /nfs/dbraw/zinc/58/06/71/402580671.db2.gz NYVSQAJTUOYRLT-GFCCVEGCSA-N 0 3 322.365 2.063 20 5 DEBDHN O=[N+]([O-])c1cccc(CN2CCN(CC3CCOCC3)CC2)c1 ZINC000171826404 402626660 /nfs/dbraw/zinc/62/66/60/402626660.db2.gz NFKIMNDIHGTPIR-UHFFFAOYSA-N 0 3 319.405 2.139 20 5 DEBDHN CC[C@H](C)[C@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182222100 402674063 /nfs/dbraw/zinc/67/40/63/402674063.db2.gz ZOSOOKWKDZOZQD-RYUDHWBXSA-N 0 3 314.407 2.393 20 5 DEBDHN C[C@@H](CNC(=O)/C=C\c1ccccc1[N+](=O)[O-])N(C)C1CC1 ZINC000255126088 402679738 /nfs/dbraw/zinc/67/97/38/402679738.db2.gz OAMVIMIYKCCNFK-UMAGTOLTSA-N 0 3 303.362 2.207 20 5 DEBDHN CN(C(=O)/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CCCN(C)C1 ZINC000255180339 402681351 /nfs/dbraw/zinc/68/13/51/402681351.db2.gz XMDKITATKYACRM-CFYYFVFUSA-N 0 3 303.362 2.161 20 5 DEBDHN CCOc1ccc([C@@H](C)NCC(C)(C)C(=O)NC)cc1[N+](=O)[O-] ZINC000183221702 402748692 /nfs/dbraw/zinc/74/86/92/402748692.db2.gz AWDPADLXDMYHDL-LLVKDONJSA-N 0 3 323.393 2.416 20 5 DEBDHN CN1C[C@@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCC1=O ZINC000192883603 402754862 /nfs/dbraw/zinc/75/48/62/402754862.db2.gz BJPMJNDSADCUEJ-WFASDCNBSA-N 0 3 303.362 2.183 20 5 DEBDHN CS[C@@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)C[C@H]1N(C)C ZINC000278427664 402866484 /nfs/dbraw/zinc/86/64/84/402866484.db2.gz PGIRTLJYJNVKOQ-ZIAGYGMSSA-N 0 3 322.434 2.045 20 5 DEBDHN COc1ccc(CNCCCn2ccnc2C)cc1[N+](=O)[O-] ZINC000264342909 402869711 /nfs/dbraw/zinc/86/97/11/402869711.db2.gz OCABWLFRSPCGLD-UHFFFAOYSA-N 0 3 304.350 2.288 20 5 DEBDHN CN1CC[C@H]2CCN(C(=O)CCc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000272562810 402953525 /nfs/dbraw/zinc/95/35/25/402953525.db2.gz ULGFHNGZPFASRH-GOEBONIOSA-N 0 3 317.389 2.080 20 5 DEBDHN CCc1ccc(C(=O)NC2CCN(CC)CC2)cc1[N+](=O)[O-] ZINC000266938132 403001408 /nfs/dbraw/zinc/00/14/08/403001408.db2.gz PMVWHQZTPDCGPK-UHFFFAOYSA-N 0 3 305.378 2.371 20 5 DEBDHN COc1ccccc1[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000267098173 403015139 /nfs/dbraw/zinc/01/51/39/403015139.db2.gz SQISHMAKPWZDSV-ZDUSSCGKSA-N 0 3 316.361 2.289 20 5 DEBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1Nc1c([N+](=O)[O-])ncn1C ZINC000274146898 403030954 /nfs/dbraw/zinc/03/09/54/403030954.db2.gz ICQJGYWEBLHCEY-TZMCWYRMSA-N 0 3 315.377 2.261 20 5 DEBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@H](CO)c2ccc(F)cc2)c1 ZINC000273137146 402975763 /nfs/dbraw/zinc/97/57/63/402975763.db2.gz SUMGNHYJSOAZGW-HZPDHXFCSA-N 0 3 320.320 2.091 20 5 DEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2c1nc2sccn2c1[N+](=O)[O-] ZINC000267523160 403039206 /nfs/dbraw/zinc/03/92/06/403039206.db2.gz GVPGAGHHCVQEQD-MNOVXSKESA-N 0 3 321.406 2.367 20 5 DEBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000268095218 403048057 /nfs/dbraw/zinc/04/80/57/403048057.db2.gz CEZQVWYGWCVYPY-HZMBPMFUSA-N 0 3 304.350 2.199 20 5 DEBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000268189590 403059743 /nfs/dbraw/zinc/05/97/43/403059743.db2.gz MRAHVAMNULYQLU-LKFCYVNXSA-N 0 3 323.780 2.461 20 5 DEBDHN CC(C)c1n[nH]c(C(=O)NCCN2CCCCCC2)c1[N+](=O)[O-] ZINC000269410964 403137469 /nfs/dbraw/zinc/13/74/69/403137469.db2.gz VLAZJYSZTIGTRK-UHFFFAOYSA-N 0 3 323.397 2.047 20 5 DEBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@H](c3ncc[nH]3)C2)c1 ZINC000269663573 403155151 /nfs/dbraw/zinc/15/51/51/403155151.db2.gz REPSGDNTDXPBOE-ZFWWWQNUSA-N 0 3 316.361 2.231 20 5 DEBDHN CC[C@@H](C(=O)NCCc1cccc([N+](=O)[O-])c1)N(CC)CC ZINC000270778192 403223301 /nfs/dbraw/zinc/22/33/01/403223301.db2.gz QMKMIGWROWALPY-HNNXBMFYSA-N 0 3 307.394 2.374 20 5 DEBDHN CS[C@H]1CN(c2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1N(C)C ZINC000270385478 403186465 /nfs/dbraw/zinc/18/64/65/403186465.db2.gz QTXHJENSASZIOR-NEPJUHHUSA-N 0 3 317.361 2.355 20 5 DEBDHN CCOc1ccc([C@H](C)N[C@@H](CCO)COC)cc1[N+](=O)[O-] ZINC000271069938 403260773 /nfs/dbraw/zinc/26/07/73/403260773.db2.gz DVNHSEUFTHFRIX-AAEUAGOBSA-N 0 3 312.366 2.042 20 5 DEBDHN C[C@H](O)[C@H]1C[C@H](C)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000331285257 403369227 /nfs/dbraw/zinc/36/92/27/403369227.db2.gz LKYLFDWISSQNJA-DVOMOZLQSA-N 0 3 308.378 2.455 20 5 DEBDHN C[C@@H]1CCC[C@@H]1NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000331605401 403428797 /nfs/dbraw/zinc/42/87/97/403428797.db2.gz HZXHIOWVZUGWNF-ZJUUUORDSA-N 0 3 321.333 2.040 20 5 DEBDHN N[C@H](CC(F)F)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000345684250 403435188 /nfs/dbraw/zinc/43/51/88/403435188.db2.gz CWDVWMYCUGSHSQ-GFCCVEGCSA-N 0 3 315.320 2.016 20 5 DEBDHN C[C@@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])N(C)C1CC1 ZINC000339849947 403471294 /nfs/dbraw/zinc/47/12/94/403471294.db2.gz GAGMYIVZZNJTTP-LBPRGKRZSA-N 0 3 319.405 2.471 20 5 DEBDHN CCN1CCCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000340089583 403544966 /nfs/dbraw/zinc/54/49/66/403544966.db2.gz QPYYTSMFQKXTAV-UHFFFAOYSA-N 0 3 319.405 2.427 20 5 DEBDHN Cc1nn(C)c(NC[C@@H](Cc2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000301092261 403588621 /nfs/dbraw/zinc/58/86/21/403588621.db2.gz MJUWZLNAOKBXSJ-CQSZACIVSA-N 0 3 317.393 2.222 20 5 DEBDHN C[C@@H](CN(C)C)NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000287244870 403558773 /nfs/dbraw/zinc/55/87/73/403558773.db2.gz ACAATSXMNFIUNP-ZDUSSCGKSA-N 0 3 322.409 2.167 20 5 DEBDHN CCc1ccc(C(=O)N[C@@H]2CCCN(C)[C@H]2C)cc1[N+](=O)[O-] ZINC000343420292 403581360 /nfs/dbraw/zinc/58/13/60/403581360.db2.gz AHKNOCMZAQQETK-SMDDNHRTSA-N 0 3 305.378 2.370 20 5 DEBDHN C[C@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000295048102 403742445 /nfs/dbraw/zinc/74/24/45/403742445.db2.gz XUNHHRRDXINJHT-LLVKDONJSA-N 0 3 320.349 2.424 20 5 DEBDHN CO[C@H]1CCCC[C@H]1NCC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000361762856 403849928 /nfs/dbraw/zinc/84/99/28/403849928.db2.gz CPMCMFQYMXOKIH-OCCSQVGLSA-N 0 3 321.377 2.389 20 5 DEBDHN Cc1nc(NCCN(C)Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000295419156 403913352 /nfs/dbraw/zinc/91/33/52/403913352.db2.gz DUGDEFXWCFLJLA-UHFFFAOYSA-N 0 3 301.350 2.237 20 5 DEBDHN CC(=O)NC1CCC(N(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000344130721 403928622 /nfs/dbraw/zinc/92/86/22/403928622.db2.gz YGZUEZUVAXWUSG-UHFFFAOYSA-N 0 3 305.378 2.474 20 5 DEBDHN CN(C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000411949476 404029184 /nfs/dbraw/zinc/02/91/84/404029184.db2.gz RTRAZHTYDPYTTK-OWCLPIDISA-N 0 3 317.389 2.251 20 5 DEBDHN C[C@H](O)c1ncc(CNCCc2ccc([N+](=O)[O-])cc2)s1 ZINC000290121883 404050369 /nfs/dbraw/zinc/05/03/69/404050369.db2.gz PCJCAPALTOHDPG-JTQLQIEISA-N 0 3 307.375 2.437 20 5 DEBDHN CN(C)CCN(C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000412263372 404216008 /nfs/dbraw/zinc/21/60/08/404216008.db2.gz XYSOGMHTJBTUNR-JKSUJKDBSA-N 0 3 317.389 2.251 20 5 DEBDHN CCCN(CCN1CCCCCC1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000290552583 404217931 /nfs/dbraw/zinc/21/79/31/404217931.db2.gz FAQMAIQQLOPCSM-UHFFFAOYSA-N 0 3 323.397 2.046 20 5 DEBDHN CN(C[C@@H](O)COc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000290871092 404344531 /nfs/dbraw/zinc/34/45/31/404344531.db2.gz ZPPKUGPWBPSWOA-LLVKDONJSA-N 0 3 300.742 2.082 20 5 DEBDHN CC(C)NC(=O)[C@H](C)N[C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000414329308 404579286 /nfs/dbraw/zinc/57/92/86/404579286.db2.gz BFMKQVQOJZHJPF-STQMWFEESA-N 0 3 307.394 2.419 20 5 DEBDHN C[C@@H]1[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CCCN1C ZINC000351618477 404674267 /nfs/dbraw/zinc/67/42/67/404674267.db2.gz HKJPIXSGVAQVHM-SKDRFNHKSA-N 0 3 310.329 2.338 20 5 DEBDHN C[C@@H]1CCN(C)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000351608397 404668171 /nfs/dbraw/zinc/66/81/71/404668171.db2.gz HCIUXNKXWSPMTM-SNVBAGLBSA-N 0 3 310.329 2.292 20 5 DEBDHN COc1ccc(OCCN(C)CC[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000342596694 404669443 /nfs/dbraw/zinc/66/94/43/404669443.db2.gz RDUGPPFBBLWKQX-CYBMUJFWSA-N 0 3 324.377 2.483 20 5 DEBDHN CCc1ccc(C(=O)N2CC[C@]3(CCN(C)C3)C2)cc1[N+](=O)[O-] ZINC000366562286 404814638 /nfs/dbraw/zinc/81/46/38/404814638.db2.gz VZCFSELDRMOUJV-KRWDZBQOSA-N 0 3 317.389 2.325 20 5 DEBDHN CCc1cnccc1[C@H](C)NCCn1cc([N+](=O)[O-])ccc1=O ZINC000361120158 404929125 /nfs/dbraw/zinc/92/91/25/404929125.db2.gz PYPDANTYAWVUBD-LBPRGKRZSA-N 0 3 316.361 2.065 20 5 DEBDHN COC[C@]1(CO)CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000451925650 405095789 /nfs/dbraw/zinc/09/57/89/405095789.db2.gz GJIMWUFUJCYBAF-CZUORRHYSA-N 0 3 308.378 2.295 20 5 DEBDHN CCOC(=O)c1cc(NCC2(N(C)C)CC2)ccc1[N+](=O)[O-] ZINC000419013179 405220136 /nfs/dbraw/zinc/22/01/36/405220136.db2.gz YWHMDDPOWFZNLY-UHFFFAOYSA-N 0 3 307.350 2.278 20 5 DEBDHN CCc1ccc(C(=O)N2CCC[C@H]3CN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000425059007 405239488 /nfs/dbraw/zinc/23/94/88/405239488.db2.gz QEVTTYLGOVLQRW-GOEBONIOSA-N 0 3 317.389 2.323 20 5 DEBDHN O=[N+]([O-])c1ccc(OC2CCN(C[C@H]3C[C@@H](O)C3)CC2)cc1 ZINC000420916883 405404704 /nfs/dbraw/zinc/40/47/04/405404704.db2.gz PZGGZUWWENJTEH-XBXGTLAGSA-N 0 3 306.362 2.209 20 5 DEBDHN CC(C)[C@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CCN1C ZINC000447673535 405417918 /nfs/dbraw/zinc/41/79/18/405417918.db2.gz YQAIFAVHKXFAAB-CQSZACIVSA-N 0 3 303.366 2.248 20 5 DEBDHN CN(C[C@H]1CCCN1C)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420635321 405365284 /nfs/dbraw/zinc/36/52/84/405365284.db2.gz MGKCIOCBEDHHBI-CYBMUJFWSA-N 0 3 317.349 2.175 20 5 DEBDHN O=[N+]([O-])c1ccccc1OCCN1CCC[C@H](CCO)CC1 ZINC000421019243 405431941 /nfs/dbraw/zinc/43/19/41/405431941.db2.gz PERDXGUCGZYGBH-AWEZNQCLSA-N 0 3 308.378 2.458 20 5 DEBDHN CC(C)N1CC[C@@H](N(C)C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000457099632 405696238 /nfs/dbraw/zinc/69/62/38/405696238.db2.gz VQSQVFOFSXOQSS-GFCCVEGCSA-N 0 3 309.341 2.289 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000457097177 405697999 /nfs/dbraw/zinc/69/79/99/405697999.db2.gz RPQIGYPPJHFUQV-CYBMUJFWSA-N 0 3 321.377 2.158 20 5 DEBDHN O=C1CC[C@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])[C@@H](C2CC2)N1 ZINC000582370203 405717231 /nfs/dbraw/zinc/71/72/31/405717231.db2.gz JASXRQRDPHCWKE-GRDNDAEWSA-N 0 3 315.373 2.229 20 5 DEBDHN C[C@H]1CCN(CCNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000560097574 405768599 /nfs/dbraw/zinc/76/85/99/405768599.db2.gz WZXSJCACHUWTHJ-ZDUSSCGKSA-N 0 3 319.405 2.330 20 5 DEBDHN CCOC[C@H](O)CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433239974 405904314 /nfs/dbraw/zinc/90/43/14/405904314.db2.gz JWAYQNDEODWWOW-IUODEOHRSA-N 0 3 308.378 2.304 20 5 DEBDHN CCOC[C@@H](O)CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433239977 405905305 /nfs/dbraw/zinc/90/53/05/405905305.db2.gz JWAYQNDEODWWOW-WFASDCNBSA-N 0 3 308.378 2.304 20 5 DEBDHN COc1ccc(OCCN(C)CC(C)(C)OC)c([N+](=O)[O-])c1 ZINC000531829373 406012247 /nfs/dbraw/zinc/01/22/47/406012247.db2.gz POGZWUUBPHNXHT-UHFFFAOYSA-N 0 3 312.366 2.339 20 5 DEBDHN COc1ccc([C@@H](CO)CNCc2cccc([N+](=O)[O-])c2)cc1 ZINC000459748418 406031024 /nfs/dbraw/zinc/03/10/24/406031024.db2.gz LVSVGLWTBTUSQG-OAHLLOKOSA-N 0 3 316.357 2.469 20 5 DEBDHN COCCN1CC[C@H](N[C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000532513207 406081273 /nfs/dbraw/zinc/08/12/73/406081273.db2.gz TZGTVYKQWPZKJV-KBPBESRZSA-N 0 3 307.394 2.275 20 5 DEBDHN O=C(CN[C@@H]1CCC[C@@H]2C[C@@H]21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000459793453 406048266 /nfs/dbraw/zinc/04/82/66/406048266.db2.gz VNDYBAOBTWXSIM-VHDGCEQUSA-N 0 3 315.373 2.262 20 5 DEBDHN CC(C)[C@@H]1CN(c2nc3sccn3c2[N+](=O)[O-])CCN1C ZINC000487101054 406204762 /nfs/dbraw/zinc/20/47/62/406204762.db2.gz ZLARCTVGZDOCAT-JTQLQIEISA-N 0 3 309.395 2.080 20 5 DEBDHN COc1cc(CN2CCN(C)[C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000488032530 406287224 /nfs/dbraw/zinc/28/72/24/406287224.db2.gz OLKYJOYCRSDXBS-HNNXBMFYSA-N 0 3 307.394 2.375 20 5 DEBDHN O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N1CCN2CCC[C@@H]2C1 ZINC000491545397 406615949 /nfs/dbraw/zinc/61/59/49/406615949.db2.gz IOEZGVASOLVKTE-KXQLTZBTSA-N 0 3 319.336 2.054 20 5 DEBDHN CN(C)[C@@H]1CCCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000491433047 406592460 /nfs/dbraw/zinc/59/24/60/406592460.db2.gz CGVFFJFKDAXZKS-WHLNPGIBSA-N 0 3 303.362 2.161 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCCN1CCC(O)CC1)CCC2 ZINC000295917247 225377788 /nfs/dbraw/zinc/37/77/88/225377788.db2.gz JONUBKHRDOLRQK-KRWDZBQOSA-N 0 3 319.405 2.019 20 5 DEBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC[C@@]1(O)CCOC1 ZINC000290888828 221996968 /nfs/dbraw/zinc/99/69/68/221996968.db2.gz MUFUWMIZYXOXSH-LBPRGKRZSA-N 0 3 321.160 2.143 20 5 DEBDHN CCN1CCCC[C@H]1CNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000357332220 424815671 /nfs/dbraw/zinc/81/56/71/424815671.db2.gz FKNNCSBWPPSPKL-LBPRGKRZSA-N 0 3 315.377 2.824 20 5 DEBDHN C[C@H]1C[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCN1C ZINC000334042207 269009882 /nfs/dbraw/zinc/00/98/82/269009882.db2.gz IERDAKNBHRTDRE-ONGXEEELSA-N 0 3 311.769 2.461 20 5 DEBDHN C[C@@H](O)[C@H]1C[C@H](C)CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000443345550 269136414 /nfs/dbraw/zinc/13/64/14/269136414.db2.gz SENWJPGSMKIXQW-XJKCOSOUSA-N 0 3 308.378 2.455 20 5 DEBDHN C[C@@H]1CN(C)CC[C@H]1N(C)c1nc2sccn2c1[N+](=O)[O-] ZINC000267740367 274335471 /nfs/dbraw/zinc/33/54/71/274335471.db2.gz VCYPQWJRNWXEFL-NXEZZACHSA-N 0 3 309.395 2.080 20 5 DEBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1c1ccc([N+](=O)[O-])c(N)c1F ZINC000286237708 274387081 /nfs/dbraw/zinc/38/70/81/274387081.db2.gz FCAKRZKVCNKCHO-GHMZBOCLSA-N 0 3 308.357 2.379 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@@H]1COCCO1)CCCC2 ZINC000417334853 275038204 /nfs/dbraw/zinc/03/82/04/275038204.db2.gz FXZSNYACGGVQPZ-GDBMZVCRSA-N 0 3 306.362 2.367 20 5 DEBDHN CN(CCN1CCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000351749407 276943237 /nfs/dbraw/zinc/94/32/37/276943237.db2.gz ORBDMKAQUYXECD-UHFFFAOYSA-N 0 3 310.329 2.293 20 5 DEBDHN CN1CC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000272634263 277144073 /nfs/dbraw/zinc/14/40/73/277144073.db2.gz NMEZAQXYVGJZCH-QMTHXVAHSA-N 0 3 323.780 2.414 20 5 DEBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000157206374 277157792 /nfs/dbraw/zinc/15/77/92/277157792.db2.gz GGIOLVZLBIWIGJ-UKRRQHHQSA-N 0 3 303.362 2.151 20 5 DEBDHN C[C@H](CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21)N1CCOCC1 ZINC000192634822 279352955 /nfs/dbraw/zinc/35/29/55/279352955.db2.gz WQFLWHHDEGWUSZ-DYVFJYSZSA-N 0 3 319.405 2.283 20 5 DEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H](C)C(=O)NC(C)(C)C ZINC000449099788 279382504 /nfs/dbraw/zinc/38/25/04/279382504.db2.gz UXWRBRYASVUDLS-VXGBXAGGSA-N 0 3 307.394 2.419 20 5 DEBDHN C[S@@](=O)C1(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000282436492 280178431 /nfs/dbraw/zinc/17/84/31/280178431.db2.gz UEYFLCUKEYPQSS-LHSJRXKWSA-N 0 3 308.403 2.473 20 5 DEBDHN Cc1c(C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000272370905 280209557 /nfs/dbraw/zinc/20/95/57/280209557.db2.gz AQMUIWNWEALEED-WFASDCNBSA-N 0 3 303.362 2.069 20 5 DEBDHN Cc1cccnc1[C@@H](NCCn1ccc([N+](=O)[O-])n1)C(C)C ZINC000176246436 302243223 /nfs/dbraw/zinc/24/32/23/302243223.db2.gz AGRLGNQCJKBWHG-AWEZNQCLSA-N 0 3 303.366 2.482 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000574724958 326180972 /nfs/dbraw/zinc/18/09/72/326180972.db2.gz MWSOCWLCWLXPEN-BMFZPTHFSA-N 0 3 319.405 2.417 20 5 DEBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H](N2CCCCC2)C1 ZINC000575018504 326210898 /nfs/dbraw/zinc/21/08/98/326210898.db2.gz FZRSSJUBJQAQRH-CYBMUJFWSA-N 0 3 307.398 2.184 20 5 DEBDHN CC(C)COCCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000337299446 519754803 /nfs/dbraw/zinc/75/48/03/519754803.db2.gz MJGKFNRKFMSSPI-ZDUSSCGKSA-N 0 3 308.382 2.149 20 5 DEBDHN Cc1ccc(CN2CCN(CC(C)(C)O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000249767118 524459077 /nfs/dbraw/zinc/45/90/77/524459077.db2.gz IQIZZJOPDMRYKU-AWEZNQCLSA-N 0 3 321.421 2.180 20 5 DEBDHN CC(=O)N(C)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000299461853 526460982 /nfs/dbraw/zinc/46/09/82/526460982.db2.gz ZIZJIZPGYZHKRD-UHFFFAOYSA-N 0 3 305.378 2.080 20 5 DEBDHN CNC(=O)[C@@H]1CCC[C@@H]1N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000358262946 536363175 /nfs/dbraw/zinc/36/31/75/536363175.db2.gz FWLHZPLMBXWZAT-YUTCNCBUSA-N 0 3 305.378 2.469 20 5 DEBDHN CC(COC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])[N+](=O)[O-] ZINC000835455304 649923711 /nfs/dbraw/zinc/92/37/11/649923711.db2.gz NYWQXVBRBAYUKJ-ZCFIWIBFSA-N 0 3 322.195 2.436 20 5 DEBDHN COC[C@@H](C[NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-])C(C)C ZINC001355359252 1152005884 /nfs/dbraw/zinc/00/58/84/1152005884.db2.gz OHYMBJTVKNVBKG-GFCCVEGCSA-N 0 3 312.366 2.317 20 5 DEBDHN CC(C)C[C@H]1CN(C)CCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000933251165 624127247 /nfs/dbraw/zinc/12/72/47/624127247.db2.gz HEXZEIGYPITZQF-IRXDYDNUSA-N 0 3 321.421 2.290 20 5 DEBDHN Cc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)cc1Cl ZINC000836790373 650129975 /nfs/dbraw/zinc/12/99/75/650129975.db2.gz LBDGXJZRXXJLDH-QMTHXVAHSA-N 0 3 323.780 2.333 20 5 DEBDHN CN1CC[C@@H]2CN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000836849432 650136287 /nfs/dbraw/zinc/13/62/87/650136287.db2.gz PPJUQNJBCVAOSJ-RNCFNFMXSA-N 0 3 309.753 2.024 20 5 DEBDHN O=[N+]([O-])c1ccccc1CNC[C@H]1CCC2(CCOCC2)O1 ZINC000922814079 636418875 /nfs/dbraw/zinc/41/88/75/636418875.db2.gz PYFPLSIYULZUMI-CQSZACIVSA-N 0 3 306.362 2.413 20 5 DEBDHN CCN1CC[C@H](NC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000922909783 636849617 /nfs/dbraw/zinc/84/96/17/636849617.db2.gz VPIAVWQOCNBWAQ-YPMHNXCESA-N 0 3 306.366 2.049 20 5 DEBDHN C[C@@H]1[C@@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CCN1C ZINC000928423200 637022656 /nfs/dbraw/zinc/02/26/56/637022656.db2.gz AETVFAUSQMEIIC-XCBNKYQSSA-N 0 3 315.732 2.210 20 5 DEBDHN O=[N+]([O-])c1cccc(-c2ccc(CNC[C@@H]3COCO3)o2)c1 ZINC000894873899 637281090 /nfs/dbraw/zinc/28/10/90/637281090.db2.gz UHXLTNNADYBYLA-CQSZACIVSA-N 0 3 304.302 2.317 20 5 DEBDHN Cc1cccc(CN2CC[C@H](Nc3c([N+](=O)[O-])cnn3C)C2)c1 ZINC000894978572 637355928 /nfs/dbraw/zinc/35/59/28/637355928.db2.gz ZDRVJZBGIYPAPE-AWEZNQCLSA-N 0 3 315.377 2.323 20 5 DEBDHN O=[N+]([O-])c1cnn(C2CC(NCc3cnc(Cl)s3)C2)c1 ZINC000895151566 637675131 /nfs/dbraw/zinc/67/51/31/637675131.db2.gz LUUQASRDPDSTML-UHFFFAOYSA-N 0 3 313.770 2.395 20 5 DEBDHN CCOC(=O)c1ccnc(NCCN2CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000742426971 638071994 /nfs/dbraw/zinc/07/19/94/638071994.db2.gz DNPMUGOCHKAYRE-NSHDSACASA-N 0 3 322.365 2.063 20 5 DEBDHN COC(=O)/C=C/c1ccc(N[C@@H]2CCN(C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000895738167 638177986 /nfs/dbraw/zinc/17/79/86/638177986.db2.gz GWKHKKPNXGTULD-BVKQBWKVSA-N 0 3 319.361 2.286 20 5 DEBDHN C[C@H]1CN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1C ZINC000751932388 639136926 /nfs/dbraw/zinc/13/69/26/639136926.db2.gz ZSBPMGOHFZZCON-RYUDHWBXSA-N 0 3 301.350 2.399 20 5 DEBDHN CC(=O)N1CCC(CN(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001029922407 639809903 /nfs/dbraw/zinc/80/99/03/639809903.db2.gz MVEVJDKKBNKGAR-UHFFFAOYSA-N 0 3 305.378 2.285 20 5 DEBDHN COc1nccc(CNC[C@@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000897465679 640432062 /nfs/dbraw/zinc/43/20/62/640432062.db2.gz ZMVLDRUGJUXEOH-LLVKDONJSA-N 0 3 302.334 2.287 20 5 DEBDHN CN(CCC(=O)OC(C)(C)C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776586043 642188184 /nfs/dbraw/zinc/18/81/84/642188184.db2.gz IENRDLIMWZFKNB-AWEZNQCLSA-N 0 3 324.377 2.292 20 5 DEBDHN CCN1C[C@H](C)N(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000776597444 642191409 /nfs/dbraw/zinc/19/14/09/642191409.db2.gz MBWVOUDOUNSEAO-HEHGZKQESA-N 0 3 307.394 2.043 20 5 DEBDHN COc1cc([C@H](C)N[C@@H](C)CC[S@@](C)=O)cc([N+](=O)[O-])c1 ZINC000903125015 643260744 /nfs/dbraw/zinc/26/07/44/643260744.db2.gz JTLMEBMVLIMHHD-ZPMVXHMNSA-N 0 3 314.407 2.411 20 5 DEBDHN COc1cc([C@H](C)NC[C@@]2(OC)CCOC2)cc([N+](=O)[O-])c1 ZINC000903151765 643275169 /nfs/dbraw/zinc/27/51/69/643275169.db2.gz JWHXZCPHMRZTNF-NHYWBVRUSA-N 0 3 310.350 2.060 20 5 DEBDHN COc1cc([C@H](C)NC[C@H]2C[C@@H]3COC[C@@H]3O2)cc([N+](=O)[O-])c1 ZINC000903223898 643295631 /nfs/dbraw/zinc/29/56/31/643295631.db2.gz MAHZTRWBAZLUGK-XOPPTJLZSA-N 0 3 322.361 2.058 20 5 DEBDHN O=[N+]([O-])CCN[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000905117751 643794878 /nfs/dbraw/zinc/79/48/78/643794878.db2.gz RHILJTCFYSLBMR-CYBMUJFWSA-N 0 3 317.311 2.146 20 5 DEBDHN CCN1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000910290202 645392584 /nfs/dbraw/zinc/39/25/84/645392584.db2.gz YIOJDJJTOQYGRF-NSHDSACASA-N 0 3 309.341 2.290 20 5 DEBDHN CC(=O)N1CC[C@H](CN(C)Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801524989 645409387 /nfs/dbraw/zinc/40/93/87/645409387.db2.gz OLXOVWWYNKXQRI-CYBMUJFWSA-N 0 3 309.341 2.034 20 5 DEBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000843819214 651035266 /nfs/dbraw/zinc/03/52/66/651035266.db2.gz TUYKVKPMVNTJKZ-ONGXEEELSA-N 0 3 321.352 2.397 20 5 DEBDHN CC(COC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[N+](=O)[O-] ZINC000813100942 646727804 /nfs/dbraw/zinc/72/78/04/646727804.db2.gz YTTOSGGSYNODNA-LURJTMIESA-N 0 3 322.195 2.436 20 5 DEBDHN CC(COC(=O)[C@H]1CCN(c2ccccc2Cl)C1)[N+](=O)[O-] ZINC000813106405 646729873 /nfs/dbraw/zinc/72/98/73/646729873.db2.gz CNEKLHRUILQTKT-QWRGUYRKSA-N 0 3 312.753 2.375 20 5 DEBDHN COc1cc2cc(C(=O)OCC(C)[N+](=O)[O-])[nH]c2cc1OC ZINC000813107782 646730348 /nfs/dbraw/zinc/73/03/48/646730348.db2.gz WDMJQPUFNKMKEF-MRVPVSSYSA-N 0 3 308.290 2.007 20 5 DEBDHN CC(COC(=O)[C@@H]1CCCCN1Cc1ccc(F)cc1)[N+](=O)[O-] ZINC000813111337 646731229 /nfs/dbraw/zinc/73/12/29/646731229.db2.gz RLBVCWUQWCPPGT-DOMZBBRYSA-N 0 3 324.352 2.389 20 5 DEBDHN CC(COC(=O)c1cccc(OC[C@@H]2CCCO2)c1)[N+](=O)[O-] ZINC000813111542 646731518 /nfs/dbraw/zinc/73/15/18/646731518.db2.gz UMVIEKQLILAJHA-RISCZKNCSA-N 0 3 309.318 2.066 20 5 DEBDHN CC(=O)c1ccc(OCCCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813113260 646732534 /nfs/dbraw/zinc/73/25/34/646732534.db2.gz CKMLHIOLZYTPJF-NSHDSACASA-N 0 3 309.318 2.257 20 5 DEBDHN C[C@@H](NC(=O)N[C@H]1CCCN(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000914315130 647260272 /nfs/dbraw/zinc/26/02/72/647260272.db2.gz LILHZIXDDGVLSU-YPMHNXCESA-N 0 3 306.366 2.049 20 5 DEBDHN CC(=O)OC1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000153388742 647439073 /nfs/dbraw/zinc/43/90/73/647439073.db2.gz HUTIIVXESGAATI-UHFFFAOYSA-N 0 3 308.334 2.001 20 5 DEBDHN CN1C[C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)[C@@H]2C1 ZINC000819718887 647715652 /nfs/dbraw/zinc/71/56/52/647715652.db2.gz JXMZPPWSADJYOD-SMDDNHRTSA-N 0 3 323.780 2.414 20 5 DEBDHN CO[C@H]1CC[C@H](N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000821349475 648040629 /nfs/dbraw/zinc/04/06/29/648040629.db2.gz XCQUIJSAARQMGR-KBPBESRZSA-N 0 3 305.378 2.284 20 5 DEBDHN CC(C)(C)N1CC[C@H]1CNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823921385 648500336 /nfs/dbraw/zinc/50/03/36/648500336.db2.gz UWZGOBJUZIQBKA-NSHDSACASA-N 0 3 321.381 2.171 20 5 DEBDHN CCN1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000827210627 648993587 /nfs/dbraw/zinc/99/35/87/648993587.db2.gz PRDQJYQWMHWSFN-GFCCVEGCSA-N 0 3 309.341 2.338 20 5 DEBDHN CC(C)[C@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CCN1 ZINC000831593692 649614010 /nfs/dbraw/zinc/61/40/10/649614010.db2.gz NPBXSNPDYOJLCL-GFCCVEGCSA-N 0 3 311.769 2.318 20 5 DEBDHN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)C1=CCN(C)CC1 ZINC000831937959 649661482 /nfs/dbraw/zinc/66/14/82/649661482.db2.gz XIAAWYYRJMFFMS-JTQLQIEISA-N 0 3 307.325 2.114 20 5 DEBDHN CC[C@H](C)N1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000832186196 649682941 /nfs/dbraw/zinc/68/29/41/649682941.db2.gz DNFOMXNEMVKXSB-BBRMVZONSA-N 0 3 307.394 2.044 20 5 DEBDHN Cc1cc(Cl)c(C(=O)N2CC[C@@H]3CN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000832697346 649736898 /nfs/dbraw/zinc/73/68/98/649736898.db2.gz ADQLSVGVLRZZRD-QMTHXVAHSA-N 0 3 323.780 2.333 20 5 DEBDHN COc1c(C(=O)O[C@@H](C)CN2CCCC2)cccc1[N+](=O)[O-] ZINC000845663811 651267545 /nfs/dbraw/zinc/26/75/45/651267545.db2.gz MOUCOHCMWZHCQH-NSHDSACASA-N 0 3 308.334 2.245 20 5 DEBDHN CC([C@@H](OC(=O)c1ccnn1C)c1ccccc1F)[N+](=O)[O-] ZINC000845873747 651291350 /nfs/dbraw/zinc/29/13/50/651291350.db2.gz FWFJMPDJIAHTON-TVQRCGJNSA-N 0 3 307.281 2.123 20 5 DEBDHN CC([C@@H](OC(=O)Cc1ccn(C)n1)c1ccccc1F)[N+](=O)[O-] ZINC000845878177 651291726 /nfs/dbraw/zinc/29/17/26/651291726.db2.gz RNVLGOCUCRLYQV-MEBBXXQBSA-N 0 3 321.308 2.051 20 5 DEBDHN O=C(N[C@H]1CCCN2CCCC[C@H]12)c1cc(F)ccc1[N+](=O)[O-] ZINC000847257265 651384552 /nfs/dbraw/zinc/38/45/52/651384552.db2.gz VVUBAAQRRGIFBV-DZGCQCFKSA-N 0 3 321.352 2.481 20 5 DEBDHN Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(C)[C@@H]2C)cc1Cl ZINC000928429740 693777638 /nfs/dbraw/zinc/77/76/38/693777638.db2.gz DMRPVXHMSBQBDN-BXKDBHETSA-N 0 3 311.769 2.379 20 5 DEBDHN O=C(N[C@H]1CCN(CC2CC2)C1)c1cc([N+](=O)[O-])ccc1Cl ZINC000078651036 683964933 /nfs/dbraw/zinc/96/49/33/683964933.db2.gz XBXZIBXUDNNRIC-NSHDSACASA-N 0 3 323.780 2.462 20 5 DEBDHN CC([C@@H](OC(=O)COCC(F)F)c1ccccc1F)[N+](=O)[O-] ZINC000860855273 685968817 /nfs/dbraw/zinc/96/88/17/685968817.db2.gz WDPBVWYDQIVIJZ-AMIZOPFISA-N 0 3 321.251 2.357 20 5 DEBDHN CNc1ccc(C(=O)N2CCN(C)C(C)(C)CC2)cc1[N+](=O)[O-] ZINC000871150278 688735682 /nfs/dbraw/zinc/73/56/82/688735682.db2.gz MPARLMUDKPYMEO-UHFFFAOYSA-N 0 3 320.393 2.193 20 5 DEBDHN C[C@H](CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000872034955 688917027 /nfs/dbraw/zinc/91/70/27/688917027.db2.gz SKBDJBHPIIXEOT-OLZOCXBDSA-N 0 3 324.400 2.020 20 5 DEBDHN CNC(=O)C[C@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872075247 688922774 /nfs/dbraw/zinc/92/27/74/688922774.db2.gz BFEINDRCMFCGGA-VHSXEESVSA-N 0 3 311.407 2.492 20 5 DEBDHN CCN1C[C@H](CN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])CC1=O ZINC000872085533 688924292 /nfs/dbraw/zinc/92/42/92/688924292.db2.gz ZQZSNVBVFOGQLU-QWRGUYRKSA-N 0 3 309.341 2.253 20 5 DEBDHN CO[C@](C)(CO)CN[C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872084712 688924358 /nfs/dbraw/zinc/92/43/58/688924358.db2.gz UIPHAZBPDDAIFU-HZMBPMFUSA-N 0 3 314.407 2.365 20 5 DEBDHN CC1(C)[C@H]2[C@H](CCCN2CCOc2ccccc2[N+](=O)[O-])[C@@H]1O ZINC000872256519 688965661 /nfs/dbraw/zinc/96/56/61/688965661.db2.gz UTCKZPWTOSGUDS-MAZHCROVSA-N 0 3 320.389 2.455 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000874843207 689515098 /nfs/dbraw/zinc/51/50/98/689515098.db2.gz LXXGODKDPVAJIE-LSDHHAIUSA-N 0 3 303.362 2.212 20 5 DEBDHN CN(CCN1CC2(C1)CCOCC2)Cc1ccc([N+](=O)[O-])cc1 ZINC000877765373 690219471 /nfs/dbraw/zinc/21/94/71/690219471.db2.gz DOWOBBGXKZSWOP-UHFFFAOYSA-N 0 3 319.405 2.139 20 5 DEBDHN C[C@@H](NCCN1C[C@H](C)O[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000880091979 690801000 /nfs/dbraw/zinc/80/10/00/690801000.db2.gz ULJXQSVFDJXCBE-MELADBBJSA-N 0 3 307.394 2.355 20 5 DEBDHN O=[N+]([O-])c1c(F)nccc1NC1CCN(C[C@H]2CCCO2)CC1 ZINC000881805743 691165461 /nfs/dbraw/zinc/16/54/61/691165461.db2.gz QQEZWYFKLFIBBV-GFCCVEGCSA-N 0 3 324.356 2.184 20 5 DEBDHN O=[N+]([O-])c1cc2c(cc1CNCCc1ccns1)OCCO2 ZINC000883242151 691464787 /nfs/dbraw/zinc/46/47/87/691464787.db2.gz XFKQJRNXEXVORY-UHFFFAOYSA-N 0 3 321.358 2.155 20 5 DEBDHN COc1ccc2ncc([N+](=O)[O-])c(N(C)CC3CN(C)C3)c2c1 ZINC000884556524 691761960 /nfs/dbraw/zinc/76/19/60/691761960.db2.gz SRKRBUULQJWYCA-UHFFFAOYSA-N 0 3 316.361 2.149 20 5 DEBDHN C[C@@]1([C@H]2CCCN(Cc3ccccc3[N+](=O)[O-])C2)COC(=O)N1 ZINC000932017575 694527659 /nfs/dbraw/zinc/52/76/59/694527659.db2.gz OIRPWVZULGTOJG-BBRMVZONSA-N 0 3 319.361 2.305 20 5 DEBDHN COc1cc(C(=O)NCCN2CCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000890078798 692857296 /nfs/dbraw/zinc/85/72/96/692857296.db2.gz LRRZUJOSSVIJNN-UHFFFAOYSA-N 0 3 321.377 2.065 20 5 DEBDHN C[C@@H](NC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000927042997 693545024 /nfs/dbraw/zinc/54/50/24/693545024.db2.gz RCYRDMQKKHBWGU-WAEYWBMLSA-N 0 3 324.402 2.354 20 5 DEBDHN COc1c([O-])ccc(C[NH2+][C@H](C)C[C@H]2CCOC2)c1[N+](=O)[O-] ZINC001333749744 1150086596 /nfs/dbraw/zinc/08/65/96/1150086596.db2.gz BZYPQNMBROQCAQ-GHMZBOCLSA-N 0 3 310.350 2.214 20 5 DEBDHN CC(C)CN1CCN(c2cnc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC001164653221 719330780 /nfs/dbraw/zinc/33/07/80/719330780.db2.gz RGXXOZMMPXPBGU-UHFFFAOYSA-N 0 3 315.377 2.316 20 5 DEBDHN CC1(C)CC(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)C1 ZINC001126601801 779827062 /nfs/dbraw/zinc/82/70/62/779827062.db2.gz QHWGYMKMMAOQFF-UHFFFAOYSA-N 0 3 305.378 2.237 20 5 DEBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2CC[C@H](N3CCCCC3)[C@@H](F)C2)C1 ZINC001169051940 785022697 /nfs/dbraw/zinc/02/26/97/785022697.db2.gz DPJGTFKWUHYOOT-FZKCQIBNSA-N 0 3 313.417 2.330 20 5 DEBDHN NC(=O)[C@@H]1CCCCN1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172914473 793530027 /nfs/dbraw/zinc/53/00/27/793530027.db2.gz GWMRLBYHJVBJDT-HOCLYGCPSA-N 0 3 317.389 2.182 20 5 DEBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1c(=N)sc2c1CCNC2 ZINC001173234628 793646205 /nfs/dbraw/zinc/64/62/05/793646205.db2.gz STURATPQBVPIFY-JTQLQIEISA-N 0 3 318.402 2.387 20 5 DEBDHN O=C(/C=C\c1ccco1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001122734808 795799645 /nfs/dbraw/zinc/79/96/45/795799645.db2.gz LCNANGLZSWXJMG-FPLPWBNLSA-N 0 3 315.329 2.107 20 5 DEBDHN C[C@@H](N)c1nc2ccccc2n1-c1ncc(F)cc1[N+](=O)[O-] ZINC001155247813 797716855 /nfs/dbraw/zinc/71/68/55/797716855.db2.gz MKKBDRUNNLUHDS-MRVPVSSYSA-N 0 3 301.281 2.488 20 5 DEBDHN CN(C)/C=C/c1cc(N[C@H]2CN3CCC2CC3)ncc1[N+](=O)[O-] ZINC001155667838 797822678 /nfs/dbraw/zinc/82/26/78/797822678.db2.gz NZKZAMXNCRBVMO-ZRFDWSJLSA-N 0 3 317.393 2.028 20 5 DEBDHN NCc1nn(-c2cc(Cl)cc([N+](=O)[O-])n2)c2ccccc12 ZINC001156855375 798095638 /nfs/dbraw/zinc/09/56/38/798095638.db2.gz GILXAAWOJLHVAY-UHFFFAOYSA-N 0 3 303.709 2.441 20 5 DEBDHN Cc1cc[nH]c1C(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001157331374 798184942 /nfs/dbraw/zinc/18/49/42/798184942.db2.gz WZGSQSBDQYMQRG-UHFFFAOYSA-N 0 3 316.361 2.141 20 5 DEBDHN CN1CCC(N(c2cc(N)c([N+](=O)[O-])cn2)C2CCCC2)CC1 ZINC001158487477 798415164 /nfs/dbraw/zinc/41/51/64/798415164.db2.gz CGKFSUNPBRDJCL-UHFFFAOYSA-N 0 3 319.409 2.415 20 5 DEBDHN COc1ccc(N[C@H]2CNCc3ccsc32)nc1[N+](=O)[O-] ZINC001163220070 799279515 /nfs/dbraw/zinc/27/95/15/799279515.db2.gz KXAIBLOATSEZBX-VIFPVBQESA-N 0 3 306.347 2.316 20 5 DEBDHN O=C(CCCF)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001164058098 799499757 /nfs/dbraw/zinc/49/97/57/799499757.db2.gz YFRSIKPELQMLBV-UHFFFAOYSA-N 0 3 303.359 2.002 20 5 DEBDHN C[C@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cncs1 ZINC000934205320 800289929 /nfs/dbraw/zinc/28/99/29/800289929.db2.gz ZBAVXUGLGBVWHE-JQWIXIFHSA-N 0 3 323.374 2.142 20 5 DEBDHN CCN1CCC[C@@H](O[C@H](C(=O)OC)c2ccccc2[N+](=O)[O-])C1 ZINC001223648072 802806678 /nfs/dbraw/zinc/80/66/78/802806678.db2.gz LVOYQYONEBORTC-DOMZBBRYSA-N 0 3 322.361 2.310 20 5 DEBDHN CN1CCC[C@H](Oc2ncnc3cc(F)c([N+](=O)[O-])cc32)C1 ZINC001226804844 803163496 /nfs/dbraw/zinc/16/34/96/803163496.db2.gz SXGHXLMQOQRZMY-VIFPVBQESA-N 0 3 306.297 2.150 20 5 DEBDHN COC(=O)c1cccc([N+](=O)[O-])c1O[C@H]1CCN(C(C)C)C1 ZINC001227121639 803204336 /nfs/dbraw/zinc/20/43/36/803204336.db2.gz DBFNKUXUEHYKQA-NSHDSACASA-N 0 3 308.334 2.243 20 5 DEBDHN CN1CC[C@@H](Oc2ncnc3cc(Cl)c([N+](=O)[O-])cc32)C1 ZINC001227368488 803234529 /nfs/dbraw/zinc/23/45/29/803234529.db2.gz AVONGYKDMPWLEO-MRVPVSSYSA-N 0 3 308.725 2.274 20 5 DEBDHN CC(C)[NH+]1CCC(Oc2ncc([N+](=O)[O-])c3nc[n-]c32)CC1 ZINC001227692107 803268209 /nfs/dbraw/zinc/26/82/09/803268209.db2.gz UGVOSHXGCUFEEH-UHFFFAOYSA-N 0 3 305.338 2.118 20 5 DEBDHN COC(=O)c1cc(OC2CCN(C3CC3)CC2)cc([N+](=O)[O-])c1 ZINC001228769807 803408339 /nfs/dbraw/zinc/40/83/39/803408339.db2.gz AQUSKJZQXMHBTJ-UHFFFAOYSA-N 0 3 320.345 2.387 20 5 DEBDHN C[C@@H](NC(=O)N1CCN[C@@H](C)[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC001335647537 1150488271 /nfs/dbraw/zinc/48/82/71/1150488271.db2.gz VUFBXGZUDXLSOC-QJPTWQEYSA-N 0 3 306.366 2.048 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC001331771204 1149672245 /nfs/dbraw/zinc/67/22/45/1149672245.db2.gz PNLFSVHRQHALLE-UHFFFAOYSA-N 0 3 320.397 2.252 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCCCN1C ZINC001346239299 1150957731 /nfs/dbraw/zinc/95/77/31/1150957731.db2.gz SCWJRKWICMTXGB-GFCCVEGCSA-N 0 3 322.365 2.209 20 5 DEBDHN C[C@H]1CC[C@H](C)[N@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001603874806 1070130957 /nfs/dbraw/zinc/13/09/57/1070130957.db2.gz PWPTWRLHXODCMA-QWRGUYRKSA-N 0 3 316.365 2.395 20 5 DEBDHN C[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001603874806 1070130978 /nfs/dbraw/zinc/13/09/78/1070130978.db2.gz PWPTWRLHXODCMA-QWRGUYRKSA-N 0 3 316.365 2.395 20 5 DEBDHN O=C1OCC[C@@H]1CCCNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001474694916 1060918996 /nfs/dbraw/zinc/91/89/96/1060918996.db2.gz CGLMBGQNGVSCTK-JTQLQIEISA-N 0 3 319.317 2.169 20 5 DEBDHN C/C=C(\C)C(=O)N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001480197923 1062452550 /nfs/dbraw/zinc/45/25/50/1062452550.db2.gz AZUPANCVPHTHDZ-LNEGKRQQSA-N 0 3 303.362 2.298 20 5 DEBDHN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCN[C@H](C(C)C)C1 ZINC001641823514 1078729947 /nfs/dbraw/zinc/72/99/47/1078729947.db2.gz GEJXRFCDVWCBAU-ZDUSSCGKSA-N 0 3 309.341 2.112 20 5 DEBDHN CC[C@@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)[C@@H](CC)CN1 ZINC001573717884 1069076933 /nfs/dbraw/zinc/07/69/33/1069076933.db2.gz IGAWMINYEPBBAM-KGLIPLIRSA-N 0 3 320.393 2.267 20 5 DEBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)NC[C@H]1C ZINC001521512756 1069247256 /nfs/dbraw/zinc/24/72/56/1069247256.db2.gz LMIBVKPXFJRKKX-NXEZZACHSA-N 0 3 309.391 2.139 20 5 DEBDHN CC[C@H](C)C[C@H](CO)NCc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001560899282 1075147454 /nfs/dbraw/zinc/14/74/54/1075147454.db2.gz OGMBUPMFSNLXLT-CMPLNLGQSA-N 0 3 312.366 2.196 20 5 DEBDHN COc1c([O-])ccc(C[NH2+][C@@H](CCO)C2CCCC2)c1[N+](=O)[O-] ZINC001561025061 1075149802 /nfs/dbraw/zinc/14/98/02/1075149802.db2.gz MKICGSDYUBEDEO-ZDUSSCGKSA-N 0 3 324.377 2.340 20 5 DEBDHN C[C@H]1[C@@H](C)[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@H]1C ZINC001590309993 1076609402 /nfs/dbraw/zinc/60/94/02/1076609402.db2.gz RRNWBFRVYWPZME-GMTAPVOTSA-N 0 3 316.365 2.251 20 5 DEBDHN C[C@H]1[C@@H](C)[N@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@H]1C ZINC001590309993 1076609406 /nfs/dbraw/zinc/60/94/06/1076609406.db2.gz RRNWBFRVYWPZME-GMTAPVOTSA-N 0 3 316.365 2.251 20 5 DEBDHN C[C@H]1[C@@H](C)[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@H]1C ZINC001590309993 1076609410 /nfs/dbraw/zinc/60/94/10/1076609410.db2.gz RRNWBFRVYWPZME-GMTAPVOTSA-N 0 3 316.365 2.251 20 5 DEBDHN C[C@H]1[C@@H](C)[N@H+](Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@H]1C ZINC001590309993 1076609414 /nfs/dbraw/zinc/60/94/14/1076609414.db2.gz RRNWBFRVYWPZME-GMTAPVOTSA-N 0 3 316.365 2.251 20 5 DEBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNCCN2CCCC2)c1 ZINC001655198342 1079989749 /nfs/dbraw/zinc/98/97/49/1079989749.db2.gz FKCPOUOSQXRBLP-UHFFFAOYSA-N 0 3 315.320 2.382 20 5 DEBDHN CN(CCCNCc1csc([N+](=O)[O-])c1)C(=O)C1(C)CC1 ZINC001498548625 1080869486 /nfs/dbraw/zinc/86/94/86/1080869486.db2.gz HINKBNVPNOMBSR-UHFFFAOYSA-N 0 3 311.407 2.395 20 5 DEBDHN CC(C)Oc1nc(N[C@@H]2CN3CCC2CC3)ccc1[N+](=O)[O-] ZINC001337315816 1142727448 /nfs/dbraw/zinc/72/74/48/1142727448.db2.gz FGTFRQRIOOSIFX-GFCCVEGCSA-N 0 3 306.366 2.283 20 5 DEBDHN CN1CCCC[C@@H]1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001337535274 1142765182 /nfs/dbraw/zinc/76/51/82/1142765182.db2.gz LQQZYMIMAWUWDM-GFCCVEGCSA-N 0 3 311.769 2.462 20 5 DEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](CO)c1cccnc1 ZINC001254549879 1143244441 /nfs/dbraw/zinc/24/44/41/1143244441.db2.gz YFHHAWYYYNAQOP-DOMZBBRYSA-N 0 3 301.346 2.244 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](NCc1ncn3ccccc13)C2 ZINC001254585345 1143268182 /nfs/dbraw/zinc/26/81/82/1143268182.db2.gz DUUITXFNXLNWSG-AWEZNQCLSA-N 0 3 308.341 2.500 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](NCc1cn(CC3CC3)cn1)C2 ZINC001254587657 1143268911 /nfs/dbraw/zinc/26/89/11/1143268911.db2.gz SHSVBVHXGMPENY-HNNXBMFYSA-N 0 3 312.373 2.458 20 5 DEBDHN CCOc1ccc(C(=O)N2[C@H](C)CN[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC001341027884 1143526461 /nfs/dbraw/zinc/52/64/61/1143526461.db2.gz KUPKFFFDOYRAOT-GRYCIOLGSA-N 0 3 321.377 2.204 20 5 DEBDHN CCN1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2NC)C(C)(C)C1 ZINC001304042158 1147343911 /nfs/dbraw/zinc/34/39/11/1147343911.db2.gz DOVPILYLGLZFHP-CYBMUJFWSA-N 0 3 320.393 2.097 20 5 DEBDHN CCN1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2NC)C(C)(C)C1 ZINC001304042160 1147343933 /nfs/dbraw/zinc/34/39/33/1147343933.db2.gz DOVPILYLGLZFHP-ZDUSSCGKSA-N 0 3 320.393 2.097 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])cc1CNCC1(C(N)=O)CCCC1 ZINC001308264115 1147462749 /nfs/dbraw/zinc/46/27/49/1147462749.db2.gz JXKLXZAIAMKWAL-UHFFFAOYSA-N 0 3 321.377 2.129 20 5 DEBDHN CCN1CCCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000278225561 214034257 /nfs/dbraw/zinc/03/42/57/214034257.db2.gz MDRDMMWXJKIJIE-UHFFFAOYSA-N 0 3 308.338 2.031 20 5 DEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000177771027 282207824 /nfs/dbraw/zinc/20/78/24/282207824.db2.gz CVHPVFVRLIJSRN-ZBFHGGJFSA-N 0 3 317.389 2.223 20 5 DEBDHN CN1CCN(CCC(C)(C)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000302245388 530071999 /nfs/dbraw/zinc/07/19/99/530071999.db2.gz KLHKJYCUWBGHDK-UHFFFAOYSA-N 0 3 306.410 2.423 20 5 DEBDHN C[C@H](C(=O)NCc1cccc([N+](=O)[O-])c1)N1[C@H](C)CC[C@@H]1C ZINC000245201569 282383682 /nfs/dbraw/zinc/38/36/82/282383682.db2.gz KBVCZIRUYXJREC-FRRDWIJNSA-N 0 3 305.378 2.472 20 5 DEBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])NC[C@@H](O)C(F)(F)F ZINC000616363007 362836926 /nfs/dbraw/zinc/83/69/26/362836926.db2.gz RQDAEGRVACDEKQ-JOYOIKCWSA-N 0 3 306.284 2.429 20 5 DEBDHN CC[C@]1(NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCOC1 ZINC000616865393 362952523 /nfs/dbraw/zinc/95/25/23/362952523.db2.gz PROKWHFBDUBWBT-HNNXBMFYSA-N 0 3 307.350 2.000 20 5 DEBDHN COCC[C@](C)(O)CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000172672323 198134494 /nfs/dbraw/zinc/13/44/94/198134494.db2.gz JCAPBIDZZOENTA-ZDUSSCGKSA-N 0 3 302.758 2.125 20 5 DEBDHN CCN1CCN(C[C@H](C)CNc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000277168057 213341324 /nfs/dbraw/zinc/34/13/24/213341324.db2.gz UDARTUVNSBTLOT-CYBMUJFWSA-N 0 3 324.400 2.419 20 5 DEBDHN O=[N+]([O-])c1cc(F)ccc1CNC1(CO)CCSCC1 ZINC000595537288 358476831 /nfs/dbraw/zinc/47/68/31/358476831.db2.gz AIZMAYBXBZFHMJ-UHFFFAOYSA-N 0 3 300.355 2.082 20 5 DEBDHN O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[C@H](N2CC=CC2)C1 ZINC000174179186 198302081 /nfs/dbraw/zinc/30/20/81/198302081.db2.gz WYTGGJWCIDISAH-AWEZNQCLSA-N 0 3 302.334 2.073 20 5 DEBDHN CN(C)[C@H](CNc1c([N+](=O)[O-])ncn1C)c1cccc(F)c1 ZINC000029847998 354116702 /nfs/dbraw/zinc/11/67/02/354116702.db2.gz JXSFPKVVAVGGHB-GFCCVEGCSA-N 0 3 307.329 2.182 20 5 DEBDHN CCN1CCC(NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000043292406 354218163 /nfs/dbraw/zinc/21/81/63/354218163.db2.gz JNWCVOXBKAWRLR-UHFFFAOYSA-N 0 3 320.393 2.221 20 5 DEBDHN Cc1ccc([C@H](C)NC(=O)N(C)CCN(C)C)cc1[N+](=O)[O-] ZINC000176744777 198618093 /nfs/dbraw/zinc/61/80/93/198618093.db2.gz MWDQBOWEOPJJPP-LBPRGKRZSA-N 0 3 308.382 2.167 20 5 DEBDHN CC1CCN(C[C@H](O)CNc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000067373217 354759969 /nfs/dbraw/zinc/75/99/69/354759969.db2.gz KDPIINCZMPQRQB-CYBMUJFWSA-N 0 3 311.357 2.239 20 5 DEBDHN CN(C)CCN(Cc1cccs1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000084070518 355472936 /nfs/dbraw/zinc/47/29/36/355472936.db2.gz KAIPMGURGNBEHU-UHFFFAOYSA-N 0 3 322.390 2.188 20 5 DEBDHN CCOc1ccc([C@H](C)N[C@H]2CCN(C(C)=O)C2)cc1[N+](=O)[O-] ZINC000090447474 355561429 /nfs/dbraw/zinc/56/14/29/355561429.db2.gz AIMMUNJNQUTBJU-FZMZJTMJSA-N 0 3 321.377 2.265 20 5 DEBDHN C[C@@H](C(=O)NC[C@H]1CCCN(C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185222940 356204279 /nfs/dbraw/zinc/20/42/79/356204279.db2.gz GXXALBKZTDUJSR-VXGBXAGGSA-N 0 3 323.368 2.295 20 5 DEBDHN CC(C)Oc1nc(N2CCC[C@H]2CN(C)C)ccc1[N+](=O)[O-] ZINC000578881852 356886443 /nfs/dbraw/zinc/88/64/43/356886443.db2.gz GUYMARIRNDPSFT-LBPRGKRZSA-N 0 3 308.382 2.307 20 5 DEBDHN O=[N+]([O-])c1cccc(CN[C@H]([C@H]2CCCO2)C2(CO)CCC2)c1 ZINC000589521378 357478279 /nfs/dbraw/zinc/47/82/79/357478279.db2.gz WZPVPZKYRAPRLR-HZPDHXFCSA-N 0 3 320.389 2.395 20 5 DEBDHN CC(C)(C)N1CC[C@H](NCCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000591608146 357743137 /nfs/dbraw/zinc/74/31/37/357743137.db2.gz QJYZURBGQHLLLM-AWEZNQCLSA-N 0 3 305.378 2.126 20 5 DEBDHN CCN(CCSC)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000592197419 357849177 /nfs/dbraw/zinc/84/91/77/357849177.db2.gz CCEBOKYESAKRSO-ZDUSSCGKSA-N 0 3 314.407 2.019 20 5 DEBDHN CCN(CCSC)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000592200611 357850316 /nfs/dbraw/zinc/85/03/16/357850316.db2.gz ATXGTQHTOBDTKM-LBPRGKRZSA-N 0 3 314.407 2.019 20 5 DEBDHN C[C@H](NCCN1C[C@@H](C)O[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000592992662 357983434 /nfs/dbraw/zinc/98/34/34/357983434.db2.gz AMBPSRMBECUTSR-MCIONIFRSA-N 0 3 307.394 2.355 20 5 DEBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCCN1CCCCCC1 ZINC000593404892 358070784 /nfs/dbraw/zinc/07/07/84/358070784.db2.gz YCOWVCFMVWAPBW-UHFFFAOYSA-N 0 3 323.368 2.269 20 5 DEBDHN CNC(=O)C[C@@H](C)N[C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417346909 283330215 /nfs/dbraw/zinc/33/02/15/283330215.db2.gz GCWYZULZNFXAQS-ABAIWWIYSA-N 0 3 305.378 2.477 20 5 DEBDHN CSc1ccc(C(=O)N2C[C@@H](C)NC[C@@H]2C)cc1[N+](=O)[O-] ZINC000237308663 202225938 /nfs/dbraw/zinc/22/59/38/202225938.db2.gz NUDWVZOFWYLHCZ-ZJUUUORDSA-N 0 3 309.391 2.139 20 5 DEBDHN COCC[C@](C)(O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595009828 358377892 /nfs/dbraw/zinc/37/78/92/358377892.db2.gz SVEMDNUNNKHGCW-NHYWBVRUSA-N 0 3 312.366 2.042 20 5 DEBDHN Cc1c([C@H](C)NCCOc2ccc([N+](=O)[O-])cc2)cnn1C ZINC000180871182 199221347 /nfs/dbraw/zinc/22/13/47/199221347.db2.gz RURAWBQEZNDKIP-NSHDSACASA-N 0 3 304.350 2.366 20 5 DEBDHN Cc1c(CN2CC[C@@H]3NC(=O)CC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000595738449 358537604 /nfs/dbraw/zinc/53/76/04/358537604.db2.gz IGEMSZKBCSBJNI-KGLIPLIRSA-N 0 3 303.362 2.004 20 5 DEBDHN CN1CCCC(C)(C)[C@H]1CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596217850 358642892 /nfs/dbraw/zinc/64/28/92/358642892.db2.gz XUKQJRHBNCNQPJ-CQSZACIVSA-N 0 3 320.393 2.226 20 5 DEBDHN CCc1nn(C)c(N[C@@H](C)CN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000596489018 358697324 /nfs/dbraw/zinc/69/73/24/358697324.db2.gz SXJYPKXVYJJZBM-LBPRGKRZSA-N 0 3 309.414 2.423 20 5 DEBDHN O=c1[n-]ccc(NCC2CC[NH+](CC3CC3)CC2)c1[N+](=O)[O-] ZINC000596562656 358713588 /nfs/dbraw/zinc/71/35/88/358713588.db2.gz NAZCLPASMGFJHG-UHFFFAOYSA-N 0 3 306.366 2.229 20 5 DEBDHN CCCN1CC[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000596625042 358727265 /nfs/dbraw/zinc/72/72/65/358727265.db2.gz NRCIQGWYCQAFHE-NSHDSACASA-N 0 3 322.365 2.209 20 5 DEBDHN Cc1c(C(=O)N2CCC[C@@]3(CCN(C)C3)C2)cccc1[N+](=O)[O-] ZINC000597713071 358985031 /nfs/dbraw/zinc/98/50/31/358985031.db2.gz BQKHJTBEKYKWCB-KRWDZBQOSA-N 0 3 317.389 2.461 20 5 DEBDHN CCCN1CC[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000598343467 359170624 /nfs/dbraw/zinc/17/06/24/359170624.db2.gz WBSXNLGTUXSLSO-AWEZNQCLSA-N 0 3 319.405 2.473 20 5 DEBDHN CCc1ccc(C(=O)N(C)CCN(C)C2CC2)cc1[N+](=O)[O-] ZINC000186781468 200008821 /nfs/dbraw/zinc/00/88/21/200008821.db2.gz CJUKOGDGCHGHSA-UHFFFAOYSA-N 0 3 305.378 2.323 20 5 DEBDHN O=C(c1c(F)cccc1[N+](=O)[O-])N1CCC[C@H](N2CCCC2)C1 ZINC000601123390 359930670 /nfs/dbraw/zinc/93/06/70/359930670.db2.gz BMILVCRBLISQQX-LBPRGKRZSA-N 0 3 321.352 2.434 20 5 DEBDHN CC(C)N1CCN([C@@H]2CCN(c3ccsc3[N+](=O)[O-])C2)CC1 ZINC000601130071 359933057 /nfs/dbraw/zinc/93/30/57/359933057.db2.gz OWYWTTAIKNOZIU-CYBMUJFWSA-N 0 3 324.450 2.261 20 5 DEBDHN CCC[C@@H](CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)OC ZINC000602474665 360393551 /nfs/dbraw/zinc/39/35/51/360393551.db2.gz RDFACJRSUICRQG-OCCSQVGLSA-N 0 3 308.382 2.291 20 5 DEBDHN O=[N+]([O-])c1ccc(CN2CCCN(C[C@@H]3CCCO3)CC2)cc1 ZINC000603662032 360852610 /nfs/dbraw/zinc/85/26/10/360852610.db2.gz BLAHFKIMLMFDOX-KRWDZBQOSA-N 0 3 319.405 2.282 20 5 DEBDHN O=[N+]([O-])c1ccc(CN2CCCN(C[C@H]3CCCO3)CC2)cc1 ZINC000603662033 360852729 /nfs/dbraw/zinc/85/27/29/360852729.db2.gz BLAHFKIMLMFDOX-QGZVFWFLSA-N 0 3 319.405 2.282 20 5 DEBDHN CN1CC=C(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000271970312 209349490 /nfs/dbraw/zinc/34/94/90/209349490.db2.gz MUZPIGHDRSNTDD-UHFFFAOYSA-N 0 3 315.329 2.333 20 5 DEBDHN O=[N+]([O-])c1ccc2[nH]c(CN[C@H]3Cc4cccc(O)c4C3)nc2c1 ZINC000444708093 238255140 /nfs/dbraw/zinc/25/51/40/238255140.db2.gz OIAZKJZJEBBWQG-NSHDSACASA-N 0 3 324.340 2.434 20 5 DEBDHN C[C@@H](NC[C@H]1CNc2ccnn2C1)c1cccc([N+](=O)[O-])c1 ZINC000609406074 361309653 /nfs/dbraw/zinc/30/96/53/361309653.db2.gz IQIPSAWLCINWLP-NEPJUHHUSA-N 0 3 301.350 2.184 20 5 DEBDHN CCN(C[C@H]1CCOC1)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000611205228 361548295 /nfs/dbraw/zinc/54/82/95/361548295.db2.gz OQGUBSLGYVYUPM-CHWSQXEVSA-N 0 3 321.377 2.280 20 5 DEBDHN C[C@H]1C[C@H](CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000611293161 361573726 /nfs/dbraw/zinc/57/37/26/361573726.db2.gz UDOIZHACBHLAKV-NWDGAFQWSA-N 0 3 322.361 2.271 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](C)[C@@H]1CN(C)CCO1 ZINC000611336914 361581271 /nfs/dbraw/zinc/58/12/71/361581271.db2.gz GRALZNAEPZQNMH-XEZPLFJOSA-N 0 3 307.394 2.273 20 5 DEBDHN CC[C@H](N[C@H](C)[C@@H]1CN(C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000611336949 361581867 /nfs/dbraw/zinc/58/18/67/361581867.db2.gz QLABYKHLPLYZCS-KCXAZCMYSA-N 0 3 307.394 2.355 20 5 DEBDHN CN1CC[C@@H]2CCN(c3ncnc4ccc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000611713861 361665861 /nfs/dbraw/zinc/66/58/61/361665861.db2.gz IWELAKRZOUWHPB-ABAIWWIYSA-N 0 3 313.361 2.068 20 5 DEBDHN CC[C@H]1CN(C)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000619566967 363828025 /nfs/dbraw/zinc/82/80/25/363828025.db2.gz CWJJFVNQKRWHHV-NSHDSACASA-N 0 3 309.341 2.290 20 5 DEBDHN CO[C@@H]1[C@H](C)[C@H](NCC(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC000271825586 209248016 /nfs/dbraw/zinc/24/80/16/209248016.db2.gz CZPKNKGZQLRHAS-WKPIXPDZSA-N 0 3 321.377 2.182 20 5 DEBDHN C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CCN1C ZINC000091437634 193056431 /nfs/dbraw/zinc/05/64/31/193056431.db2.gz RGSCNHSCPMJRNP-ZJUUUORDSA-N 0 3 311.769 2.461 20 5 DEBDHN Cn1cnc([N+](=O)[O-])c1CN1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000451622811 243214146 /nfs/dbraw/zinc/21/41/46/243214146.db2.gz ASMDMRTXLILHRI-OLZOCXBDSA-N 0 3 320.393 2.109 20 5 DEBDHN CO[C@@H]1CCC[C@H]1N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000451633240 243236459 /nfs/dbraw/zinc/23/64/59/243236459.db2.gz QNZXHUWPLMBEBP-MPKXVKKWSA-N 0 3 307.350 2.079 20 5 DEBDHN C[C@@H](CCO)N(CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000093303487 193226709 /nfs/dbraw/zinc/22/67/09/193226709.db2.gz HFRIBSQLWZFMBH-AWEZNQCLSA-N 0 3 318.377 2.064 20 5 DEBDHN CCC[C@](C)(N)C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000262719404 203391335 /nfs/dbraw/zinc/39/13/35/203391335.db2.gz YATMNJPGIYASPK-INIZCTEOSA-N 0 3 322.409 2.339 20 5 DEBDHN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H](C)N1CCOCC1 ZINC000245453957 296151188 /nfs/dbraw/zinc/15/11/88/296151188.db2.gz GLKGACGIEURZAG-RDBSUJKOSA-N 0 3 307.394 2.355 20 5 DEBDHN CCC[C@](C)(O)CNCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000264869450 204224272 /nfs/dbraw/zinc/22/42/72/204224272.db2.gz RGXBOKNLIDXGOR-HNNXBMFYSA-N 0 3 312.366 2.253 20 5 DEBDHN C[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1Cl ZINC000266476134 205374260 /nfs/dbraw/zinc/37/42/60/205374260.db2.gz SFSUMBLYMAGZJD-PWSUYJOCSA-N 0 3 324.768 2.156 20 5 DEBDHN O=[N+]([O-])c1cccc(CNC[C@H]2CCC3(CCOCC3)[C@H]2O)c1 ZINC000282935402 217336925 /nfs/dbraw/zinc/33/69/25/217336925.db2.gz WWWVXQAWPZSRSP-ZBFHGGJFSA-N 0 3 320.389 2.252 20 5 DEBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000288475431 220165911 /nfs/dbraw/zinc/16/59/11/220165911.db2.gz QRMFDQWBEMWEBL-YPMHNXCESA-N 0 3 321.352 2.433 20 5 DEBDHN CS[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1N(C)C ZINC000282992866 217374411 /nfs/dbraw/zinc/37/44/11/217374411.db2.gz FDCDOFHGRAQPKJ-UONOGXRCSA-N 0 3 313.398 2.211 20 5 DEBDHN CC(C)(CNCc1cc(Cl)ccc1[N+](=O)[O-])OCCO ZINC000288543924 220220585 /nfs/dbraw/zinc/22/05/85/220220585.db2.gz WYOJLGCCBYNFEZ-UHFFFAOYSA-N 0 3 302.758 2.125 20 5 DEBDHN Cc1ccc(C(=O)N(C)[C@H]2CCN(C(C)C)C2)cc1[N+](=O)[O-] ZINC000457093014 247602307 /nfs/dbraw/zinc/60/23/07/247602307.db2.gz XYVBKULSTMLBJC-AWEZNQCLSA-N 0 3 305.378 2.458 20 5 DEBDHN Cc1c([C@H](C)NCCN2CCO[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000532485174 284697910 /nfs/dbraw/zinc/69/79/10/284697910.db2.gz JSTCVZKGIQRJSE-OCCSQVGLSA-N 0 3 307.394 2.275 20 5 DEBDHN COCCN(C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000104675637 194024363 /nfs/dbraw/zinc/02/43/63/194024363.db2.gz VBHWCWBKPKCDOE-UHFFFAOYSA-N 0 3 305.334 2.371 20 5 DEBDHN C[C@H](NC(=O)NC[C@H](C)N(C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000105159728 194080989 /nfs/dbraw/zinc/08/09/89/194080989.db2.gz FLBYMIYQGXEJHA-RYUDHWBXSA-N 0 3 320.393 2.438 20 5 DEBDHN O=[N+]([O-])c1ccccc1C[C@@H](NC[C@H](O)C(F)(F)F)C1CC1 ZINC000268889723 207059011 /nfs/dbraw/zinc/05/90/11/207059011.db2.gz ZTKUVSWVFYINDD-YPMHNXCESA-N 0 3 318.295 2.429 20 5 DEBDHN CCC[C@@H](NC[C@H](O)c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000268925148 207090734 /nfs/dbraw/zinc/09/07/34/207090734.db2.gz VRYKJGDOPJQRMS-CVEARBPZSA-N 0 3 318.377 2.493 20 5 DEBDHN CC1(C)CC[C@@H]1N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000554522954 291767576 /nfs/dbraw/zinc/76/75/76/291767576.db2.gz SIKHQZUALSBBSI-KBPBESRZSA-N 0 3 303.362 2.478 20 5 DEBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000157264632 197174597 /nfs/dbraw/zinc/17/45/97/197174597.db2.gz GNDQZQSAUXMQGR-BXUZGUMPSA-N 0 3 321.352 2.290 20 5 DEBDHN Cc1cc(C(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000157027464 197156768 /nfs/dbraw/zinc/15/67/68/197156768.db2.gz DMUUWAMVFUIZTH-HOCLYGCPSA-N 0 3 317.389 2.460 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)NC1(C2CC2)CC1 ZINC000542527433 285231737 /nfs/dbraw/zinc/23/17/37/285231737.db2.gz UQYQHUCCTJSLLK-JTQLQIEISA-N 0 3 319.361 2.463 20 5 DEBDHN Cc1cnn([C@@H]2CCN(CCOc3ccccc3[N+](=O)[O-])C2)c1 ZINC000289818143 221246620 /nfs/dbraw/zinc/24/66/20/221246620.db2.gz JDNSQFPVQUEUID-CQSZACIVSA-N 0 3 316.361 2.426 20 5 DEBDHN Cc1cnn([C@H]2CCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000290008579 221376269 /nfs/dbraw/zinc/37/62/69/221376269.db2.gz UIWXTRKLAGUVEN-HOTGVXAUSA-N 0 3 316.361 2.080 20 5 DEBDHN Cc1cnn([C@H]2CCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000290008583 221377005 /nfs/dbraw/zinc/37/70/05/221377005.db2.gz UIWXTRKLAGUVEN-JKSUJKDBSA-N 0 3 316.361 2.080 20 5 DEBDHN C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000355359555 133020765 /nfs/dbraw/zinc/02/07/65/133020765.db2.gz ZNFJEWGACKSVOZ-AGIUHOORSA-N 0 3 321.377 2.327 20 5 DEBDHN CCC[C@H](NC[C@H](O)[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000358050363 133118096 /nfs/dbraw/zinc/11/80/96/133118096.db2.gz TURZEWANCVXSMF-BPUTZDHNSA-N 0 3 308.378 2.423 20 5 DEBDHN CCOc1ccc([C@H](C)NC[C@@H](O)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000358060873 133118177 /nfs/dbraw/zinc/11/81/77/133118177.db2.gz LKMWXRDTOSKGGZ-CORIIIEPSA-N 0 3 324.377 2.042 20 5 DEBDHN C[C@@H]1CN(CCCCNc2ncc([N+](=O)[O-])s2)C[C@@H](C)O1 ZINC000190334483 145041048 /nfs/dbraw/zinc/04/10/48/145041048.db2.gz VCWHWGWJHOFLRE-GHMZBOCLSA-N 0 3 314.411 2.353 20 5 DEBDHN C[C@@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000193110436 145082641 /nfs/dbraw/zinc/08/26/41/145082641.db2.gz UGCLEGFXVFDJGN-DOMZBBRYSA-N 0 3 317.345 2.080 20 5 DEBDHN C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)N1CCC[C@@H](C)C1 ZINC000246465254 145103691 /nfs/dbraw/zinc/10/36/91/145103691.db2.gz NOHGMSHGURSQBO-VXGBXAGGSA-N 0 3 320.393 2.027 20 5 DEBDHN O=[N+]([O-])c1cccc(OCCN2CC[C@@H]3OCCC[C@H]3C2)c1 ZINC000247009537 145123166 /nfs/dbraw/zinc/12/31/66/145123166.db2.gz ZBTMJZCZTYGDKI-BBRMVZONSA-N 0 3 306.362 2.475 20 5 DEBDHN CCOc1ccc([C@H](C)N[C@@H](C)C[S@@](C)=O)cc1[N+](=O)[O-] ZINC000248447443 145155688 /nfs/dbraw/zinc/15/56/88/145155688.db2.gz DDJKQFFGXDZGFO-ZPMVXHMNSA-N 0 3 314.407 2.411 20 5 DEBDHN O=C(NC[C@H]1NCCc2ccccc21)c1csc([N+](=O)[O-])c1 ZINC000262463005 145285793 /nfs/dbraw/zinc/28/57/93/145285793.db2.gz ISDMIBRAVSTKCN-CYBMUJFWSA-N 0 3 317.370 2.273 20 5 DEBDHN CCS[C@H]1CCC[C@@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000348474060 146276062 /nfs/dbraw/zinc/27/60/62/146276062.db2.gz AHRAUFGQUKTAKM-JSGCOSHPSA-N 0 3 323.418 2.458 20 5 DEBDHN Cc1ccc([C@@H](C)N[C@H](CO)C2CCOCC2)cc1[N+](=O)[O-] ZINC000360816487 147389189 /nfs/dbraw/zinc/38/91/89/147389189.db2.gz NXVWXHAVAWFOEA-IUODEOHRSA-N 0 3 308.378 2.341 20 5 DEBDHN C[C@@H](NCCN1C[C@H]2CC[C@@H](C1)O2)c1cccc([N+](=O)[O-])c1 ZINC000371477784 148108030 /nfs/dbraw/zinc/10/80/30/148108030.db2.gz PAZJTEFEZQBXBI-WQVCFCJDSA-N 0 3 305.378 2.109 20 5 DEBDHN CCN(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)CC(C)C ZINC000114725519 401808358 /nfs/dbraw/zinc/80/83/58/401808358.db2.gz QJBIUOPIDNGOPJ-UHFFFAOYSA-N 0 3 323.349 2.240 20 5 DEBDHN CN(C(=O)CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(C)C1 ZINC000087330809 401930993 /nfs/dbraw/zinc/93/09/93/401930993.db2.gz GRWDTYAHAKOKQR-OAHLLOKOSA-N 0 3 305.378 2.080 20 5 DEBDHN COCCOCCCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000035368223 401898676 /nfs/dbraw/zinc/89/86/76/401898676.db2.gz PKXJSRJIUYMNGV-UHFFFAOYSA-N 0 3 302.758 2.391 20 5 DEBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000046954353 401976612 /nfs/dbraw/zinc/97/66/12/401976612.db2.gz HQLJFOPJHIJXTN-RYUDHWBXSA-N 0 3 320.393 2.148 20 5 DEBDHN C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](C)C1 ZINC000047213345 401979915 /nfs/dbraw/zinc/97/99/15/401979915.db2.gz ZOTWRYUUQPCPGC-KBPBESRZSA-N 0 3 319.405 2.374 20 5 DEBDHN CCCN1CCC[C@H]1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000089301574 401941542 /nfs/dbraw/zinc/94/15/42/401941542.db2.gz XAHXKFTWNHGHBS-HNNXBMFYSA-N 0 3 305.378 2.128 20 5 DEBDHN C[C@@H]1CCCN(C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000053404513 402055601 /nfs/dbraw/zinc/05/56/01/402055601.db2.gz ABJLEWUHQGCKOI-LLVKDONJSA-N 0 3 309.366 2.428 20 5 DEBDHN COc1ccc(OCCN2CCC[C@H](C)[C@H]2CO)c([N+](=O)[O-])c1 ZINC000122365277 402075260 /nfs/dbraw/zinc/07/52/60/402075260.db2.gz JOUPJAXDTGFFQC-SWLSCSKDSA-N 0 3 324.377 2.075 20 5 DEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC3(CCC3)C2)c1 ZINC000123412069 402126535 /nfs/dbraw/zinc/12/65/35/402126535.db2.gz QLOYLRVGNRROLU-CQSZACIVSA-N 0 3 306.362 2.211 20 5 DEBDHN O=[N+]([O-])c1ccccc1OCCN(CCO)Cc1ccccc1 ZINC000103140285 402179589 /nfs/dbraw/zinc/17/95/89/402179589.db2.gz QHBGPPFPPYELDU-UHFFFAOYSA-N 0 3 316.357 2.468 20 5 DEBDHN Cc1cc(C(=O)NCCN2CCCCCC2)c(N)c([N+](=O)[O-])c1 ZINC000104143186 402198890 /nfs/dbraw/zinc/19/88/90/402198890.db2.gz GXRJWJCPFALDSY-UHFFFAOYSA-N 0 3 320.393 2.091 20 5 DEBDHN CN(CCC(=O)OC(C)(C)C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154448536 402213434 /nfs/dbraw/zinc/21/34/34/402213434.db2.gz KIJBMLOWFPOOMA-AWEZNQCLSA-N 0 3 324.377 2.292 20 5 DEBDHN CN1CCC[C@H](CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000108338943 402250878 /nfs/dbraw/zinc/25/08/78/402250878.db2.gz AHJZKSVQCJMLMW-HSBSLETESA-N 0 3 303.362 2.066 20 5 DEBDHN Cc1nc2n(n1)C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000105934400 402211228 /nfs/dbraw/zinc/21/12/28/402211228.db2.gz ORTFKOKOUAWSRX-MFKMUULPSA-N 0 3 301.350 2.160 20 5 DEBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000195621194 402273609 /nfs/dbraw/zinc/27/36/09/402273609.db2.gz HGGMCJZNMJQKHS-OLZOCXBDSA-N 0 3 305.378 2.445 20 5 DEBDHN Cc1nc2n(n1)C[C@@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1C)CC2 ZINC000160438139 402345557 /nfs/dbraw/zinc/34/55/57/402345557.db2.gz WDTVBIGSKGKCRV-YPMHNXCESA-N 0 3 315.377 2.469 20 5 DEBDHN CC(C)NC(=O)CN[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000160915185 402365423 /nfs/dbraw/zinc/36/54/23/402365423.db2.gz AZQGNZYRHYLPDU-AWEZNQCLSA-N 0 3 305.378 2.030 20 5 DEBDHN Cc1c(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000177198820 402380685 /nfs/dbraw/zinc/38/06/85/402380685.db2.gz DWJXUEWIHPUHOY-CMPLNLGQSA-N 0 3 303.362 2.258 20 5 DEBDHN CC[C@@H]1CCCCN1CCNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000176682545 402328086 /nfs/dbraw/zinc/32/80/86/402328086.db2.gz NWHIYICWAZGWIY-GFCCVEGCSA-N 0 3 320.393 2.171 20 5 DEBDHN C[C@H]1C[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000177662078 402424355 /nfs/dbraw/zinc/42/43/55/402424355.db2.gz SBRQNZQTWRIDNZ-AAEUAGOBSA-N 0 3 318.377 2.019 20 5 DEBDHN C[C@@H]1C[C@@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000177731361 402431131 /nfs/dbraw/zinc/43/11/31/402431131.db2.gz FJJSEQXQVVGQFB-DGCLKSJQSA-N 0 3 318.377 2.019 20 5 DEBDHN Cc1c(C(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)cccc1[N+](=O)[O-] ZINC000164614198 402465674 /nfs/dbraw/zinc/46/56/74/402465674.db2.gz KASANQNTZZAJHL-CJNGLKHVSA-N 0 3 317.389 2.460 20 5 DEBDHN Cc1c(CC(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000245908279 402496131 /nfs/dbraw/zinc/49/61/31/402496131.db2.gz CSYSEWCORUATEJ-IUODEOHRSA-N 0 3 319.405 2.244 20 5 DEBDHN C[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000171694175 402610658 /nfs/dbraw/zinc/61/06/58/402610658.db2.gz YTFKNKMWHCQPNJ-LLVKDONJSA-N 0 3 309.391 2.361 20 5 DEBDHN COc1cccc(C(=O)N(C)CC2CCN(C)CC2)c1[N+](=O)[O-] ZINC000192522476 402734678 /nfs/dbraw/zinc/73/46/78/402734678.db2.gz LZVGELGCHORAAM-UHFFFAOYSA-N 0 3 321.377 2.017 20 5 DEBDHN C[C@@H](CN1CCOCC1)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192674415 402743640 /nfs/dbraw/zinc/74/36/40/402743640.db2.gz UINDBFSKKUQASE-SUMWQHHRSA-N 0 3 319.405 2.283 20 5 DEBDHN Cc1c([C@H](C)NCCOc2ccccc2[N+](=O)[O-])cnn1C ZINC000183381503 402761971 /nfs/dbraw/zinc/76/19/71/402761971.db2.gz JTTDJULZBGBVQM-NSHDSACASA-N 0 3 304.350 2.366 20 5 DEBDHN COc1cc(CN[C@H](CO)C(C)(C)C)c([N+](=O)[O-])cc1F ZINC000193099601 402764985 /nfs/dbraw/zinc/76/49/85/402764985.db2.gz TXJPFJWLZXVQKW-CYBMUJFWSA-N 0 3 300.330 2.239 20 5 DEBDHN COc1ccc(CNC2CCC(NC(C)=O)CC2)cc1[N+](=O)[O-] ZINC000264373201 402872454 /nfs/dbraw/zinc/87/24/54/402872454.db2.gz VFQKKQGGMNBXEW-UHFFFAOYSA-N 0 3 321.377 2.140 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000278893405 402883137 /nfs/dbraw/zinc/88/31/37/402883137.db2.gz ZQUKMVOELXHLET-WCQYABFASA-N 0 3 303.362 2.116 20 5 DEBDHN COc1cc(N2CC[C@@H]3CCN(C)C[C@H]32)c(F)cc1[N+](=O)[O-] ZINC000272176136 402906225 /nfs/dbraw/zinc/90/62/25/402906225.db2.gz JIABTCBEBZDMFQ-IINYFYTJSA-N 0 3 309.341 2.273 20 5 DEBDHN CN(C)[C@@H]1CCCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000265767306 402947498 /nfs/dbraw/zinc/94/74/98/402947498.db2.gz HLFOBXUWCCEIGC-OAHLLOKOSA-N 0 3 319.405 2.425 20 5 DEBDHN C[C@@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000273277099 402989893 /nfs/dbraw/zinc/98/98/93/402989893.db2.gz HWWBPXYJPSZDLM-LLVKDONJSA-N 0 3 317.349 2.008 20 5 DEBDHN C[C@@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CN1C1CC1 ZINC000273343495 402996067 /nfs/dbraw/zinc/99/60/67/402996067.db2.gz AZEMVWXZTYKCAA-NXEZZACHSA-N 0 3 322.340 2.481 20 5 DEBDHN COc1ccc(OCCN[C@@H](C)c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000273361847 402997915 /nfs/dbraw/zinc/99/79/15/402997915.db2.gz JOEHDRTUWOBVSI-NSHDSACASA-N 0 3 320.349 2.067 20 5 DEBDHN CC[C@@H]1CN([C@H](C)c2ccccc2[N+](=O)[O-])CCN1C[C@H](C)O ZINC000266544505 402972734 /nfs/dbraw/zinc/97/27/34/402972734.db2.gz RMIIGALDHHYYEV-RRFJBIMHSA-N 0 3 321.421 2.433 20 5 DEBDHN Cc1ccc(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000268247779 403066470 /nfs/dbraw/zinc/06/64/70/403066470.db2.gz PZFKWNVLYVKWKA-SMDDNHRTSA-N 0 3 303.362 2.116 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000275494999 403103071 /nfs/dbraw/zinc/10/30/71/403103071.db2.gz BWTJKPCUULOFFY-DOMZBBRYSA-N 0 3 318.377 2.461 20 5 DEBDHN CCNC(=O)[C@@H](C)N[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000268732228 403110712 /nfs/dbraw/zinc/11/07/12/403110712.db2.gz OMYBVWBDIZXTSD-RISCZKNCSA-N 0 3 305.378 2.030 20 5 DEBDHN COCC1(C[NH2+]Cc2cc(OC)c([O-])cc2[N+](=O)[O-])CCC1 ZINC000282122828 403124739 /nfs/dbraw/zinc/12/47/39/403124739.db2.gz UVQCNIIQAHGQRP-UHFFFAOYSA-N 0 3 310.350 2.215 20 5 DEBDHN O=C(NC[C@@H]1CCCCN1C1CC1)c1ccccc1[N+](=O)[O-] ZINC000277609086 403236164 /nfs/dbraw/zinc/23/61/64/403236164.db2.gz VCAUNWOYCMDPST-ZDUSSCGKSA-N 0 3 303.362 2.342 20 5 DEBDHN C[C@@H]1CSCCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283352092 403191460 /nfs/dbraw/zinc/19/14/60/403191460.db2.gz QZPMBOIMDJMSSJ-LLVKDONJSA-N 0 3 309.391 2.361 20 5 DEBDHN C[C@H](O)[C@H]1C[C@H](C)CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000331292418 403371490 /nfs/dbraw/zinc/37/14/90/403371490.db2.gz QADCTTAZPOCHDJ-VNHYZAJKSA-N 0 3 308.378 2.455 20 5 DEBDHN C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C)C1 ZINC000298496194 403396845 /nfs/dbraw/zinc/39/68/45/403396845.db2.gz LTFPUBGGHDNTLP-CHWSQXEVSA-N 0 3 305.378 2.445 20 5 DEBDHN C[C@H]1C[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCN1C ZINC000342935000 403402760 /nfs/dbraw/zinc/40/27/60/403402760.db2.gz QFOZEVVXEFGRLF-WDEREUQCSA-N 0 3 316.361 2.289 20 5 DEBDHN CN(C)CCSCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000339741440 403435677 /nfs/dbraw/zinc/43/56/77/403435677.db2.gz RXFAAWAMGLBZHO-UHFFFAOYSA-N 0 3 317.798 2.482 20 5 DEBDHN O=[N+]([O-])c1ccccc1CN[C@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000339764939 403442111 /nfs/dbraw/zinc/44/21/11/403442111.db2.gz VJZKVQMYWOXWBD-CVEARBPZSA-N 0 3 306.362 2.005 20 5 DEBDHN Cc1c(CN[C@H](C2CC2)[C@]2(CO)CCCO2)cccc1[N+](=O)[O-] ZINC000339769540 403443429 /nfs/dbraw/zinc/44/34/29/403443429.db2.gz NPKYOTHEVIMIBM-IAGOWNOFSA-N 0 3 320.389 2.313 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CCN1CCCC1 ZINC000345764940 403474695 /nfs/dbraw/zinc/47/46/95/403474695.db2.gz OCOVYKQDDINSEW-UHFFFAOYSA-N 0 3 322.365 2.163 20 5 DEBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000299076065 403515010 /nfs/dbraw/zinc/51/50/10/403515010.db2.gz HTCANWJGSDNJLE-KGLIPLIRSA-N 0 3 319.405 2.374 20 5 DEBDHN CC[C@@H](C)N[C@H](CNc1c([N+](=O)[O-])ncn1C)c1ccco1 ZINC000343272693 403521102 /nfs/dbraw/zinc/52/11/02/403521102.db2.gz VMIXVVCVNWUTPZ-GHMZBOCLSA-N 0 3 307.354 2.463 20 5 DEBDHN C[C@@H]1CN[C@@H](C)[C@H](C)N1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC001354891297 1151951756 /nfs/dbraw/zinc/95/17/56/1151951756.db2.gz BFVKJYPALGPKPR-AGIUHOORSA-N 0 3 305.378 2.125 20 5 DEBDHN CCN1CCN([C@H](C)CNc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000301496239 403638169 /nfs/dbraw/zinc/63/81/69/403638169.db2.gz BDOYIVGYKRCHGL-CQSZACIVSA-N 0 3 306.410 2.341 20 5 DEBDHN C[C@@H]1[C@@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCCN1C ZINC000347262627 403641171 /nfs/dbraw/zinc/64/11/71/403641171.db2.gz NCZXNFMGCUQXSK-RNCFNFMXSA-N 0 3 310.329 2.338 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000294155064 403660554 /nfs/dbraw/zinc/66/05/54/403660554.db2.gz NRGUVOJTRAKZAF-QGZVFWFLSA-N 0 3 317.389 2.461 20 5 DEBDHN COC(=O)[C@@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])[C@H]1C ZINC000347320307 403662498 /nfs/dbraw/zinc/66/24/98/403662498.db2.gz WTEJJVXNQYQVTQ-LFHSMUGYSA-N 0 3 304.346 2.491 20 5 DEBDHN Cc1cc(N[C@H](C)CN(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000343791344 403735479 /nfs/dbraw/zinc/73/54/79/403735479.db2.gz MCHJSUBAMCIWTK-GFCCVEGCSA-N 0 3 315.377 2.144 20 5 DEBDHN CO[C@@H]1CCCC[C@@H]1NCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000361747711 403840398 /nfs/dbraw/zinc/84/03/98/403840398.db2.gz CYOZDEKGJCSORS-DZGCQCFKSA-N 0 3 321.377 2.389 20 5 DEBDHN CCN(CCOCCO)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000337386712 403988529 /nfs/dbraw/zinc/98/85/29/403988529.db2.gz LSJOKIWRKSUZIS-KAMYIIQDSA-N 0 3 308.378 2.329 20 5 DEBDHN COC(=O)[C@@]1(C)CN(CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000337418879 404010004 /nfs/dbraw/zinc/01/00/04/404010004.db2.gz AKCZDECAXGGYLA-WBMJQRKESA-N 0 3 322.361 2.105 20 5 DEBDHN C[C@@H](CN1CCCCC1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344205303 403977251 /nfs/dbraw/zinc/97/72/51/403977251.db2.gz FPTLORJKFDEGNG-NSHDSACASA-N 0 3 309.341 2.338 20 5 DEBDHN CNc1ccc(C(=O)N(CCN(C)C)CC(C)C)cc1[N+](=O)[O-] ZINC000320226673 404062818 /nfs/dbraw/zinc/06/28/18/404062818.db2.gz HSNPTXAUJMUHHP-UHFFFAOYSA-N 0 3 322.409 2.296 20 5 DEBDHN CC(C)C[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)N(C)C ZINC000344435959 404136952 /nfs/dbraw/zinc/13/69/52/404136952.db2.gz FCPCQPCJDLRKRU-AWEZNQCLSA-N 0 3 311.357 2.440 20 5 DEBDHN CCCN(CCN(C)C)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412206633 404188780 /nfs/dbraw/zinc/18/87/80/404188780.db2.gz NEDITEMNCBHRNL-JKSUJKDBSA-N 0 3 319.405 2.499 20 5 DEBDHN CN(C[C@@H](O)COc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000290518595 404202263 /nfs/dbraw/zinc/20/22/63/404202263.db2.gz CFFDRRMLGLHPMO-LLVKDONJSA-N 0 3 300.742 2.082 20 5 DEBDHN COc1cc(C[NH2+]CCc2cccc(C)n2)c([N+](=O)[O-])cc1[O-] ZINC000355203421 404279190 /nfs/dbraw/zinc/27/91/90/404279190.db2.gz PZQMSMYBZGYUJV-UHFFFAOYSA-N 0 3 317.345 2.345 20 5 DEBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N(C)CCN1CCCC1 ZINC000342070804 404346731 /nfs/dbraw/zinc/34/67/31/404346731.db2.gz GCKJUWMPURJYSA-UHFFFAOYSA-N 0 3 321.377 2.222 20 5 DEBDHN CN(C[C@H](O)COc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000290798813 404317376 /nfs/dbraw/zinc/31/73/76/404317376.db2.gz PGRHGDMUJHNURO-NSHDSACASA-N 0 3 300.742 2.082 20 5 DEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCC(=O)NCC1CC1 ZINC000344834700 404394738 /nfs/dbraw/zinc/39/47/38/404394738.db2.gz POKWPXKUMSFXHE-KPKJPENVSA-N 0 3 303.362 2.114 20 5 DEBDHN C[C@@H]1CCC[C@@H](C)N1CCNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000342222292 404450743 /nfs/dbraw/zinc/45/07/43/404450743.db2.gz LCMKKJYHIRURMO-VXGBXAGGSA-N 0 3 320.393 2.369 20 5 DEBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCc2cccnc2)n1 ZINC000351526340 404627258 /nfs/dbraw/zinc/62/72/58/404627258.db2.gz WTGPVWSCQRBECK-ZIAGYGMSSA-N 0 3 301.350 2.460 20 5 DEBDHN CC1(C)CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000330453594 404664208 /nfs/dbraw/zinc/66/42/08/404664208.db2.gz LNVXHNVUFMWHAQ-AWEZNQCLSA-N 0 3 308.378 2.457 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000374889590 404713211 /nfs/dbraw/zinc/71/32/11/404713211.db2.gz CIQTWBVVAMCMLC-SWLSCSKDSA-N 0 3 303.362 2.069 20 5 DEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(C3CCCC3)CC2)c1 ZINC000377909261 404850919 /nfs/dbraw/zinc/85/09/19/404850919.db2.gz KRANFZRPNSLDQG-MRXNPFEDSA-N 0 3 322.409 2.054 20 5 DEBDHN COc1ccc(OCCN2CC[C@@H](SC)C2)c([N+](=O)[O-])c1 ZINC000451321169 404953250 /nfs/dbraw/zinc/95/32/50/404953250.db2.gz NIAYBPLWJBQSIN-GFCCVEGCSA-N 0 3 312.391 2.420 20 5 DEBDHN CNc1c(C(=O)NCCN2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000361139865 404940879 /nfs/dbraw/zinc/94/08/79/404940879.db2.gz GEQQXSCXSQRLEX-UHFFFAOYSA-N 0 3 320.393 2.098 20 5 DEBDHN CN1C[C@@H]2CCCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000424117338 405013055 /nfs/dbraw/zinc/01/30/55/405013055.db2.gz YWPFAQHGWPMTFI-IINYFYTJSA-N 0 3 322.340 2.292 20 5 DEBDHN CCC[C@@H](O)[C@@H](CO)NCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000419835709 405269237 /nfs/dbraw/zinc/26/92/37/405269237.db2.gz YRMPPOBUMSSTMB-GDBMZVCRSA-N 0 3 310.394 2.330 20 5 DEBDHN C[C@@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H](C)[C@H]1C ZINC000419375140 405244896 /nfs/dbraw/zinc/24/48/96/405244896.db2.gz QZNFZQKZIZFBMU-AGIUHOORSA-N 0 3 317.389 2.460 20 5 DEBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)C1CC(OC(C)(C)C)C1 ZINC000421012778 405429046 /nfs/dbraw/zinc/42/90/46/405429046.db2.gz QJRSGJWJWDKAFV-UHFFFAOYSA-N 0 3 323.393 2.034 20 5 DEBDHN CN(C)C[C@H]1CCCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000492055592 405471316 /nfs/dbraw/zinc/47/13/16/405471316.db2.gz DHOKHZGFVFQVKP-YYRKOSNBSA-N 0 3 303.362 2.161 20 5 DEBDHN CN(C[C@H]1CCCN1C)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000421706404 405598718 /nfs/dbraw/zinc/59/87/18/405598718.db2.gz URHUIEHXNUTCAU-SNVBAGLBSA-N 0 3 311.769 2.414 20 5 DEBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@H]1CCN(C2CC2)C1 ZINC000557533115 405603314 /nfs/dbraw/zinc/60/33/14/405603314.db2.gz IZQWKDUTBMJINI-NSHDSACASA-N 0 3 319.361 2.338 20 5 DEBDHN COc1c(C(=O)NCCN2CCCC2(C)C)cccc1[N+](=O)[O-] ZINC000457066948 405677800 /nfs/dbraw/zinc/67/78/00/405677800.db2.gz ZVBSMVZOIXXMOJ-UHFFFAOYSA-N 0 3 321.377 2.208 20 5 DEBDHN CCCc1[n-]nc(C(=O)Nc2ccc3c(c2)C[NH2+]C3)c1[N+](=O)[O-] ZINC000449672765 405680649 /nfs/dbraw/zinc/68/06/49/405680649.db2.gz NEQWIZQVYWKGOZ-UHFFFAOYSA-N 0 3 315.333 2.126 20 5 DEBDHN CCCc1[nH]nc(C(=O)Nc2ccc3c(c2)CNC3)c1[N+](=O)[O-] ZINC000449672765 405680654 /nfs/dbraw/zinc/68/06/54/405680654.db2.gz NEQWIZQVYWKGOZ-UHFFFAOYSA-N 0 3 315.333 2.126 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000457078067 405683767 /nfs/dbraw/zinc/68/37/67/405683767.db2.gz AOTAGASPOGRPHA-CYBMUJFWSA-N 0 3 305.378 2.458 20 5 DEBDHN CC(C)N1CC[C@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000457093650 405694786 /nfs/dbraw/zinc/69/47/86/405694786.db2.gz YLPOKNGRFRFGCT-HNNXBMFYSA-N 0 3 305.378 2.078 20 5 DEBDHN O=[N+]([O-])c1cccc(CN2CCC[C@@H](N3CCOCC3)CC2)c1 ZINC000559758081 405752403 /nfs/dbraw/zinc/75/24/03/405752403.db2.gz DFIMWNMATFGLNP-MRXNPFEDSA-N 0 3 319.405 2.282 20 5 DEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCc1cccs1 ZINC000561069949 405887169 /nfs/dbraw/zinc/88/71/69/405887169.db2.gz OTBSBOAICVCSMW-NSHDSACASA-N 0 3 308.359 2.186 20 5 DEBDHN CCOC[C@@H](O)CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433239976 405904866 /nfs/dbraw/zinc/90/48/66/405904866.db2.gz JWAYQNDEODWWOW-SWLSCSKDSA-N 0 3 308.378 2.304 20 5 DEBDHN COC(=O)N1CCC(CNCc2csc([N+](=O)[O-])c2)CC1 ZINC000496442752 405979416 /nfs/dbraw/zinc/97/94/16/405979416.db2.gz JGEZRJHWKSWQEU-UHFFFAOYSA-N 0 3 313.379 2.224 20 5 DEBDHN CCc1nn(C)c(NC[C@H]2CCCCN2C2CC2)c1[N+](=O)[O-] ZINC000433809435 405985849 /nfs/dbraw/zinc/98/58/49/405985849.db2.gz UUVVMSFBMZGSER-GFCCVEGCSA-N 0 3 307.398 2.320 20 5 DEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000459780855 406043670 /nfs/dbraw/zinc/04/36/70/406043670.db2.gz NMSYRJQHPTUTJH-UGFHNGPFSA-N 0 3 324.402 2.147 20 5 DEBDHN Cn1ccnc1[C@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000534580291 406191624 /nfs/dbraw/zinc/19/16/24/406191624.db2.gz ZTYDIAPOORLIQV-ZDUSSCGKSA-N 0 3 316.361 2.197 20 5 DEBDHN O=C(CCNCc1ccc([N+](=O)[O-])cc1)Nc1ccccn1 ZINC000537507840 406291567 /nfs/dbraw/zinc/29/15/67/406291567.db2.gz WMEJWSNCPHESKP-UHFFFAOYSA-N 0 3 300.318 2.108 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)n1 ZINC000488715808 406340248 /nfs/dbraw/zinc/34/02/48/406340248.db2.gz BEARPEUWXBWGFG-TYNCELHUSA-N 0 3 304.394 2.465 20 5 DEBDHN CSc1ccc(C(=O)NCCN2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000524776215 406459835 /nfs/dbraw/zinc/45/98/35/406459835.db2.gz DKTZXBUZLOMGTC-LLVKDONJSA-N 0 3 323.418 2.388 20 5 DEBDHN CN(C)C[C@H]1CCCN1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000491462969 406598104 /nfs/dbraw/zinc/59/81/04/406598104.db2.gz HUUAHZKRFMLFNO-WHLNPGIBSA-N 0 3 303.362 2.161 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1CNC[C@@H](O)Cc1ccccc1 ZINC000572869543 406755378 /nfs/dbraw/zinc/75/53/78/406755378.db2.gz ARCSTNHJKBZEKV-INIZCTEOSA-N 0 3 316.357 2.297 20 5 DEBDHN CN(C)C/C=C\C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000491889060 406764730 /nfs/dbraw/zinc/76/47/30/406764730.db2.gz XRLINGJGJQXVES-ALCCZGGFSA-N 0 3 305.378 2.152 20 5 DEBDHN C[C@H]1CCN(CCNC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000491922967 406778612 /nfs/dbraw/zinc/77/86/12/406778612.db2.gz BLGZXGYKRNAYNM-PYEVWLCESA-N 0 3 321.352 2.205 20 5 DEBDHN C[C@H](C(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000555312661 406840445 /nfs/dbraw/zinc/84/04/45/406840445.db2.gz SJDFANPZIQAFHI-HEHGZKQESA-N 0 3 319.405 2.497 20 5 DEBDHN Cc1c(CC(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000129172897 196025723 /nfs/dbraw/zinc/02/57/23/196025723.db2.gz LGTQFUMYPHBFDM-SMDDNHRTSA-N 0 3 317.389 2.187 20 5 DEBDHN CC(C)C[C@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])N(C)C ZINC000132518061 196262219 /nfs/dbraw/zinc/26/22/19/196262219.db2.gz BLBCBOBKOMHBQT-GFCCVEGCSA-N 0 3 311.357 2.440 20 5 DEBDHN O=[N+]([O-])c1ccc(NCCN2CCC(O)CC2)c2ncccc12 ZINC000295909422 225367600 /nfs/dbraw/zinc/36/76/00/225367600.db2.gz FOEFONNKLWQQBO-UHFFFAOYSA-N 0 3 316.361 2.012 20 5 DEBDHN CC[C@H](C)N[C@@H](CNc1ncc([N+](=O)[O-])c(C)n1)c1ccco1 ZINC000450531420 425075631 /nfs/dbraw/zinc/07/56/31/425075631.db2.gz SRXVRVSRKDFTBE-JQWIXIFHSA-N 0 3 319.365 2.828 20 5 DEBDHN C[C@H]1[C@@H](Nc2nc3ccccc3cc2[N+](=O)[O-])CCCN1C ZINC000352361019 425045570 /nfs/dbraw/zinc/04/55/70/425045570.db2.gz PQYDIPSUKFENCH-AAEUAGOBSA-N 0 3 300.362 3.038 20 5 DEBDHN C[C@H]1C[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCN1C ZINC000334042446 269010141 /nfs/dbraw/zinc/01/01/41/269010141.db2.gz NATUQXBHOONLPN-JOYOIKCWSA-N 0 3 311.769 2.461 20 5 DEBDHN CO[C@@H]([C@@H](C)N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000414193745 274062034 /nfs/dbraw/zinc/06/20/34/274062034.db2.gz URQHAOMBBSLUOC-HFAKWTLXSA-N 0 3 321.377 2.325 20 5 DEBDHN C[C@@H](CNc1c(C(N)=O)cccc1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000420590494 274226185 /nfs/dbraw/zinc/22/61/85/274226185.db2.gz VMMYMYSGQLSUBH-RYUDHWBXSA-N 0 3 320.393 2.226 20 5 DEBDHN C[C@H]1CN(c2ccc([N+](=O)[O-])cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000374308724 274594428 /nfs/dbraw/zinc/59/44/28/274594428.db2.gz HHBJCTMXPYWXLL-YOEHRIQHSA-N 0 3 318.421 2.057 20 5 DEBDHN CCC[C@H](C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)N(C)C ZINC000359638918 276037776 /nfs/dbraw/zinc/03/77/76/276037776.db2.gz RZZFLNUUCWIQCX-CQSZACIVSA-N 0 3 321.377 2.046 20 5 DEBDHN CN1CC[C@@H]2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000369844015 277141589 /nfs/dbraw/zinc/14/15/89/277141589.db2.gz AAGOGEMYLDPBBG-RISCZKNCSA-N 0 3 304.350 2.153 20 5 DEBDHN CS[C@H]1CN(c2ccc(N)cc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000286802547 278167953 /nfs/dbraw/zinc/16/79/53/278167953.db2.gz KNXAKEAOAUSUJH-GJZGRUSLSA-N 0 3 322.434 2.193 20 5 DEBDHN C[C@@H](NC[C@@H]1CN(C2CC2)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000358173070 278352134 /nfs/dbraw/zinc/35/21/34/278352134.db2.gz IYJMEUHQSWTGCT-MLGOLLRUSA-N 0 3 305.378 2.109 20 5 DEBDHN C[C@@H]1[C@@H](Nc2ncnc3cccc([N+](=O)[O-])c32)CCCN1C ZINC000347881906 279093666 /nfs/dbraw/zinc/09/36/66/279093666.db2.gz PARZPDVQPDOEOK-MNOVXSKESA-N 0 3 301.350 2.433 20 5 DEBDHN C[C@H](CN1CCCCC1)NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000077509682 279303074 /nfs/dbraw/zinc/30/30/74/279303074.db2.gz WJPLHKNLMOOLSA-LLVKDONJSA-N 0 3 309.341 2.338 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@@H](C(=O)N(C)C)C1 ZINC000411936285 281020670 /nfs/dbraw/zinc/02/06/70/281020670.db2.gz FLCXYIPOXGKWBV-CHWSQXEVSA-N 0 3 305.378 2.374 20 5 DEBDHN C[C@H](C(=O)N1CCN(C)CC[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000347952626 289284448 /nfs/dbraw/zinc/28/44/48/289284448.db2.gz YMIWTUAGFRBKBE-RYUDHWBXSA-N 0 3 323.368 2.390 20 5 DEBDHN Cc1cnc(N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000488718817 302351257 /nfs/dbraw/zinc/35/12/57/302351257.db2.gz HGKZYWCETGNKFS-MGPQQGTHSA-N 0 3 304.394 2.465 20 5 DEBDHN Cc1ccc(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000573352881 326048935 /nfs/dbraw/zinc/04/89/35/326048935.db2.gz LAVBJXBCZDSABC-GFCCVEGCSA-N 0 3 322.386 2.494 20 5 DEBDHN O=C(CCNCCC(F)(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000584108118 331742711 /nfs/dbraw/zinc/74/27/11/331742711.db2.gz NFVPIOZMJNDORA-UHFFFAOYSA-N 0 3 305.256 2.465 20 5 DEBDHN CCOc1ccc(NC(=O)CNC2(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000583779244 337332361 /nfs/dbraw/zinc/33/23/61/337332361.db2.gz KJSYEZUZBIEZOF-UHFFFAOYSA-N 0 3 319.361 2.464 20 5 DEBDHN O=[N+]([O-])c1ccc([C@H](O)CN(CCO)Cc2ccccc2)cc1 ZINC000584596192 337374203 /nfs/dbraw/zinc/37/42/03/337374203.db2.gz ZRVJXVGUZUFOOO-QGZVFWFLSA-N 0 3 316.357 2.123 20 5 DEBDHN CCCN1CCC[C@@H]1C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000338168806 519852158 /nfs/dbraw/zinc/85/21/58/519852158.db2.gz HCHLZBMWOONVRQ-MRXNPFEDSA-N 0 3 319.405 2.470 20 5 DEBDHN CCOC(=O)[C@@H](C)[C@H](C)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000338305608 521043496 /nfs/dbraw/zinc/04/34/96/521043496.db2.gz SNTSVBWLDHLLQP-QWRGUYRKSA-N 0 3 310.350 2.281 20 5 DEBDHN CN1CCN(CCCSCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000131118438 523900474 /nfs/dbraw/zinc/90/04/74/523900474.db2.gz DWXVSPKMTDFHRT-UHFFFAOYSA-N 0 3 309.435 2.466 20 5 DEBDHN CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@@H](N2CCCC2)C1 ZINC000377155422 534879708 /nfs/dbraw/zinc/87/97/08/534879708.db2.gz ZHXYPHRGGWAHEX-CQSZACIVSA-N 0 3 303.362 2.472 20 5 DEBDHN CCO[C@H]1C[C@@H](NCc2c([N+](=O)[O-])ncn2C)C1(CC)CC ZINC000429345804 528098383 /nfs/dbraw/zinc/09/83/83/528098383.db2.gz RBGWXZMAQNKNQY-OLZOCXBDSA-N 0 3 310.398 2.402 20 5 DEBDHN CC(C)Oc1cc(C(=O)NC[C@H](C)N(C)C)ccc1[N+](=O)[O-] ZINC000411377241 528101628 /nfs/dbraw/zinc/10/16/28/528101628.db2.gz WMOBXEMHKSGBOM-NSHDSACASA-N 0 3 309.366 2.062 20 5 DEBDHN CC(C)c1ccc([C@@H](N)CNC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1 ZINC000428893375 528133182 /nfs/dbraw/zinc/13/31/82/528133182.db2.gz DECMGEONRFLISE-AWEZNQCLSA-N 0 3 316.361 2.476 20 5 DEBDHN CC(C)(O)CN(CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000305804599 535299932 /nfs/dbraw/zinc/29/99/32/535299932.db2.gz YRRHIITXUQHPDO-UHFFFAOYSA-N 0 3 318.377 2.064 20 5 DEBDHN CN1CC[C@@H]2CCN(C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000492401294 536460167 /nfs/dbraw/zinc/46/01/67/536460167.db2.gz UNPPGAXCYAZMKP-TZPOZWHTSA-N 0 3 315.373 2.161 20 5 DEBDHN COCCn1cc(CN[C@H](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000449308802 536846484 /nfs/dbraw/zinc/84/64/84/536846484.db2.gz ZWKLNEIRKPRLPP-CYBMUJFWSA-N 0 3 318.377 2.159 20 5 DEBDHN COc1ccc(CNCCc2cnc(C)cn2)cc1[N+](=O)[O-] ZINC000453602527 536891883 /nfs/dbraw/zinc/89/18/83/536891883.db2.gz WLHKVASNYCPDTF-UHFFFAOYSA-N 0 3 302.334 2.034 20 5 DEBDHN O=C(CCc1cc(F)ccc1[N+](=O)[O-])NCCN1CCCCC1 ZINC001355206262 1151992109 /nfs/dbraw/zinc/99/21/09/1151992109.db2.gz GMTYIRXSEAFRAQ-UHFFFAOYSA-N 0 3 323.368 2.269 20 5 DEBDHN COc1c([O-])ccc(C[NH2+]C[C@@H]2CCC[C@@H]2OC)c1[N+](=O)[O-] ZINC000893287268 625391907 /nfs/dbraw/zinc/39/19/07/625391907.db2.gz YVNGMDAXSHCUTQ-GWCFXTLKSA-N 0 3 310.350 2.214 20 5 DEBDHN COc1cc([N+](=O)[O-])cnc1N1CC[C@H](N2CCCCC2)C1 ZINC000892409352 625483604 /nfs/dbraw/zinc/48/36/04/625483604.db2.gz CJSDKOLNIIWVDN-LBPRGKRZSA-N 0 3 306.366 2.063 20 5 DEBDHN O=C(N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1)C1CCC1 ZINC001021763625 624053071 /nfs/dbraw/zinc/05/30/71/624053071.db2.gz DMOQNTJKJNAXGR-OKILXGFUSA-N 0 3 303.362 2.132 20 5 DEBDHN Cn1ncc([N+](=O)[O-])c1N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000891506068 624462314 /nfs/dbraw/zinc/46/23/14/624462314.db2.gz VJVMSPIVDJMXCJ-CYBMUJFWSA-N 0 3 301.350 2.015 20 5 DEBDHN Cn1ncc([N+](=O)[O-])c1N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000891778747 624597434 /nfs/dbraw/zinc/59/74/34/624597434.db2.gz BEROGPUPZSEGFN-CQSZACIVSA-N 0 3 315.377 2.405 20 5 DEBDHN O=[N+]([O-])c1cc(Cl)c(NC[C@@H]2CNCCO2)c(Cl)c1 ZINC000236043501 625069582 /nfs/dbraw/zinc/06/95/82/625069582.db2.gz DZTWVSSFJFPRHN-QMMMGPOBSA-N 0 3 306.149 2.302 20 5 DEBDHN COc1ccc(CCCC(=O)OCC(C)[N+](=O)[O-])cc1OC ZINC000893046432 625075964 /nfs/dbraw/zinc/07/59/64/625075964.db2.gz BHGXFAQOPYOTCU-LLVKDONJSA-N 0 3 311.334 2.235 20 5 DEBDHN CC(C)(NC[C@H]1CCC2(COC2)O1)c1ccccc1[N+](=O)[O-] ZINC000930555415 625187211 /nfs/dbraw/zinc/18/72/11/625187211.db2.gz UNQFYBWWJZUZPT-GFCCVEGCSA-N 0 3 306.362 2.368 20 5 DEBDHN CN1C[C@@H](CCNCc2cc(Cl)ccc2[N+](=O)[O-])CC1=O ZINC000922487808 636198598 /nfs/dbraw/zinc/19/85/98/636198598.db2.gz DZSDFGVXEPVFSI-JTQLQIEISA-N 0 3 311.769 2.206 20 5 DEBDHN C[C@H](NC(=O)N[C@@H]1CCN(C)[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000922645427 636293255 /nfs/dbraw/zinc/29/32/55/636293255.db2.gz KKHQAZDFZMCDJL-MISXGVKJSA-N 0 3 306.366 2.048 20 5 DEBDHN C[C@H](NC(=O)N[C@H]1CCN(C)[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000922645431 636293878 /nfs/dbraw/zinc/29/38/78/636293878.db2.gz KKHQAZDFZMCDJL-WDMOLILDSA-N 0 3 306.366 2.048 20 5 DEBDHN CCC[C@]1(NCc2ccc(O)c(OC)c2[N+](=O)[O-])CCOC1 ZINC000894419901 637029998 /nfs/dbraw/zinc/02/99/98/637029998.db2.gz VVNODFMLDKSKQV-HNNXBMFYSA-N 0 3 310.350 2.358 20 5 DEBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(C)[C@H]2C)c1 ZINC000928451001 637261660 /nfs/dbraw/zinc/26/16/60/637261660.db2.gz JPHAIFLDUZUQRL-JOYOIKCWSA-N 0 3 309.391 2.139 20 5 DEBDHN Cn1nnc2c1CC[C@@H](NCc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000895210029 637798231 /nfs/dbraw/zinc/79/82/31/637798231.db2.gz GITYONOJBWTRSC-LLVKDONJSA-N 0 3 321.768 2.024 20 5 DEBDHN COc1c(O)ccc(CNC[C@@H]2CCC[C@@H](C)O2)c1[N+](=O)[O-] ZINC000895377033 637980180 /nfs/dbraw/zinc/98/01/80/637980180.db2.gz INASKMGWSGLBAT-PWSUYJOCSA-N 0 3 310.350 2.356 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N(C)CCN2CCCC2)c1C ZINC000896156953 638383915 /nfs/dbraw/zinc/38/39/15/638383915.db2.gz VWUHNPGJAMVIOO-UHFFFAOYSA-N 0 3 305.378 2.379 20 5 DEBDHN O=[N+]([O-])c1cc(F)ccc1NC[C@@H]1CCN1C1CCOCC1 ZINC000896515339 638560229 /nfs/dbraw/zinc/56/02/29/638560229.db2.gz ALCKVQJGRJHZCT-ZDUSSCGKSA-N 0 3 309.341 2.399 20 5 DEBDHN C[C@@H](NCc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CN(C)CCO1 ZINC000761528458 640321495 /nfs/dbraw/zinc/32/14/95/640321495.db2.gz VIJVHYHUMXLMHC-YGRLFVJLSA-N 0 3 313.785 2.057 20 5 DEBDHN CCN1C[C@H](C)N(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000766249968 640863032 /nfs/dbraw/zinc/86/30/32/640863032.db2.gz LFHHUXDTJCSOQN-XEZPLFJOSA-N 0 3 307.394 2.043 20 5 DEBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC(c3ncc[nH]3)CC2)cc1 ZINC000776593077 642190162 /nfs/dbraw/zinc/19/01/62/642190162.db2.gz VQWZOUJSLAEQAP-HNNXBMFYSA-N 0 3 316.361 2.231 20 5 DEBDHN O=[N+]([O-])c1ccc([C@@H](O)CN[C@@H](CO)c2ccc(F)cc2)cc1 ZINC000782063562 642820305 /nfs/dbraw/zinc/82/03/05/642820305.db2.gz NDHMARNJLOWGBM-HOTGVXAUSA-N 0 3 320.320 2.091 20 5 DEBDHN CN(Cc1ccc([N+](=O)[O-])c(Cl)c1)CC1(O)CCOCC1 ZINC000783715713 643041740 /nfs/dbraw/zinc/04/17/40/643041740.db2.gz SMMOBVYRMDZIDR-UHFFFAOYSA-N 0 3 314.769 2.222 20 5 DEBDHN COc1cc([C@H](C)NC[C@@H](OC)[C@H]2CCOC2)cc([N+](=O)[O-])c1 ZINC000903196495 643282333 /nfs/dbraw/zinc/28/23/33/643282333.db2.gz PJXHLDSOHRAMOH-MQIPJXDCSA-N 0 3 324.377 2.306 20 5 DEBDHN CCCN(C)CC(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913385103 646339301 /nfs/dbraw/zinc/33/93/01/646339301.db2.gz PJAMXPDCJUEXOP-UHFFFAOYSA-N 0 3 317.748 2.345 20 5 DEBDHN Cc1cc(C)n(-c2ccc(C(=O)OCC(C)[N+](=O)[O-])cc2)n1 ZINC000813101552 646728481 /nfs/dbraw/zinc/72/84/81/646728481.db2.gz DFCRWMXMDMUINV-LBPRGKRZSA-N 0 3 303.318 2.311 20 5 DEBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])c2c(n1)onc2C(C)C ZINC000813101797 646728628 /nfs/dbraw/zinc/72/86/28/646728628.db2.gz IVCWBIRSZMPQGF-VIFPVBQESA-N 0 3 307.306 2.477 20 5 DEBDHN CC(COC(=O)CCc1ccc(OC(F)F)cc1)[N+](=O)[O-] ZINC000813102927 646728682 /nfs/dbraw/zinc/72/86/82/646728682.db2.gz LSUGCYJQNHPJIO-SECBINFHSA-N 0 3 303.261 2.429 20 5 DEBDHN CC(=O)c1cccc(OCCCC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813107382 646730205 /nfs/dbraw/zinc/73/02/05/646730205.db2.gz PUSSWPJGUAXMPM-LLVKDONJSA-N 0 3 309.318 2.257 20 5 DEBDHN CC(COC(=O)Cc1ccccc1Br)[N+](=O)[O-] ZINC000813108148 646730464 /nfs/dbraw/zinc/73/04/64/646730464.db2.gz BETQSTKXXHFPHE-QMMMGPOBSA-N 0 3 302.124 2.200 20 5 DEBDHN CC(COC(=O)c1ccc(-c2nc(C3CC3)no2)cc1)[N+](=O)[O-] ZINC000813109627 646730630 /nfs/dbraw/zinc/73/06/30/646730630.db2.gz UVDQAGTXKLOHPZ-VIFPVBQESA-N 0 3 317.301 2.436 20 5 DEBDHN CC(COC(=O)c1cccc(OC[C@@H]2CCCO2)c1)[N+](=O)[O-] ZINC000813111541 646731535 /nfs/dbraw/zinc/73/15/35/646731535.db2.gz UMVIEKQLILAJHA-FZMZJTMJSA-N 0 3 309.318 2.066 20 5 DEBDHN COCCOc1ccc(Cl)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813114870 646732514 /nfs/dbraw/zinc/73/25/14/646732514.db2.gz IDHIGWCEBADFET-VIFPVBQESA-N 0 3 317.725 2.187 20 5 DEBDHN CN1C[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)[C@@H]2C1 ZINC000816952493 647204745 /nfs/dbraw/zinc/20/47/45/647204745.db2.gz MDUXIKBQHIPJQD-ZWNOBZJWSA-N 0 3 309.753 2.024 20 5 DEBDHN CCN1CCC[C@@H](NC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000914316052 647260265 /nfs/dbraw/zinc/26/02/65/647260265.db2.gz HORVHGNVJSIGQD-TZMCWYRMSA-N 0 3 320.393 2.439 20 5 DEBDHN CC(COC(=O)c1ccc(OCc2ccncc2)cc1)[N+](=O)[O-] ZINC000817739252 647352299 /nfs/dbraw/zinc/35/22/99/647352299.db2.gz JLKZBYRVCFQRFF-GFCCVEGCSA-N 0 3 316.313 2.483 20 5 DEBDHN O=C(CCOc1ccccc1[N+](=O)[O-])OCCN1CCCCC1 ZINC000917538621 648009125 /nfs/dbraw/zinc/00/91/25/648009125.db2.gz UVGIQNPPZOZZLN-UHFFFAOYSA-N 0 3 322.361 2.393 20 5 DEBDHN CN(C)[C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])Cc1ccccc1 ZINC000822238109 648171324 /nfs/dbraw/zinc/17/13/24/648171324.db2.gz SVZQEYUONUQANI-OAHLLOKOSA-N 0 3 321.421 2.111 20 5 DEBDHN CC(C)(C)N1CC[C@@H]1CNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823921384 648500588 /nfs/dbraw/zinc/50/05/88/648500588.db2.gz UWZGOBJUZIQBKA-LLVKDONJSA-N 0 3 321.381 2.171 20 5 DEBDHN CCN(C(=O)CCc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CCN(C)C1 ZINC000824835331 648659021 /nfs/dbraw/zinc/65/90/21/648659021.db2.gz QTTFUADLXLHZDT-CQSZACIVSA-N 0 3 323.368 2.219 20 5 DEBDHN CO[C@@H](CNCc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CCOC1 ZINC000826822189 648931691 /nfs/dbraw/zinc/93/16/91/648931691.db2.gz MQTQHLARABMPOJ-FZMZJTMJSA-N 0 3 314.769 2.389 20 5 DEBDHN CC(C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CCN1 ZINC000831594041 649614052 /nfs/dbraw/zinc/61/40/52/649614052.db2.gz ROEQAQITVBDKRV-GFCCVEGCSA-N 0 3 311.769 2.318 20 5 DEBDHN CNc1c(C(=O)O[C@@H](C)CN2CCCC2)cccc1[N+](=O)[O-] ZINC000845663801 651267718 /nfs/dbraw/zinc/26/77/18/651267718.db2.gz RLVWLVQLQVUFPU-NSHDSACASA-N 0 3 307.350 2.278 20 5 DEBDHN CCn1ncc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])n1 ZINC000845884320 651292170 /nfs/dbraw/zinc/29/21/70/651292170.db2.gz XPUYTRQBGDWYFA-RNCFNFMXSA-N 0 3 322.296 2.000 20 5 DEBDHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)c1cc(F)ccc1[N+](=O)[O-] ZINC000847257267 651384582 /nfs/dbraw/zinc/38/45/82/651384582.db2.gz VVUBAAQRRGIFBV-UKRRQHHQSA-N 0 3 321.352 2.481 20 5 DEBDHN CN(C[C@@H]1CCCOC1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000107670636 651467490 /nfs/dbraw/zinc/46/74/90/651467490.db2.gz JIZYFQCBHYLVSI-LBPRGKRZSA-N 0 3 304.350 2.260 20 5 DEBDHN CO[C@@H](CNCc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000850342456 651903614 /nfs/dbraw/zinc/90/36/14/651903614.db2.gz JTYIXKDJNXLEGJ-YGRLFVJLSA-N 0 3 314.769 2.389 20 5 DEBDHN CC(COC(=O)CCC(=O)c1c(F)cccc1F)[N+](=O)[O-] ZINC000851036346 652049979 /nfs/dbraw/zinc/04/99/79/652049979.db2.gz HQEJBFHYSWFCBA-QMMMGPOBSA-N 0 3 301.245 2.136 20 5 DEBDHN O=[N+]([O-])c1ccc(OCCN[C@H]2CCCc3c[nH]nc32)cc1 ZINC000857858530 652188520 /nfs/dbraw/zinc/18/85/20/652188520.db2.gz KZJKAFILDHCEHE-AWEZNQCLSA-N 0 3 302.334 2.364 20 5 DEBDHN COCCN1[C@H](C)CN(Cc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000093478877 684049357 /nfs/dbraw/zinc/04/93/57/684049357.db2.gz ICXXRFKXTBEOLU-GASCZTMLSA-N 0 3 321.421 2.444 20 5 DEBDHN COC(C)(C)CCNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000865756189 687323843 /nfs/dbraw/zinc/32/38/43/687323843.db2.gz ZOPLZTOURRENJR-UHFFFAOYSA-N 0 3 310.350 2.271 20 5 DEBDHN CCn1nncc1CN[C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866395060 687559423 /nfs/dbraw/zinc/55/94/23/687559423.db2.gz IQNMTGCUJNKHJL-SNVBAGLBSA-N 0 3 307.329 2.066 20 5 DEBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000871763441 688862675 /nfs/dbraw/zinc/86/26/75/688862675.db2.gz HJGVTXFCZJBMTH-ZIAGYGMSSA-N 0 3 304.350 2.295 20 5 DEBDHN COCC[C@H](CO)N[C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872070389 688921460 /nfs/dbraw/zinc/92/14/60/688921460.db2.gz ZHTABSBUNJXWBN-GHMZBOCLSA-N 0 3 314.407 2.365 20 5 DEBDHN CO[C@@H]1COCC[C@H]1CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872074748 688922270 /nfs/dbraw/zinc/92/22/70/688922270.db2.gz HDLKUIPPKVEKTM-COPLHBTASA-N 0 3 312.341 2.436 20 5 DEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000931058023 694306616 /nfs/dbraw/zinc/30/66/16/694306616.db2.gz WQVARUNYMXKMRH-NWDGAFQWSA-N 0 3 306.366 2.426 20 5 DEBDHN COc1ccc(F)cc1CNC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877426427 690109181 /nfs/dbraw/zinc/10/91/81/690109181.db2.gz MRNSJNNXFPUPKX-UHFFFAOYSA-N 0 3 320.324 2.432 20 5 DEBDHN CN(CCN1CC2(C1)CCOCC2)Cc1ccccc1[N+](=O)[O-] ZINC000877765828 690218845 /nfs/dbraw/zinc/21/88/45/690218845.db2.gz RCIUKMNFHQGHMR-UHFFFAOYSA-N 0 3 319.405 2.139 20 5 DEBDHN C[C@@H]1[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CCN1C ZINC000931297338 694359695 /nfs/dbraw/zinc/35/96/95/694359695.db2.gz IBBSRMWTPHGUML-RKDXNWHRSA-N 0 3 312.757 2.462 20 5 DEBDHN CC(C)[C@@H](NCc1cn(C)nc1[N+](=O)[O-])[C@H](O)c1ccccc1 ZINC000878596290 690450415 /nfs/dbraw/zinc/45/04/15/690450415.db2.gz BQVJHBVOFJFEIP-HUUCEWRRSA-N 0 3 318.377 2.176 20 5 DEBDHN Cc1c(CN(CC2CC2)[C@@H](C(N)=O)C2CC2)cccc1[N+](=O)[O-] ZINC000879492490 690653799 /nfs/dbraw/zinc/65/37/99/690653799.db2.gz QEZQCQKTNDAILL-MRXNPFEDSA-N 0 3 317.389 2.379 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCCN1CCC[C@@H]1C ZINC000879537311 690665163 /nfs/dbraw/zinc/66/51/63/690665163.db2.gz XQHILNMMRHEGOL-LBPRGKRZSA-N 0 3 305.378 2.426 20 5 DEBDHN CC(C)(O)C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000879626370 690692594 /nfs/dbraw/zinc/69/25/94/690692594.db2.gz VKAAYPQADJVXPA-UHFFFAOYSA-N 0 3 308.378 2.457 20 5 DEBDHN CC(C)(C)[C@@H](N)c1cn(Cc2cc(F)ccc2[N+](=O)[O-])nn1 ZINC000881226504 691052335 /nfs/dbraw/zinc/05/23/35/691052335.db2.gz PIYUYDACCQFVFU-ZDUSSCGKSA-N 0 3 307.329 2.420 20 5 DEBDHN COCCN(C)CCCNc1cccc([N+](=O)[O-])c1C(C)=O ZINC000881804492 691165000 /nfs/dbraw/zinc/16/50/00/691165000.db2.gz HVUIJHYXWWYPEG-UHFFFAOYSA-N 0 3 309.366 2.178 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(NC[C@@H]2CCN2C2CCOCC2)c1 ZINC000896519652 693003672 /nfs/dbraw/zinc/00/36/72/693003672.db2.gz WJLIIEQYBZCMJP-ZDUSSCGKSA-N 0 3 321.377 2.269 20 5 DEBDHN C[C@@H](NC[C@H](O)CC1(O)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000932176335 694567492 /nfs/dbraw/zinc/56/74/92/694567492.db2.gz BXBAFWLQCMUMFA-IUODEOHRSA-N 0 3 308.378 2.302 20 5 DEBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@@H](Cc3nccs3)C2)c1 ZINC000932201204 694572920 /nfs/dbraw/zinc/57/29/20/694572920.db2.gz SXNDUTAZMGXPLV-LBPRGKRZSA-N 0 3 321.406 2.203 20 5 DEBDHN CC([C@@H](OC(=O)[C@@]1(F)CCOC1)c1ccccc1F)[N+](=O)[O-] ZINC001343838830 1150777103 /nfs/dbraw/zinc/77/71/03/1150777103.db2.gz SZGUELQITDZMSH-GAJTVXKRSA-N 0 3 315.272 2.204 20 5 DEBDHN C[C@H](NC(=O)NC[C@H]1CCCCN1C)c1ccc([N+](=O)[O-])cc1 ZINC001357776918 1152337402 /nfs/dbraw/zinc/33/74/02/1152337402.db2.gz QAPWUGUNZOTGNG-SWLSCSKDSA-N 0 3 320.393 2.439 20 5 DEBDHN C[C@@H]1CN(c2cc(/C=C\N(C)C)c([N+](=O)[O-])cn2)[C@H](C)CN1C ZINC001164634079 719232164 /nfs/dbraw/zinc/23/21/64/719232164.db2.gz FNDVQKPHIAZHCB-ZSBJFDRYSA-N 0 3 319.409 2.051 20 5 DEBDHN COC(=O)c1cccc2c1CCN([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169048431 785021825 /nfs/dbraw/zinc/02/18/25/785021825.db2.gz UZJZQJJUVGCJEC-GXTWGEPZSA-N 0 3 318.373 2.277 20 5 DEBDHN CCN([C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C1CN(C)C1 ZINC001170351223 786932220 /nfs/dbraw/zinc/93/22/20/786932220.db2.gz BIYLYCPDDKGCJU-GFCCVEGCSA-N 0 3 307.394 2.170 20 5 DEBDHN CCc1ccoc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001133401926 788403454 /nfs/dbraw/zinc/40/34/54/788403454.db2.gz OQBSXDLJGRZYOJ-UHFFFAOYSA-N 0 3 317.345 2.270 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N(C)[C@H]2CCOC2)c1F ZINC001173189287 793623958 /nfs/dbraw/zinc/62/39/58/793623958.db2.gz KCSISJBPPHEWJF-MNOVXSKESA-N 0 3 312.341 2.394 20 5 DEBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC(F)(F)[C@@H](CO)C1 ZINC001173229865 793644595 /nfs/dbraw/zinc/64/45/95/793644595.db2.gz VWUINDUVCWHOCN-WCQYABFASA-N 0 3 314.332 2.475 20 5 DEBDHN CC(C)c1ccc(CNC[C@@H]2CN(C)CCN2C)cc1[N+](=O)[O-] ZINC001177833782 794761026 /nfs/dbraw/zinc/76/10/26/794761026.db2.gz CWGUXRUYPLSBOX-OAHLLOKOSA-N 0 3 320.437 2.054 20 5 DEBDHN NCc1cn(-c2ccc3c(ccc(Cl)c3[N+](=O)[O-])n2)cn1 ZINC001154910151 797638277 /nfs/dbraw/zinc/63/82/77/797638277.db2.gz WUMCTHKOFAHLDI-UHFFFAOYSA-N 0 3 303.709 2.441 20 5 DEBDHN Cc1cc(CN)nn1C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1 ZINC001156038472 797910110 /nfs/dbraw/zinc/91/01/10/797910110.db2.gz TUWFQDKYAICFDY-UHFFFAOYSA-N 0 3 317.683 2.204 20 5 DEBDHN COc1nc(N2CCN[C@H](c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001157759594 798272901 /nfs/dbraw/zinc/27/29/01/798272901.db2.gz QCPRYCDWEKWMJC-ZDUSSCGKSA-N 0 3 314.345 2.149 20 5 DEBDHN NCc1ccc2c(n1)N(c1ncc(F)cc1[N+](=O)[O-])CCC2 ZINC001158650157 798443745 /nfs/dbraw/zinc/44/37/45/798443745.db2.gz WQXNORLVBCPKHF-UHFFFAOYSA-N 0 3 303.297 2.067 20 5 DEBDHN NCc1ccnn1-c1ccc(OC(F)(F)F)c([N+](=O)[O-])c1 ZINC001162593338 799126093 /nfs/dbraw/zinc/12/60/93/799126093.db2.gz IELRTBIKJDWBAO-UHFFFAOYSA-N 0 3 302.212 2.138 20 5 DEBDHN C[C@@H](N)c1nc2ccccc2n1-c1ncnc2[nH]cc([N+](=O)[O-])c21 ZINC001162757506 799167323 /nfs/dbraw/zinc/16/73/23/799167323.db2.gz ADMQCKVQGOHMPB-MRVPVSSYSA-N 0 3 323.316 2.225 20 5 DEBDHN COc1ccc(N[C@@H]2CNCc3ccsc32)nc1[N+](=O)[O-] ZINC001163220069 799279776 /nfs/dbraw/zinc/27/97/76/799279776.db2.gz KXAIBLOATSEZBX-SECBINFHSA-N 0 3 306.347 2.316 20 5 DEBDHN CC(=O)Nc1ccc(N[C@H]2CN3CCC2CC3)cc1[N+](=O)[O-] ZINC001163394577 799330356 /nfs/dbraw/zinc/33/03/56/799330356.db2.gz HYRGGYLSROSNKS-AWEZNQCLSA-N 0 3 304.350 2.059 20 5 DEBDHN C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1cnn(CC2CCC2)c1 ZINC000934553395 800387757 /nfs/dbraw/zinc/38/77/57/800387757.db2.gz BKYIVRKWBITXRJ-LBPRGKRZSA-N 0 3 318.381 2.139 20 5 DEBDHN C[C@H](NCCn1ccc([N+](=O)[O-])n1)c1cnn(CC2CCC2)c1 ZINC000934555435 800388098 /nfs/dbraw/zinc/38/80/98/800388098.db2.gz HDGRGACSIDMZPF-LBPRGKRZSA-N 0 3 318.381 2.139 20 5 DEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1C[C@@H]2C(=O)OC[C@@H]2C1 ZINC001207026038 800661943 /nfs/dbraw/zinc/66/19/43/800661943.db2.gz MNMNAZGCLHZJLE-QPAPFBILSA-N 0 3 302.330 2.103 20 5 DEBDHN CCN1CCC[C@@H](Oc2ccc([N+](=O)[O-])cc2C(=O)OC)C1 ZINC001229059811 801216376 /nfs/dbraw/zinc/21/63/76/801216376.db2.gz VWNALAFJUGAEQP-GFCCVEGCSA-N 0 3 308.334 2.245 20 5 DEBDHN CO[C@@H]1CCN(CCOc2cc([N+](=O)[O-])cc3cccnc32)C1 ZINC001229346249 801261013 /nfs/dbraw/zinc/26/10/13/801261013.db2.gz LVBOJIKOHRBFKL-CQSZACIVSA-N 0 3 317.345 2.243 20 5 DEBDHN CN1CCC(Oc2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC001225897147 803027000 /nfs/dbraw/zinc/02/70/00/803027000.db2.gz JHTZQNMXCNHMLY-UHFFFAOYSA-N 0 3 305.256 2.482 20 5 DEBDHN O=[N+]([O-])c1cc2c(cc1F)ncnc2O[C@@H]1CN2CCC1CC2 ZINC001226804661 803162386 /nfs/dbraw/zinc/16/23/86/803162386.db2.gz QBOCVTYSKOZPTH-CQSZACIVSA-N 0 3 318.308 2.150 20 5 DEBDHN C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1nc3ccc([N+](=O)[O-])cc3[n-]1)C2 ZINC001227744701 803274348 /nfs/dbraw/zinc/27/43/48/803274348.db2.gz HXESMNGLCODIKU-PEGIJTEDSA-N 0 3 302.334 2.475 20 5 DEBDHN C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1nc3ccc([N+](=O)[O-])cc3[n-]1)C2 ZINC001227744701 803274352 /nfs/dbraw/zinc/27/43/52/803274352.db2.gz HXESMNGLCODIKU-PEGIJTEDSA-N 0 3 302.334 2.475 20 5 DEBDHN C[C@H]1C[N@@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC[C@@H]1C ZINC001603909872 1070145801 /nfs/dbraw/zinc/14/58/01/1070145801.db2.gz FJEUFWIINARWED-QWRGUYRKSA-N 0 3 316.365 2.253 20 5 DEBDHN C[C@H]1C[N@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC[C@@H]1C ZINC001603909872 1070145806 /nfs/dbraw/zinc/14/58/06/1070145806.db2.gz FJEUFWIINARWED-QWRGUYRKSA-N 0 3 316.365 2.253 20 5 DEBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001465899234 1059383338 /nfs/dbraw/zinc/38/33/38/1059383338.db2.gz ABWJEOPIEHOHDU-BXKDBHETSA-N 0 3 323.780 2.461 20 5 DEBDHN CC1=NO[C@H](CN[C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001474649013 1060909895 /nfs/dbraw/zinc/90/98/95/1060909895.db2.gz XDHLMHRETFDFHR-YGRLFVJLSA-N 0 3 320.349 2.066 20 5 DEBDHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1ccoc1 ZINC001497348038 1066040162 /nfs/dbraw/zinc/04/01/62/1066040162.db2.gz BERXSFDTTJWKOM-UHFFFAOYSA-N 0 3 317.345 2.440 20 5 DEBDHN CC(C)CC[C@H](N)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001575560916 1066352163 /nfs/dbraw/zinc/35/21/63/1066352163.db2.gz PDWMAYUMVCINJE-NSHDSACASA-N 0 3 305.338 2.173 20 5 DEBDHN CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2C)C[C@H](C)N1 ZINC001642252167 1078747771 /nfs/dbraw/zinc/74/77/71/1078747771.db2.gz VMEUKISQAVRVFZ-WDEREUQCSA-N 0 3 309.341 2.255 20 5 DEBDHN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC001643256780 1078792281 /nfs/dbraw/zinc/79/22/81/1078792281.db2.gz YHOJGGHBCIMINB-XHDPSFHLSA-N 0 3 321.352 2.209 20 5 DEBDHN C[C@@H]1CCC[N@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1 ZINC001590261576 1076603942 /nfs/dbraw/zinc/60/39/42/1076603942.db2.gz PDFGKEFDSREFBC-LLVKDONJSA-N 0 3 316.365 2.397 20 5 DEBDHN C[C@@H]1CCC[N@@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1 ZINC001590261576 1076603944 /nfs/dbraw/zinc/60/39/44/1076603944.db2.gz PDFGKEFDSREFBC-LLVKDONJSA-N 0 3 316.365 2.397 20 5 DEBDHN C[C@@H]1CCC[N@H+](Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC1 ZINC001590261576 1076603945 /nfs/dbraw/zinc/60/39/45/1076603945.db2.gz PDFGKEFDSREFBC-LLVKDONJSA-N 0 3 316.365 2.397 20 5 DEBDHN C[C@@H]1CCC[N@@H+](Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC1 ZINC001590261576 1076603947 /nfs/dbraw/zinc/60/39/47/1076603947.db2.gz PDFGKEFDSREFBC-LLVKDONJSA-N 0 3 316.365 2.397 20 5 DEBDHN CC[C@@H]1CCC[C@H]1[NH2+]Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590506383 1076643817 /nfs/dbraw/zinc/64/38/17/1076643817.db2.gz GALAVLNWBLQUIS-ZWNOBZJWSA-N 0 3 316.365 2.443 20 5 DEBDHN CC[C@@H]1CCC[C@H]1[NH2+]Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590506383 1076643819 /nfs/dbraw/zinc/64/38/19/1076643819.db2.gz GALAVLNWBLQUIS-ZWNOBZJWSA-N 0 3 316.365 2.443 20 5 DEBDHN O=[N+]([O-])c1c(N2CCN[C@H](c3ccccc3)C2)nc2ccccn21 ZINC001651438107 1079811398 /nfs/dbraw/zinc/81/13/98/1079811398.db2.gz CFLXDRXENPLMET-AWEZNQCLSA-N 0 3 323.356 2.393 20 5 DEBDHN Cc1noc(CN2CCN(C3CCCC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC001654795231 1079977533 /nfs/dbraw/zinc/97/75/33/1079977533.db2.gz WNRVGVDRYKUZEI-LLVKDONJSA-N 0 3 308.382 2.340 20 5 DEBDHN Nc1c(F)cccc1CNCCOc1ccc([N+](=O)[O-])cc1 ZINC001655529003 1080002704 /nfs/dbraw/zinc/00/27/04/1080002704.db2.gz NXRQGHNNPNSCPN-UHFFFAOYSA-N 0 3 305.309 2.485 20 5 DEBDHN O=[N+]([O-])c1cc2c(cc1NCCOc1cccnc1)CNC2 ZINC001168620368 1084236211 /nfs/dbraw/zinc/23/62/11/1084236211.db2.gz LZDVQWUQSBOPBK-UHFFFAOYSA-N 0 3 300.318 2.084 20 5 DEBDHN CN(CCCNCc1ccccc1[N+](=O)[O-])C(=O)c1cc[nH]c1 ZINC001276017194 1092518676 /nfs/dbraw/zinc/51/86/76/1092518676.db2.gz KXPRDZCCZINYLM-UHFFFAOYSA-N 0 3 316.361 2.175 20 5 DEBDHN N[C@H](Cc1nc(-c2cccnc2)no1)c1ccccc1[N+](=O)[O-] ZINC001249343083 1141876759 /nfs/dbraw/zinc/87/67/59/1141876759.db2.gz VZBNAKJINYGVDG-GFCCVEGCSA-N 0 3 311.301 2.282 20 5 DEBDHN CN1CCC(c2nnc(COc3ccccc3[N+](=O)[O-])o2)CC1 ZINC001323965017 1141929325 /nfs/dbraw/zinc/92/93/25/1141929325.db2.gz UBVZTFZQLODLFU-UHFFFAOYSA-N 0 3 318.333 2.366 20 5 DEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](CO)c1ccccn1 ZINC001254543435 1143242728 /nfs/dbraw/zinc/24/27/28/1143242728.db2.gz RNVCWOURQHLOOR-DOMZBBRYSA-N 0 3 301.346 2.244 20 5 DEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCc1cn(CCF)cn1 ZINC001254546410 1143244465 /nfs/dbraw/zinc/24/44/65/1143244465.db2.gz SMLFFQZWMLHWQX-LBPRGKRZSA-N 0 3 306.341 2.482 20 5 DEBDHN CCOc1ccc(C(=O)N2[C@H](C)CN[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC001341027886 1143526219 /nfs/dbraw/zinc/52/62/19/1143526219.db2.gz KUPKFFFDOYRAOT-UTUOFQBUSA-N 0 3 321.377 2.204 20 5 DEBDHN CC1(C(=O)NC[C@H]2C[C@@H](NCc3ccccc3[N+](=O)[O-])C2)CC1 ZINC001263833885 1144406066 /nfs/dbraw/zinc/40/60/66/1144406066.db2.gz PYYMHVLTHHDUPD-XBXGTLAGSA-N 0 3 317.389 2.379 20 5 DEBDHN CC[C@@H](N[C@H]1CC(=O)N(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000181222920 199267929 /nfs/dbraw/zinc/26/79/29/199267929.db2.gz KWBADTDQNBTNDM-SWLSCSKDSA-N 0 3 303.362 2.399 20 5 DEBDHN CC[C@H](N[C@@H]1CC(=O)N(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000181222869 199268304 /nfs/dbraw/zinc/26/83/04/199268304.db2.gz KWBADTDQNBTNDM-DOMZBBRYSA-N 0 3 303.362 2.399 20 5 DEBDHN COCCN1CC[C@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000278771182 214390185 /nfs/dbraw/zinc/39/01/85/214390185.db2.gz PFXUOXKSTKYDPI-YOEHRIQHSA-N 0 3 319.405 2.283 20 5 DEBDHN CC[C@H](NCCN1CCC(O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000295822725 529601770 /nfs/dbraw/zinc/60/17/70/529601770.db2.gz BYONJULSYMMIRJ-INIZCTEOSA-N 0 3 307.394 2.092 20 5 DEBDHN CCNC(=O)N1CC[C@H](N[C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000090410200 185294773 /nfs/dbraw/zinc/29/47/73/185294773.db2.gz MSLZUFFGLPNOCU-OLZOCXBDSA-N 0 3 320.393 2.358 20 5 DEBDHN CN(C[C@H]1CCCN1C)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000092627017 185329756 /nfs/dbraw/zinc/32/97/56/185329756.db2.gz VMIKMYUIRZAMGR-LLVKDONJSA-N 0 3 311.769 2.414 20 5 DEBDHN CN1CC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)C2)C1 ZINC000292343366 529801667 /nfs/dbraw/zinc/80/16/67/529801667.db2.gz UZDJXDAXOBENFB-OAHLLOKOSA-N 0 3 323.780 2.416 20 5 DEBDHN CN(CCN(C)C1CC1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000294893474 529902974 /nfs/dbraw/zinc/90/29/74/529902974.db2.gz DEXJANCKHZMFDW-UHFFFAOYSA-N 0 3 311.769 2.414 20 5 DEBDHN C[C@H]1C[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)CCN1C ZINC000331328140 233083701 /nfs/dbraw/zinc/08/37/01/233083701.db2.gz QNJUHYDQOZIAMK-GXTWGEPZSA-N 0 3 305.378 2.126 20 5 DEBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000287214718 219384671 /nfs/dbraw/zinc/38/46/71/219384671.db2.gz UZNIOBJQZIJMOW-VXGBXAGGSA-N 0 3 319.365 2.080 20 5 DEBDHN O=[N+]([O-])c1ccc(CN2CCN(CC3CCOCC3)CC2)cc1 ZINC000172425138 198095775 /nfs/dbraw/zinc/09/57/75/198095775.db2.gz SZWSKBVTJBHRPP-UHFFFAOYSA-N 0 3 319.405 2.139 20 5 DEBDHN CCN(CC)CCSc1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000172821173 198154213 /nfs/dbraw/zinc/15/42/13/198154213.db2.gz JNZJYSSJOZZQTR-UHFFFAOYSA-N 0 3 311.407 2.388 20 5 DEBDHN Cc1cccnc1[C@@H](NCCn1cc([N+](=O)[O-])cn1)C(C)C ZINC000174864888 198394076 /nfs/dbraw/zinc/39/40/76/198394076.db2.gz QZNIUTIVGWTCRA-AWEZNQCLSA-N 0 3 303.366 2.482 20 5 DEBDHN COc1ccc([C@@H](C)N(C)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000174815713 198389050 /nfs/dbraw/zinc/38/90/50/198389050.db2.gz HMTWKYHWBSGIBT-GFCCVEGCSA-N 0 3 304.350 2.493 20 5 DEBDHN C[C@@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)N1CCC[C@@H](C)C1 ZINC000068084502 354795537 /nfs/dbraw/zinc/79/55/37/354795537.db2.gz CLTLHPPFUPQXJZ-NEPJUHHUSA-N 0 3 320.393 2.027 20 5 DEBDHN CO[C@H]1CCCC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000276992601 213226168 /nfs/dbraw/zinc/22/61/68/213226168.db2.gz NGLOHGSOOXEXRI-CABCVRRESA-N 0 3 321.377 2.389 20 5 DEBDHN CN(c1ccccc1)c1ccc(CNCCO)cc1[N+](=O)[O-] ZINC000072712933 354915040 /nfs/dbraw/zinc/91/50/40/354915040.db2.gz HIXPDNCCFGEWMI-UHFFFAOYSA-N 0 3 301.346 2.445 20 5 DEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC2(CNC(=O)C2)CC1 ZINC000075013727 355063979 /nfs/dbraw/zinc/06/39/79/355063979.db2.gz WHRDYMVDADNFDP-GFCCVEGCSA-N 0 3 303.362 2.258 20 5 DEBDHN O=[N+]([O-])c1ccc2[nH]c(CNC3(CO)CCCCC3)nc2c1 ZINC000618287175 363449781 /nfs/dbraw/zinc/44/97/81/363449781.db2.gz NYXDHXORMPEFCF-UHFFFAOYSA-N 0 3 304.350 2.256 20 5 DEBDHN CN1CCN(CC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000114011086 355760771 /nfs/dbraw/zinc/76/07/71/355760771.db2.gz ZNLTWMCBUUIUAQ-UHFFFAOYSA-N 0 3 318.421 2.059 20 5 DEBDHN COCCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000164961280 355974936 /nfs/dbraw/zinc/97/49/36/355974936.db2.gz DLPKELSSKKGAKD-UHFFFAOYSA-N 0 3 321.377 2.343 20 5 DEBDHN CC(C)S(=O)(=O)CCCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180422909 356050478 /nfs/dbraw/zinc/05/04/78/356050478.db2.gz XFZXJGPWVDCAFC-LBPRGKRZSA-N 0 3 314.407 2.459 20 5 DEBDHN CC[C@@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000182384287 356124548 /nfs/dbraw/zinc/12/45/48/356124548.db2.gz FXACEIYCZRXPCF-HUUCEWRRSA-N 0 3 321.377 2.105 20 5 DEBDHN CCOC(=O)C[C@H](C)N(C)CCOc1ccccc1[N+](=O)[O-] ZINC000182656664 356137682 /nfs/dbraw/zinc/13/76/82/356137682.db2.gz HQRKCEDTEFJZMX-LBPRGKRZSA-N 0 3 310.350 2.247 20 5 DEBDHN Cn1cncc1CN[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000289848818 356377189 /nfs/dbraw/zinc/37/71/89/356377189.db2.gz QHFPOMGHGUOLSR-OAHLLOKOSA-N 0 3 300.362 2.439 20 5 DEBDHN CCCN1CCC[C@H]1CNC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000578683910 356855595 /nfs/dbraw/zinc/85/55/95/356855595.db2.gz GXUHVZZIPWEENO-ZDUSSCGKSA-N 0 3 320.393 2.241 20 5 DEBDHN CC1(C)CC[C@H]1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000581201712 357148599 /nfs/dbraw/zinc/14/85/99/357148599.db2.gz OKIHSQLZWMHTHY-CQSZACIVSA-N 0 3 303.362 2.262 20 5 DEBDHN C[C@H]1COCC[C@@H]1CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000586782445 357369289 /nfs/dbraw/zinc/36/92/89/357369289.db2.gz NYSRUJDHAZTEPJ-NWDGAFQWSA-N 0 3 322.361 2.128 20 5 DEBDHN CN1CCC(N2CC[C@@H](Nc3c(F)cccc3[N+](=O)[O-])C2)CC1 ZINC000587977434 357384223 /nfs/dbraw/zinc/38/42/23/357384223.db2.gz ZCDRCAOXGXQDTF-GFCCVEGCSA-N 0 3 322.384 2.314 20 5 DEBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CCN(C2CCC2)C[C@H](C)C1 ZINC000589877338 357503309 /nfs/dbraw/zinc/50/33/09/357503309.db2.gz XHFLEDZHPIIAKJ-LBPRGKRZSA-N 0 3 321.425 2.430 20 5 DEBDHN COC1(CCNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CCC1 ZINC000590193218 357525587 /nfs/dbraw/zinc/52/55/87/357525587.db2.gz PUVMROPOEYVDEM-UHFFFAOYSA-N 0 3 322.361 2.415 20 5 DEBDHN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NC[C@@H](C)N(C)C ZINC000443422437 283266953 /nfs/dbraw/zinc/26/69/53/283266953.db2.gz JRSGAPIKWASJRT-SECBINFHSA-N 0 3 313.329 2.273 20 5 DEBDHN CC[C@@H](NCc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@@H](O)C(C)C ZINC000591266021 357696562 /nfs/dbraw/zinc/69/65/62/357696562.db2.gz NBPFTRPZWMUYBV-WBMJQRKESA-N 0 3 324.377 2.251 20 5 DEBDHN CCc1ccc(C(=O)N2CCN[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000592242127 357856086 /nfs/dbraw/zinc/85/60/86/357856086.db2.gz OJWLOGBPSBZPAN-CQSZACIVSA-N 0 3 305.378 2.227 20 5 DEBDHN CN(CCN1CCCCC1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000593113287 358013121 /nfs/dbraw/zinc/01/31/21/358013121.db2.gz YBQVQXZFKORFMT-UHFFFAOYSA-N 0 3 317.393 2.389 20 5 DEBDHN C[C@H](CCO)N(C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000593694691 358125564 /nfs/dbraw/zinc/12/55/64/358125564.db2.gz PYBXHNWRSHMUML-GFCCVEGCSA-N 0 3 318.377 2.198 20 5 DEBDHN Cc1ccc([C@@H](C)NCC[C@]2(O)CCCOC2)cc1[N+](=O)[O-] ZINC000593722247 358130688 /nfs/dbraw/zinc/13/06/88/358130688.db2.gz VWJCNPAHNWDNIO-CZUORRHYSA-N 0 3 308.378 2.485 20 5 DEBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCC[C@@]1(O)CCCOC1 ZINC000594507413 358285960 /nfs/dbraw/zinc/28/59/60/358285960.db2.gz MDSGSHIQIJHDAJ-ZBFHGGJFSA-N 0 3 306.362 2.103 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H](CO)C1CCOCC1 ZINC000595032230 358381432 /nfs/dbraw/zinc/38/14/32/358381432.db2.gz IVABTHSNUOUBBN-ABAIWWIYSA-N 0 3 324.377 2.042 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1CCn2ccnc2C1 ZINC000595032691 358381515 /nfs/dbraw/zinc/38/15/15/358381515.db2.gz LBZVWKCWTZFITA-NWDGAFQWSA-N 0 3 316.361 2.466 20 5 DEBDHN COc1cc(NC[C@@H]2CCCN2CCCO)c([N+](=O)[O-])cc1C ZINC000596259759 358654324 /nfs/dbraw/zinc/65/43/24/358654324.db2.gz WHIXJVPYMJHVSD-ZDUSSCGKSA-N 0 3 323.393 2.171 20 5 DEBDHN O=[N+]([O-])c1ccccc1/C=C\CN(CCOCCO)C1CCC1 ZINC000597205498 358852836 /nfs/dbraw/zinc/85/28/36/358852836.db2.gz GCKALWNWVWIVNQ-XQRVVYSFSA-N 0 3 320.389 2.471 20 5 DEBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(N2CCOCC2)CC1 ZINC000599474119 359505413 /nfs/dbraw/zinc/50/54/13/359505413.db2.gz IHKKNJOGXGYALA-AWEZNQCLSA-N 0 3 319.405 2.452 20 5 DEBDHN CC[C@]1(CO)CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000187556206 200127680 /nfs/dbraw/zinc/12/76/80/200127680.db2.gz URPRYQTZDKVYAU-INIZCTEOSA-N 0 3 308.378 2.458 20 5 DEBDHN Cc1cc(C(=O)N(C)CC2(N(C)C)CCC2)cc([N+](=O)[O-])c1 ZINC000188075365 200189636 /nfs/dbraw/zinc/18/96/36/200189636.db2.gz MRSWZAKJOAPXOO-UHFFFAOYSA-N 0 3 305.378 2.460 20 5 DEBDHN Cn1cc(CN[C@@H]2CCCOC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237675649 202325514 /nfs/dbraw/zinc/32/55/14/202325514.db2.gz AEBOUDRKTZNJQI-CQSZACIVSA-N 0 3 316.361 2.264 20 5 DEBDHN COC(=O)c1ccc(-c2nc3c(s2)CNCC3)c([N+](=O)[O-])c1 ZINC000600787021 359828331 /nfs/dbraw/zinc/82/83/31/359828331.db2.gz WYZGNUNSALBHLW-UHFFFAOYSA-N 0 3 319.342 2.151 20 5 DEBDHN CN(C/C=C/c1ccccc1[N+](=O)[O-])CC1(O)CCOCC1 ZINC000188840892 200311101 /nfs/dbraw/zinc/31/11/01/200311101.db2.gz XQCAASRCYRPVMV-GQCTYLIASA-N 0 3 306.362 2.081 20 5 DEBDHN COCC(C)(C)N(C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000292409708 223059010 /nfs/dbraw/zinc/05/90/10/223059010.db2.gz UMYNOVIJLKYKTG-UHFFFAOYSA-N 0 3 312.366 2.339 20 5 DEBDHN O=[N+]([O-])c1cc2c(cc1CNCCc1ccco1)OCCO2 ZINC000604532174 360913921 /nfs/dbraw/zinc/91/39/21/360913921.db2.gz FEHBKFRLUUXPAP-UHFFFAOYSA-N 0 3 304.302 2.291 20 5 DEBDHN CC(C)NC(=O)CCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192650020 200918192 /nfs/dbraw/zinc/91/81/92/200918192.db2.gz MLCYSJFZWXTJMA-HNNXBMFYSA-N 0 3 305.378 2.477 20 5 DEBDHN Cc1cc(C(=O)N[C@H]2CCN(CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000609382808 361306894 /nfs/dbraw/zinc/30/68/94/361306894.db2.gz FCLCGPYSDSKXAQ-AWEZNQCLSA-N 0 3 303.362 2.117 20 5 DEBDHN C[C@@H](NC[C@@H]1CNc2ccnn2C1)c1cccc([N+](=O)[O-])c1 ZINC000609406077 361309368 /nfs/dbraw/zinc/30/93/68/361309368.db2.gz IQIPSAWLCINWLP-VXGBXAGGSA-N 0 3 301.350 2.184 20 5 DEBDHN C[C@@](CO)(NCCOc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000609483827 361313913 /nfs/dbraw/zinc/31/39/13/361313913.db2.gz JNENERLMVSFKSW-KRWDZBQOSA-N 0 3 316.357 2.471 20 5 DEBDHN C[C@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)N1CCCC1 ZINC000609875480 361345183 /nfs/dbraw/zinc/34/51/83/361345183.db2.gz SPZCOUKNYUCYKP-SNVBAGLBSA-N 0 3 311.769 2.462 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CNC1(CO)CCCCC1 ZINC000611462836 361603148 /nfs/dbraw/zinc/60/31/48/361603148.db2.gz CZMCXEFEQTUODV-UHFFFAOYSA-N 0 3 321.377 2.127 20 5 DEBDHN CCN1C[C@H](C)N(c2ncnc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000611712429 361664546 /nfs/dbraw/zinc/66/45/46/361664546.db2.gz LCPYMVCEGIMZOI-NEPJUHHUSA-N 0 3 315.377 2.457 20 5 DEBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)C1CCN(C2CC2)CC1 ZINC000195374785 201384929 /nfs/dbraw/zinc/38/49/29/201384929.db2.gz HCVHOCKRZGDSCT-UHFFFAOYSA-N 0 3 317.389 2.128 20 5 DEBDHN CN(C)[C@@H]1CCCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000091393414 193050182 /nfs/dbraw/zinc/05/01/82/193050182.db2.gz UGCPOZVUIWWGQZ-LLVKDONJSA-N 0 3 311.769 2.414 20 5 DEBDHN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CCN(C2CC2)C1 ZINC000452168504 244000845 /nfs/dbraw/zinc/00/08/45/244000845.db2.gz DLXVTCHXYXGUPK-GFCCVEGCSA-N 0 3 303.362 2.151 20 5 DEBDHN COC(=O)c1cc(NCCN2CCCC2)cc(C)c1[N+](=O)[O-] ZINC000271678473 209118708 /nfs/dbraw/zinc/11/87/08/209118708.db2.gz YNBGUWXTLTXSHG-UHFFFAOYSA-N 0 3 307.350 2.198 20 5 DEBDHN COc1cc(CN[C@H](CCO)C(C)C)c([N+](=O)[O-])cc1F ZINC000274604935 211753342 /nfs/dbraw/zinc/75/33/42/211753342.db2.gz MFJQSULHUZAMMO-GFCCVEGCSA-N 0 3 300.330 2.239 20 5 DEBDHN CCCN(CCN(C)C)C(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000154416524 291587949 /nfs/dbraw/zinc/58/79/49/291587949.db2.gz KFURTKSIRJAHLJ-UHFFFAOYSA-N 0 3 309.366 2.017 20 5 DEBDHN CN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000021509971 182276565 /nfs/dbraw/zinc/27/65/65/182276565.db2.gz LTVZEFIZUBEUSQ-UHFFFAOYSA-N 0 3 311.769 2.414 20 5 DEBDHN C[C@H](NC(=O)N1CCN2CCC1CC2)c1ccc([N+](=O)[O-])cc1 ZINC000455104530 246383446 /nfs/dbraw/zinc/38/34/46/246383446.db2.gz KPPDKFWWNDGMID-LBPRGKRZSA-N 0 3 318.377 2.145 20 5 DEBDHN C[C@H]1CCN(C)CCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000491829031 248966799 /nfs/dbraw/zinc/96/67/99/248966799.db2.gz WRNAYQCGRZWARK-LJLILKBBSA-N 0 3 303.362 2.161 20 5 DEBDHN CN(C)C/C=C\C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000492274644 249029521 /nfs/dbraw/zinc/02/95/21/249029521.db2.gz KBPWKLJHQZADRP-ABCZVMIZSA-N 0 3 321.402 2.287 20 5 DEBDHN C[C@H](CN(C)Cc1ccccc1)Nc1ncc([N+](=O)[O-])cn1 ZINC000274050463 211309295 /nfs/dbraw/zinc/30/92/95/211309295.db2.gz YUCDNEQNUNBMHU-GFCCVEGCSA-N 0 3 301.350 2.317 20 5 DEBDHN C[C@@H](NC(=O)NC[C@H](C)N(C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000105159740 194080286 /nfs/dbraw/zinc/08/02/86/194080286.db2.gz FLBYMIYQGXEJHA-NWDGAFQWSA-N 0 3 320.393 2.438 20 5 DEBDHN CCN1CCCC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000110998372 194380305 /nfs/dbraw/zinc/38/03/05/194380305.db2.gz XLMOTRFFONKWTM-OAHLLOKOSA-N 0 3 305.378 2.128 20 5 DEBDHN COc1cc(CNCCC[C@H](C)CO)c([N+](=O)[O-])cc1OC ZINC000270293062 208369492 /nfs/dbraw/zinc/36/94/92/208369492.db2.gz PNLGVCWQAOYSDY-NSHDSACASA-N 0 3 312.366 2.110 20 5 DEBDHN C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000272986635 210367002 /nfs/dbraw/zinc/36/70/02/210367002.db2.gz PIXLUSOMBGHSAJ-LLVKDONJSA-N 0 3 304.350 2.367 20 5 DEBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@H](c3ccncc3)C2)n1 ZINC000296025713 285167787 /nfs/dbraw/zinc/16/77/87/285167787.db2.gz ROUSQBDLIDXGQL-AWEZNQCLSA-N 0 3 301.350 2.066 20 5 DEBDHN O=[N+]([O-])c1cnn(CCN2CCC(c3ccc(O)cc3)CC2)c1 ZINC000266938479 285189270 /nfs/dbraw/zinc/18/92/70/285189270.db2.gz VSWQHMXYHJMCAK-UHFFFAOYSA-N 0 3 316.361 2.377 20 5 DEBDHN C[C@@H](O)CN(C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000156269178 197100178 /nfs/dbraw/zinc/10/01/78/197100178.db2.gz ZIDABSPVSQADPU-LLVKDONJSA-N 0 3 305.334 2.105 20 5 DEBDHN Cc1cnn([C@@H]2CCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000290008577 221376446 /nfs/dbraw/zinc/37/64/46/221376446.db2.gz UIWXTRKLAGUVEN-CVEARBPZSA-N 0 3 316.361 2.080 20 5 DEBDHN CCCN(CCN(C)C)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000355332033 133018176 /nfs/dbraw/zinc/01/81/76/133018176.db2.gz HEIURGGYMHBWKH-UHFFFAOYSA-N 0 3 323.393 2.164 20 5 DEBDHN C[C@@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCCOC1 ZINC000355781369 133047717 /nfs/dbraw/zinc/04/77/17/133047717.db2.gz WUTAUGZBMBDARE-VXGBXAGGSA-N 0 3 322.361 2.366 20 5 DEBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000246234739 145095975 /nfs/dbraw/zinc/09/59/75/145095975.db2.gz GUYDVYDIUMPLCE-CJNGLKHVSA-N 0 3 316.361 2.231 20 5 DEBDHN O=[N+]([O-])c1ccccc1OCCN1CC[C@@H]2OCCC[C@H]2C1 ZINC000246608138 145108238 /nfs/dbraw/zinc/10/82/38/145108238.db2.gz JHZAMGVWTCFFLU-ZFWWWQNUSA-N 0 3 306.362 2.475 20 5 DEBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000247384485 145135401 /nfs/dbraw/zinc/13/54/01/145135401.db2.gz UVLFMLJJYJIBRS-RYUDHWBXSA-N 0 3 320.393 2.027 20 5 DEBDHN O=C(NC[C@H]1NCCc2ccccc21)c1ccc([N+](=O)[O-])s1 ZINC000262556688 145292839 /nfs/dbraw/zinc/29/28/39/145292839.db2.gz UHNMWNHYYFDPKO-GFCCVEGCSA-N 0 3 317.370 2.273 20 5 DEBDHN C[C@@H](N[C@H]1CCN(c2cnn(C)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000360888861 147405206 /nfs/dbraw/zinc/40/52/06/147405206.db2.gz JUDNIOLMVYSGTI-OCCSQVGLSA-N 0 3 315.377 2.258 20 5 DEBDHN C[C@@H](C(=O)N[C@@H](CO)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000565636188 292174136 /nfs/dbraw/zinc/17/41/36/292174136.db2.gz OZSPJEPNVOHFOI-PSASIEDQSA-N 0 3 320.267 2.128 20 5 DEBDHN Cc1ccc(CN[C@H]2CC(=O)N3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000370288311 148003675 /nfs/dbraw/zinc/00/36/75/148003675.db2.gz MOROBPDUKKQUPF-KBPBESRZSA-N 0 3 303.362 2.146 20 5 DEBDHN O=C(N[C@@H]1CCN(C2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000371596305 148121831 /nfs/dbraw/zinc/12/18/31/148121831.db2.gz GNHJDQWJQATCAS-CYBMUJFWSA-N 0 3 303.362 2.342 20 5 DEBDHN O=C(CCCNCc1cc([N+](=O)[O-])ccc1Cl)NC1CC1 ZINC000111158457 401699141 /nfs/dbraw/zinc/69/91/41/401699141.db2.gz PQOKVUYRNBGNBQ-UHFFFAOYSA-N 0 3 311.769 2.397 20 5 DEBDHN C[C@@H](CCS(C)(=O)=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000127096273 401719887 /nfs/dbraw/zinc/71/98/87/401719887.db2.gz GBIQWVKSVFQFRE-QWRGUYRKSA-N 0 3 300.380 2.069 20 5 DEBDHN Cc1c(CN2CCC[C@H]2CN2CCOCC2)cccc1[N+](=O)[O-] ZINC000075890259 401773134 /nfs/dbraw/zinc/77/31/34/401773134.db2.gz ILHXCMKSNWUYJL-INIZCTEOSA-N 0 3 319.405 2.200 20 5 DEBDHN CS(=O)(=O)[C@@H]1CCC[C@@H](NCc2cccc([N+](=O)[O-])c2)C1 ZINC000077458226 401816727 /nfs/dbraw/zinc/81/67/27/401816727.db2.gz OHRUUEZAUNXDRN-TZMCWYRMSA-N 0 3 312.391 2.040 20 5 DEBDHN O=C(NC1CCN(C2CC2)CC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000077510250 401818189 /nfs/dbraw/zinc/81/81/89/401818189.db2.gz IEJMTDHTBRAPLC-UHFFFAOYSA-N 0 3 307.325 2.091 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@H]2CCCN(C)C2)c1 ZINC000115441200 401828526 /nfs/dbraw/zinc/82/85/26/401828526.db2.gz AFLCOKADZBBREV-LBPRGKRZSA-N 0 3 321.377 2.017 20 5 DEBDHN Cc1cccc(C(=O)NC2CCN(C3CC3)CC2)c1[N+](=O)[O-] ZINC000029089952 401854602 /nfs/dbraw/zinc/85/46/02/401854602.db2.gz SLYIBEPBBTVFEL-UHFFFAOYSA-N 0 3 303.362 2.260 20 5 DEBDHN CN(C)[C@@H]1CCCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000087271884 401929958 /nfs/dbraw/zinc/92/99/58/401929958.db2.gz ZQEOTJGFWSNMFZ-OAHLLOKOSA-N 0 3 305.378 2.080 20 5 DEBDHN O=C(NC[C@@H]1CCN(C2CC2)C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000136565228 401969550 /nfs/dbraw/zinc/96/95/50/401969550.db2.gz RFAJHZYQHGKFSM-JTQLQIEISA-N 0 3 323.780 2.462 20 5 DEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC3(CCC3)C2)c1 ZINC000123412225 402126485 /nfs/dbraw/zinc/12/64/85/402126485.db2.gz QLOYLRVGNRROLU-AWEZNQCLSA-N 0 3 306.362 2.211 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(C2CC2)CC1 ZINC000067142141 402152933 /nfs/dbraw/zinc/15/29/33/402152933.db2.gz PAKFVQOJIAPPOL-UHFFFAOYSA-N 0 3 303.362 2.260 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC1CCN(C)CC1 ZINC000103451102 402189566 /nfs/dbraw/zinc/18/95/66/402189566.db2.gz CMQKZQKJNSYAOE-UHFFFAOYSA-N 0 3 305.378 2.317 20 5 DEBDHN CN1CCC[C@@H](CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000108338944 402250681 /nfs/dbraw/zinc/25/06/81/402250681.db2.gz AHJZKSVQCJMLMW-NPQIQWPPSA-N 0 3 303.362 2.066 20 5 DEBDHN CN1CCC[C@H](CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000108351491 402251451 /nfs/dbraw/zinc/25/14/51/402251451.db2.gz GTWWZJCQIICXRX-LLVKDONJSA-N 0 3 318.377 2.233 20 5 DEBDHN C[C@@H](C(=O)NC1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000184766703 402298292 /nfs/dbraw/zinc/29/82/92/402298292.db2.gz GFFSNHSAISCUDI-SNVBAGLBSA-N 0 3 309.341 2.048 20 5 DEBDHN C[C@H]1C[C@@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000177038309 402362138 /nfs/dbraw/zinc/36/21/38/402362138.db2.gz USOMGHUSIPPUFM-NTEMODNESA-N 0 3 315.373 2.349 20 5 DEBDHN C[C@@H](CNc1c(Br)cncc1[N+](=O)[O-])N(C)C ZINC000227537225 402332172 /nfs/dbraw/zinc/33/21/72/402332172.db2.gz TUZSKNPKMBIQDG-ZETCQYMHSA-N 0 3 303.160 2.114 20 5 DEBDHN C[C@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000227886811 402334774 /nfs/dbraw/zinc/33/47/74/402334774.db2.gz WDQQSUWUAIXBOJ-VXGBXAGGSA-N 0 3 320.393 2.226 20 5 DEBDHN CC(C)[C@H](CO)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000162200227 402412446 /nfs/dbraw/zinc/41/24/46/402412446.db2.gz XPYFSCGYEMHRHB-NSHDSACASA-N 0 3 317.183 2.464 20 5 DEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc([N+](=O)[O-])c1 ZINC000177791068 402436442 /nfs/dbraw/zinc/43/64/42/402436442.db2.gz LPANJGBOYGCPJL-HIFRSBDPSA-N 0 3 303.362 2.294 20 5 DEBDHN Cc1c(NC(=O)[C@@H](C)N(C)C[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000178769509 402537070 /nfs/dbraw/zinc/53/70/70/402537070.db2.gz RMVAAKGLWJYSFO-OLZOCXBDSA-N 0 3 321.377 2.199 20 5 DEBDHN CCN1CCC[C@H]1CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000248567091 402596411 /nfs/dbraw/zinc/59/64/11/402596411.db2.gz LBZUSQUINKYLAY-YPMHNXCESA-N 0 3 323.368 2.438 20 5 DEBDHN CN(C(=O)/C=C\c1cccc([N+](=O)[O-])c1)[C@H]1CCCN(C)C1 ZINC000255227692 402682005 /nfs/dbraw/zinc/68/20/05/402682005.db2.gz FDTOSXIFXDAYCC-CDNLZTBQSA-N 0 3 303.362 2.161 20 5 DEBDHN CN(C(=O)/C=C\c1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(C)C1 ZINC000255227693 402682111 /nfs/dbraw/zinc/68/21/11/402682111.db2.gz FDTOSXIFXDAYCC-WHLNPGIBSA-N 0 3 303.362 2.161 20 5 DEBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000255491953 402688787 /nfs/dbraw/zinc/68/87/87/402688787.db2.gz FIRCXFYAKXPAML-CFYYFVFUSA-N 0 3 317.389 2.408 20 5 DEBDHN CC(=O)Nc1cccc([C@@H](C)NCCn2ccc([N+](=O)[O-])n2)c1 ZINC000182524155 402696711 /nfs/dbraw/zinc/69/67/11/402696711.db2.gz GMQGVOFWIGGMSH-LLVKDONJSA-N 0 3 317.349 2.101 20 5 DEBDHN C[C@H](C(=O)N1CCNC(C)(C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000183019000 402732749 /nfs/dbraw/zinc/73/27/49/402732749.db2.gz HAWJZVIQPAMKSL-JTQLQIEISA-N 0 3 309.341 2.048 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@]2(N(C)C)CCSC2)c1 ZINC000267062153 403012382 /nfs/dbraw/zinc/01/23/82/403012382.db2.gz BWJWBHVSWJJJBT-OAHLLOKOSA-N 0 3 323.418 2.070 20 5 DEBDHN O=[N+]([O-])c1ccn(CCN2CC[C@H](c3ccccc3F)C2)n1 ZINC000267077789 403013717 /nfs/dbraw/zinc/01/37/17/403013717.db2.gz MIYFREFJUPMLFV-LBPRGKRZSA-N 0 3 304.325 2.420 20 5 DEBDHN CC[C@@H]1CN([C@H](C)c2ccccc2[N+](=O)[O-])CCN1C[C@@H](C)O ZINC000266544503 402972683 /nfs/dbraw/zinc/97/26/83/402972683.db2.gz RMIIGALDHHYYEV-RBSFLKMASA-N 0 3 321.421 2.433 20 5 DEBDHN COc1ccc(OCCN2CCC(OC)CC2)c([N+](=O)[O-])c1 ZINC000266552508 402973398 /nfs/dbraw/zinc/97/33/98/402973398.db2.gz UYACKGILEFKKNB-UHFFFAOYSA-N 0 3 310.350 2.093 20 5 DEBDHN COc1cccc([C@H](CNc2ncc([N+](=O)[O-])cn2)N(C)C)c1 ZINC000273161350 402978445 /nfs/dbraw/zinc/97/84/45/402978445.db2.gz KLJHDGMZRVMLPK-AWEZNQCLSA-N 0 3 317.349 2.108 20 5 DEBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000268152076 403054957 /nfs/dbraw/zinc/05/49/57/403054957.db2.gz XAFIYPJLCMZACD-QMTHXVAHSA-N 0 3 304.350 2.199 20 5 DEBDHN CN(C)C[C@H]1CCCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000268185219 403059449 /nfs/dbraw/zinc/05/94/49/403059449.db2.gz RKUKPMSUGVWMOJ-GFCCVEGCSA-N 0 3 316.361 2.242 20 5 DEBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000268260312 403067809 /nfs/dbraw/zinc/06/78/09/403067809.db2.gz ZARRTAKWXMPOPM-NOZJJQNGSA-N 0 3 323.780 2.461 20 5 DEBDHN Cc1cc(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000268265010 403068339 /nfs/dbraw/zinc/06/83/39/403068339.db2.gz TYYVEOZPGJAINY-NHYWBVRUSA-N 0 3 303.362 2.116 20 5 DEBDHN CN(C)CCN(Cc1ccccc1F)c1c([N+](=O)[O-])ncn1C ZINC000268294456 403071414 /nfs/dbraw/zinc/07/14/14/403071414.db2.gz FLBFJUZZGOMZME-UHFFFAOYSA-N 0 3 321.356 2.036 20 5 DEBDHN CC1(C)[C@@H](C(F)(F)F)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000276124094 403147467 /nfs/dbraw/zinc/14/74/67/403147467.db2.gz CBTRJZKZJAGXEP-VIFPVBQESA-N 0 3 306.288 2.454 20 5 DEBDHN CCC(CC)(CCO)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000282422092 403152147 /nfs/dbraw/zinc/15/21/47/403152147.db2.gz JLOIMTWAUSJBBR-UHFFFAOYSA-N 0 3 309.366 2.064 20 5 DEBDHN Cc1cc([N+](=O)[O-])cnc1NCCCN1CCCO[C@H](C)C1 ZINC000277301586 403202750 /nfs/dbraw/zinc/20/27/50/403202750.db2.gz AVTIZIIAIKODCS-CYBMUJFWSA-N 0 3 308.382 2.211 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N(C)CC1(N(C)C)CCC1 ZINC000277335937 403206493 /nfs/dbraw/zinc/20/64/93/403206493.db2.gz YADXRZKHCBNGTJ-UHFFFAOYSA-N 0 3 321.377 2.160 20 5 DEBDHN COC(=O)c1cnc(NC2CCN(C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000276523498 403183255 /nfs/dbraw/zinc/18/32/55/403183255.db2.gz GMZZZLKGQSNYES-UHFFFAOYSA-N 0 3 322.365 2.061 20 5 DEBDHN CC(C)(C)[C@@H](CCO)NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284179203 403252018 /nfs/dbraw/zinc/25/20/18/403252018.db2.gz REDZNLPKUIXXKW-CYBMUJFWSA-N 0 3 311.338 2.390 20 5 DEBDHN CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@]2(CCN(C)C2)C1 ZINC000292222391 403325999 /nfs/dbraw/zinc/32/59/99/403325999.db2.gz IGDHHZWHHAMHKV-INIZCTEOSA-N 0 3 303.362 2.329 20 5 DEBDHN CN1CC=C(CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000345444320 403336852 /nfs/dbraw/zinc/33/68/52/403336852.db2.gz UDURTTAXRABDFV-UHFFFAOYSA-N 0 3 317.389 2.251 20 5 DEBDHN C[C@H]1C[C@H](N2CCCC2)CN1c1nc2sccn2c1[N+](=O)[O-] ZINC000286463242 403531446 /nfs/dbraw/zinc/53/14/46/403531446.db2.gz VDOGLFVOBHESNF-QWRGUYRKSA-N 0 3 321.406 2.367 20 5 DEBDHN CCN1CCCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000332262757 403533873 /nfs/dbraw/zinc/53/38/73/403533873.db2.gz FDNFEAXRMCRQQO-UHFFFAOYSA-N 0 3 310.329 2.293 20 5 DEBDHN CCN1CCC[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000332300350 403544436 /nfs/dbraw/zinc/54/44/36/403544436.db2.gz VGBLGGCCICKLOB-NSHDSACASA-N 0 3 316.361 2.290 20 5 DEBDHN CCN1CCC[C@@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000332166273 403503293 /nfs/dbraw/zinc/50/32/93/403503293.db2.gz LQQMXFHNUHGRCK-GFCCVEGCSA-N 0 3 316.361 2.290 20 5 DEBDHN C[C@@H]1C[C@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CCN1C ZINC000332225105 403521345 /nfs/dbraw/zinc/52/13/45/403521345.db2.gz BOSKUBGNNKNMOR-GHMZBOCLSA-N 0 3 316.361 2.289 20 5 DEBDHN Cc1nn(C)c(NC[C@H](Cc2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000301092260 403588385 /nfs/dbraw/zinc/58/83/85/403588385.db2.gz MJUWZLNAOKBXSJ-AWEZNQCLSA-N 0 3 317.393 2.222 20 5 DEBDHN C[C@H]1[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CCCN1C ZINC000343455840 403597794 /nfs/dbraw/zinc/59/77/94/403597794.db2.gz JVQIASYHOJZFLC-JQWIXIFHSA-N 0 3 318.377 2.374 20 5 DEBDHN CN1CCC[C@@]2(CCN(C(=O)Cc3ccccc3[N+](=O)[O-])C2)C1 ZINC000294169071 403664035 /nfs/dbraw/zinc/66/40/35/403664035.db2.gz OIOYQISSTBEGTJ-QGZVFWFLSA-N 0 3 317.389 2.082 20 5 DEBDHN Cc1cc(N2CC(N(C)C)C2)c(Br)cc1[N+](=O)[O-] ZINC000302715576 403715380 /nfs/dbraw/zinc/71/53/80/403715380.db2.gz YCYJLFYTIZYREG-UHFFFAOYSA-N 0 3 314.183 2.416 20 5 DEBDHN CCN1CCCC[C@@H]1CNc1ncc(C(=O)OC)cc1[N+](=O)[O-] ZINC000302788617 403726635 /nfs/dbraw/zinc/72/66/35/403726635.db2.gz XMAPTAFJPOYADE-GFCCVEGCSA-N 0 3 322.365 2.063 20 5 DEBDHN CC[C@@H](C)N1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000295182177 403787496 /nfs/dbraw/zinc/78/74/96/403787496.db2.gz HQEVWPOMXJVHBO-GFCCVEGCSA-N 0 3 322.365 2.419 20 5 DEBDHN C[C@H](NC(=O)N[C@H]1CCCN(C)[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000343937801 403799340 /nfs/dbraw/zinc/79/93/40/403799340.db2.gz QFJKVCRRYILHOX-OBJOEFQTSA-N 0 3 320.393 2.438 20 5 DEBDHN CCCN1CCC[C@@H]1CNc1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000343945827 403802880 /nfs/dbraw/zinc/80/28/80/403802880.db2.gz GRDABJTWDVPIMS-CYBMUJFWSA-N 0 3 320.393 2.241 20 5 DEBDHN CO[C@@H]1CCCC[C@@H]1NCC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000361762854 403849783 /nfs/dbraw/zinc/84/97/83/403849783.db2.gz CPMCMFQYMXOKIH-GXTWGEPZSA-N 0 3 321.377 2.389 20 5 DEBDHN O=C(NCCN1CCCCCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344188610 403966836 /nfs/dbraw/zinc/96/68/36/403966836.db2.gz KFIFRQDRVBMTBY-UHFFFAOYSA-N 0 3 309.341 2.340 20 5 DEBDHN COCCN(CCOc1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC000352021558 404085989 /nfs/dbraw/zinc/08/59/89/404085989.db2.gz LZEYIMXPNDSPMV-UHFFFAOYSA-N 0 3 310.350 2.093 20 5 DEBDHN O=[N+]([O-])c1cc(Cl)ccc1CN[C@@H](CO)[C@H]1CCCOC1 ZINC000411985451 404045060 /nfs/dbraw/zinc/04/50/60/404045060.db2.gz DNFPSEOWYYCMIZ-AAEUAGOBSA-N 0 3 314.769 2.125 20 5 DEBDHN CCC(=O)c1ccc(N2C[C@H]3CN(C)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000369545103 404137090 /nfs/dbraw/zinc/13/70/90/404137090.db2.gz CSZGFIHHRMJYPC-BETUJISGSA-N 0 3 303.362 2.185 20 5 DEBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@@H]1CCCN(C)C1=O ZINC000344742836 404343416 /nfs/dbraw/zinc/34/34/16/404343416.db2.gz UXLAFEKQXNDINV-GXTWGEPZSA-N 0 3 305.378 2.126 20 5 DEBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@H]1CCCN(C)C1=O ZINC000344742838 404343844 /nfs/dbraw/zinc/34/38/44/404343844.db2.gz UXLAFEKQXNDINV-OCCSQVGLSA-N 0 3 305.378 2.126 20 5 DEBDHN CN(C[C@H](O)COc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000290871095 404344980 /nfs/dbraw/zinc/34/49/80/404344980.db2.gz ZPPKUGPWBPSWOA-NSHDSACASA-N 0 3 300.742 2.082 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](C)C1CCOCC1 ZINC000341991889 404300967 /nfs/dbraw/zinc/30/09/67/404300967.db2.gz HJAICJJGUVNFMS-GFCCVEGCSA-N 0 3 321.377 2.246 20 5 DEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@@H]1CCS(=O)(=O)C1 ZINC000344841888 404399866 /nfs/dbraw/zinc/39/98/66/404399866.db2.gz DVPSGKQPMLOABL-VDBIKXPHSA-N 0 3 324.402 2.022 20 5 DEBDHN CC1CCN(C[C@@H](O)CNc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000342199477 404438216 /nfs/dbraw/zinc/43/82/16/404438216.db2.gz HYFKUGSHHDMMLS-LBPRGKRZSA-N 0 3 311.357 2.239 20 5 DEBDHN CN1CCC[C@@H]1CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000291853157 404550870 /nfs/dbraw/zinc/55/08/70/404550870.db2.gz HMAKMJHKVLODLQ-GFCCVEGCSA-N 0 3 320.393 2.223 20 5 DEBDHN C[C@@H]1CSC[C@@H]1NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000352816569 404643600 /nfs/dbraw/zinc/64/36/00/404643600.db2.gz OUJQOCAWECOQEC-RNCFNFMXSA-N 0 3 310.375 2.302 20 5 DEBDHN O=C1C[C@@H](CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CN1 ZINC000414485934 404650536 /nfs/dbraw/zinc/65/05/36/404650536.db2.gz QBBJDKTUKGCVHG-NSHDSACASA-N 0 3 315.329 2.081 20 5 DEBDHN CCN1CCC(N(C)C(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000330502186 404673814 /nfs/dbraw/zinc/67/38/14/404673814.db2.gz WHYFADINZUHKFR-UHFFFAOYSA-N 0 3 321.377 2.160 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000414666925 404704256 /nfs/dbraw/zinc/70/42/56/404704256.db2.gz XBZDWUCRVDGYQH-GXFFZTMASA-N 0 3 322.365 2.138 20 5 DEBDHN O=[N+]([O-])c1ccn(C2CCN(C[C@H](O)c3ccccc3)CC2)n1 ZINC000365874699 404736647 /nfs/dbraw/zinc/73/66/47/404736647.db2.gz NBYBRTWAOFAZPF-HNNXBMFYSA-N 0 3 316.361 2.162 20 5 DEBDHN C[C@@H]1CCN[C@@H](C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000423833867 404879874 /nfs/dbraw/zinc/87/98/74/404879874.db2.gz BXIQDDCKRZYQGM-NOZJJQNGSA-N 0 3 311.769 2.253 20 5 DEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000415572895 404887404 /nfs/dbraw/zinc/88/74/04/404887404.db2.gz BOXGDXXYZDRIAF-VXGBXAGGSA-N 0 3 306.366 2.426 20 5 DEBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(N(C)C)CC1 ZINC000416286909 405086170 /nfs/dbraw/zinc/08/61/70/405086170.db2.gz BXSWCBYBYAPOIW-NSHDSACASA-N 0 3 323.418 2.286 20 5 DEBDHN COC[C@H]1CCCCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000452044611 405138836 /nfs/dbraw/zinc/13/88/36/405138836.db2.gz WHIAQSMJJVNRIR-CYBMUJFWSA-N 0 3 321.377 2.424 20 5 DEBDHN COc1ccc(NC(=O)N(C)C[C@@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000421098457 405446927 /nfs/dbraw/zinc/44/69/27/405446927.db2.gz YAPOEFTWEARIGC-LBPRGKRZSA-N 0 3 322.365 2.161 20 5 DEBDHN COc1cc(C(=O)N(C)C[C@@H]2CCCN2C)cc([N+](=O)[O-])c1C ZINC000421715061 405609905 /nfs/dbraw/zinc/60/99/05/405609905.db2.gz XABCSUORPVBLOB-ZDUSSCGKSA-N 0 3 321.377 2.078 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000421781293 405645160 /nfs/dbraw/zinc/64/51/60/405645160.db2.gz AGJDPNFMZFRTHQ-IUODEOHRSA-N 0 3 317.389 2.424 20 5 DEBDHN C[C@@H]1CCN[C@H](C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000423168939 405709557 /nfs/dbraw/zinc/70/95/57/405709557.db2.gz VMCHJXHEBXSCER-CJNGLKHVSA-N 0 3 319.405 2.422 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000457141470 405721475 /nfs/dbraw/zinc/72/14/75/405721475.db2.gz ZGQZOGQEDYTIFP-CYBMUJFWSA-N 0 3 321.377 2.158 20 5 DEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@H]1CCCC(=O)N1 ZINC000433172991 405887628 /nfs/dbraw/zinc/88/76/28/405887628.db2.gz HBZDLTRXTYLMFX-ICDLMJIXSA-N 0 3 303.362 2.256 20 5 DEBDHN CC[C@](C)(N)c1cn(Cc2c(F)cc([N+](=O)[O-])cc2F)nn1 ZINC000603248143 405904801 /nfs/dbraw/zinc/90/48/01/405904801.db2.gz QGBNLEKMBDWFQW-ZDUSSCGKSA-N 0 3 311.292 2.097 20 5 DEBDHN CC[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000459777931 406042066 /nfs/dbraw/zinc/04/20/66/406042066.db2.gz OHKCPKHHGGHCAF-LNSITVRQSA-N 0 3 321.377 2.387 20 5 DEBDHN COc1ccc(CNC[C@@H](CO)Cc2ccco2)cc1[N+](=O)[O-] ZINC000532866023 406104815 /nfs/dbraw/zinc/10/48/15/406104815.db2.gz GZIWVKPQVCEQHI-ZDUSSCGKSA-N 0 3 320.345 2.137 20 5 DEBDHN Cn1ccnc1[C@@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000534580290 406191087 /nfs/dbraw/zinc/19/10/87/406191087.db2.gz ZTYDIAPOORLIQV-CYBMUJFWSA-N 0 3 316.361 2.197 20 5 DEBDHN C[C@@H]1CCCN(C(C)(C)CNC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000520365984 406285927 /nfs/dbraw/zinc/28/59/27/406285927.db2.gz JSIIPYSLTDCNSV-GFCCVEGCSA-N 0 3 322.409 2.174 20 5 DEBDHN Cc1cc([N+](=O)[O-])cnc1N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000488768409 406346173 /nfs/dbraw/zinc/34/61/73/406346173.db2.gz WXKZVNQPAWZFEU-LALPHHSUSA-N 0 3 304.394 2.465 20 5 DEBDHN COCCN(CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCO[C@@H]1C ZINC000489459579 406408144 /nfs/dbraw/zinc/40/81/44/406408144.db2.gz CLUPWVIVZLBLKZ-CJNGLKHVSA-N 0 3 324.377 2.099 20 5 DEBDHN CCN1CCC(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000490855225 406497795 /nfs/dbraw/zinc/49/77/95/406497795.db2.gz ILRSYLVSUYCQRG-VOTSOKGWSA-N 0 3 303.362 2.209 20 5 DEBDHN CCOc1cc(CN2C[C@@H]3CC[C@@H](O)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000491611951 406631079 /nfs/dbraw/zinc/63/10/79/406631079.db2.gz FFZKXGBERQODEN-GZBFAFLISA-N 0 3 306.362 2.196 20 5 DEBDHN CN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C2CC2)C1 ZINC000491686873 406668727 /nfs/dbraw/zinc/66/87/27/406668727.db2.gz SZLAPZQJKWBZNM-VCIFKONDSA-N 0 3 315.373 2.303 20 5 DEBDHN C[C@@H]1C[C@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000491942398 406785016 /nfs/dbraw/zinc/78/50/16/406785016.db2.gz VFKDFRCPQKLJMM-VMIDCOPPSA-N 0 3 303.362 2.207 20 5 DEBDHN O=C1NCCCC[C@H]1N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192650676 225139716 /nfs/dbraw/zinc/13/97/16/225139716.db2.gz WYXNXWUPPSPNTB-LSDHHAIUSA-N 0 3 303.362 2.231 20 5 DEBDHN COCCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000411173435 227351936 /nfs/dbraw/zinc/35/19/36/227351936.db2.gz MMEXCMOOVLWQES-UHFFFAOYSA-N 0 3 307.350 2.034 20 5 DEBDHN CCN1CCCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000209969686 424884395 /nfs/dbraw/zinc/88/43/95/424884395.db2.gz RXCOIZMOYULXGJ-HJWRWDBZSA-N 0 3 303.362 2.162 20 5 DEBDHN C[C@@H](CNc1nc2ccccc2cc1[N+](=O)[O-])N(C)C1CC1 ZINC000352356981 425045120 /nfs/dbraw/zinc/04/51/20/425045120.db2.gz PDNPZSSIGUWDEI-NSHDSACASA-N 0 3 300.362 3.038 20 5 DEBDHN COc1ccc(OCCN2CCC[C@@H](OC)CC2)c([N+](=O)[O-])c1 ZINC000363676411 269069271 /nfs/dbraw/zinc/06/92/71/269069271.db2.gz PFSKMCSHWQSQLP-CYBMUJFWSA-N 0 3 324.377 2.483 20 5 DEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](CN2CCOC2=O)C1 ZINC000496952275 269270175 /nfs/dbraw/zinc/27/01/75/269270175.db2.gz ZIUMSODEYNBDPS-OLZOCXBDSA-N 0 3 319.361 2.430 20 5 DEBDHN C[C@H](N[C@H]1CSC[C@H]1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000507267536 269316322 /nfs/dbraw/zinc/31/63/22/269316322.db2.gz YCTBSIIVSQGERD-SCVCMEIPSA-N 0 3 309.391 2.263 20 5 DEBDHN CO[C@]1(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCOC1 ZINC000447594737 274087527 /nfs/dbraw/zinc/08/75/27/274087527.db2.gz IASCVRBERSHQIR-CVEARBPZSA-N 0 3 306.362 2.367 20 5 DEBDHN CC(C)(CO)[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000339727088 275550071 /nfs/dbraw/zinc/55/00/71/275550071.db2.gz BXZZLDSJKXUVHG-HNNXBMFYSA-N 0 3 318.377 2.358 20 5 DEBDHN CCN(CCNC(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000136904754 276130144 /nfs/dbraw/zinc/13/01/44/276130144.db2.gz UABFANJUQDFPAL-UHFFFAOYSA-N 0 3 311.769 2.462 20 5 DEBDHN CCO[C@H]1C[C@H](N(C)CCn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC000120887069 276364323 /nfs/dbraw/zinc/36/43/23/276364323.db2.gz YUAQOHXFNWFHBY-KBPBESRZSA-N 0 3 308.382 2.071 20 5 DEBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000344662304 277041335 /nfs/dbraw/zinc/04/13/35/277041335.db2.gz IFOIPNNVUDVUPI-CYBMUJFWSA-N 0 3 320.393 2.027 20 5 DEBDHN CN1C[C@@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCC1=O ZINC000192883567 277194724 /nfs/dbraw/zinc/19/47/24/277194724.db2.gz BJPMJNDSADCUEJ-SWLSCSKDSA-N 0 3 303.362 2.183 20 5 DEBDHN C[C@@H](CN1CCOCC1)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192674441 278265521 /nfs/dbraw/zinc/26/55/21/278265521.db2.gz UINDBFSKKUQASE-GUYCJALGSA-N 0 3 319.405 2.283 20 5 DEBDHN COc1ccc(NC(=O)CN[C@H]2CCC2(C)C)c([N+](=O)[O-])c1 ZINC000572494178 325942248 /nfs/dbraw/zinc/94/22/48/325942248.db2.gz MUNRBMKDWMPXIT-ZDUSSCGKSA-N 0 3 307.350 2.320 20 5 DEBDHN CC1(C)[C@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]2CCO[C@H]21 ZINC000575001318 326209245 /nfs/dbraw/zinc/20/92/45/326209245.db2.gz COTMAPGJJOOVHA-COLVAYQJSA-N 0 3 316.361 2.374 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCN1CCOC[C@H]1C ZINC000576619724 326306520 /nfs/dbraw/zinc/30/65/20/326306520.db2.gz NSVNUCGTOLIOSQ-KGLIPLIRSA-N 0 3 307.394 2.275 20 5 DEBDHN O=[N+]([O-])c1c(NC[C@@H]2CCN(C3CC3)C2)nc2sccn21 ZINC000037404520 337363423 /nfs/dbraw/zinc/36/34/23/337363423.db2.gz PIAWCCPOOUDBRY-VIFPVBQESA-N 0 3 307.379 2.200 20 5 DEBDHN CCO[C@@H]1C[C@@H]1N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000577702945 341930160 /nfs/dbraw/zinc/93/01/60/341930160.db2.gz SPQIJHBXTIFXES-DDTOSNHZSA-N 0 3 307.350 2.079 20 5 DEBDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000299157878 533865200 /nfs/dbraw/zinc/86/52/00/533865200.db2.gz SZIBQUQIDDTTSY-UTUOFQBUSA-N 0 3 309.366 2.284 20 5 DEBDHN CN1CCC2(CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000365701395 523787564 /nfs/dbraw/zinc/78/75/64/523787564.db2.gz LJKWACMBKGLIDR-UHFFFAOYSA-N 0 3 317.389 2.082 20 5 DEBDHN CC(C)Oc1cc(C(=O)NCCN2CCCC2)ccc1[N+](=O)[O-] ZINC000413058701 528101797 /nfs/dbraw/zinc/10/17/97/528101797.db2.gz CAWVWSFVLCKLES-UHFFFAOYSA-N 0 3 321.377 2.208 20 5 DEBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCCNCC1 ZINC000422706850 529248177 /nfs/dbraw/zinc/24/81/77/529248177.db2.gz GEQVOXGBGLYMJF-UHFFFAOYSA-N 0 3 309.391 2.142 20 5 DEBDHN CC[C@@H](C)N1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000295903405 529354946 /nfs/dbraw/zinc/35/49/46/529354946.db2.gz DGLVJVISBKJKPW-CZUORRHYSA-N 0 3 307.394 2.044 20 5 DEBDHN CCOC(=O)[C@@H]1CCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1OC ZINC000451773626 535544706 /nfs/dbraw/zinc/54/47/06/535544706.db2.gz DCZFMHGIKCHKQC-KGLIPLIRSA-N 0 3 322.361 2.425 20 5 DEBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000246749916 536472667 /nfs/dbraw/zinc/47/26/67/536472667.db2.gz PPEHKCNYBZSSBR-CMPLNLGQSA-N 0 3 309.391 2.213 20 5 DEBDHN C[C@@H](NC(=O)N1C[C@H](C)NC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000892816700 625629135 /nfs/dbraw/zinc/62/91/35/625629135.db2.gz WTZKTEQAGLRPJV-SDDRHHMPSA-N 0 3 306.366 2.048 20 5 DEBDHN C[C@@H]1C[C@H](Nc2ccc3nonc3c2[N+](=O)[O-])CN1C1CC1 ZINC000892876884 625683315 /nfs/dbraw/zinc/68/33/15/625683315.db2.gz YPHOEFOYAFJLTG-BDAKNGLRSA-N 0 3 303.322 2.168 20 5 DEBDHN C[C@@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1cncs1 ZINC000934194170 624777769 /nfs/dbraw/zinc/77/77/69/624777769.db2.gz AKELYJSNAQHNMK-MNOVXSKESA-N 0 3 323.374 2.142 20 5 DEBDHN COc1c(O)ccc(CN2CCC[C@H]3COCC[C@H]32)c1[N+](=O)[O-] ZINC000892216449 624849660 /nfs/dbraw/zinc/84/96/60/624849660.db2.gz SJBUUWNUASLGAW-QWHCGFSZSA-N 0 3 322.361 2.310 20 5 DEBDHN Cc1cc(F)cc(C(=O)N2CC[C@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000176802136 625244223 /nfs/dbraw/zinc/24/42/23/625244223.db2.gz SKWCHRSXGIOXIH-ZDUSSCGKSA-N 0 3 321.352 2.353 20 5 DEBDHN CN(C)[C@H]1CCOc2c(Nc3c([N+](=O)[O-])cnn3C)cccc21 ZINC000893576181 634803209 /nfs/dbraw/zinc/80/32/09/634803209.db2.gz OJZWUZSFKVYVQT-LBPRGKRZSA-N 0 3 317.349 2.457 20 5 DEBDHN Cc1cc([N+](=O)[O-])c(C(=O)NC2CCN(C)CC2)cc1Cl ZINC000836246890 650070349 /nfs/dbraw/zinc/07/03/49/650070349.db2.gz LNVWPQQNYXNAEK-UHFFFAOYSA-N 0 3 311.769 2.381 20 5 DEBDHN COc1c([O-])ccc(C[NH2+]CCCOC(F)F)c1[N+](=O)[O-] ZINC000894271674 636646363 /nfs/dbraw/zinc/64/63/63/636646363.db2.gz UKOBLZSBEYRILO-UHFFFAOYSA-N 0 3 306.265 2.028 20 5 DEBDHN Cn1nnc2c1C[C@@H](NCc1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC000922993650 636900224 /nfs/dbraw/zinc/90/02/24/636900224.db2.gz KIMKOIYNOIBIGT-JTQLQIEISA-N 0 3 321.768 2.024 20 5 DEBDHN Cc1c(CNC(=O)N(C)[C@H]2CCCN(C)C2)cccc1[N+](=O)[O-] ZINC000894396186 636997039 /nfs/dbraw/zinc/99/70/39/636997039.db2.gz FLZQWMSDIAEUGB-AWEZNQCLSA-N 0 3 320.393 2.139 20 5 DEBDHN C[C@@H]1[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000928451505 637263684 /nfs/dbraw/zinc/26/36/84/637263684.db2.gz UENBIHAODHCOAQ-RISCZKNCSA-N 0 3 305.378 2.081 20 5 DEBDHN Cc1ccc(CN2CC[C@H](Nc3c([N+](=O)[O-])cnn3C)C2)cc1 ZINC000894990349 637358812 /nfs/dbraw/zinc/35/88/12/637358812.db2.gz VHMORJUEYCQDFX-AWEZNQCLSA-N 0 3 315.377 2.323 20 5 DEBDHN CN1CCC[C@@H]2[C@H]1CCN2c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000895092288 637542122 /nfs/dbraw/zinc/54/21/22/637542122.db2.gz OVPIITXKZIQIPY-ZIAGYGMSSA-N 0 3 306.322 2.176 20 5 DEBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3C[C@H]4C[C@@]4(O)C3)o2)cc1 ZINC000895651231 638125853 /nfs/dbraw/zinc/12/58/53/638125853.db2.gz YTIGMFVJNCJYRL-MLGOLLRUSA-N 0 3 300.314 2.421 20 5 DEBDHN COc1c([O-])ccc(CN2CC[N@H+](C)C(C)(C)CC2)c1[N+](=O)[O-] ZINC000895778762 638194660 /nfs/dbraw/zinc/19/46/60/638194660.db2.gz KIFLELMVGYKWRU-UHFFFAOYSA-N 0 3 323.393 2.225 20 5 DEBDHN COc1c([O-])ccc(CN2CC[N@@H+](C)C(C)(C)CC2)c1[N+](=O)[O-] ZINC000895778762 638194665 /nfs/dbraw/zinc/19/46/65/638194665.db2.gz KIFLELMVGYKWRU-UHFFFAOYSA-N 0 3 323.393 2.225 20 5 DEBDHN C[C@H](CNC(=O)N[C@H]1CCN(C)[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000896622987 638611458 /nfs/dbraw/zinc/61/14/58/638611458.db2.gz XUCQWGKQCZVSJE-BZPMIXESSA-N 0 3 320.393 2.090 20 5 DEBDHN C[C@H](CNC(=O)N[C@H]1CCN(C)[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000896622988 638611615 /nfs/dbraw/zinc/61/16/15/638611615.db2.gz XUCQWGKQCZVSJE-DYEKYZERSA-N 0 3 320.393 2.090 20 5 DEBDHN CC1(O)CCC(NCc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000749294852 638632854 /nfs/dbraw/zinc/63/28/54/638632854.db2.gz ATMGYXFFKVMABT-UHFFFAOYSA-N 0 3 322.361 2.149 20 5 DEBDHN O=[N+]([O-])c1ccc(CN[C@@H](CO)C[C@H](O)c2ccccc2)cc1 ZINC000754079611 639382713 /nfs/dbraw/zinc/38/27/13/639382713.db2.gz JKXXYMNJQDLDIV-WBVHZDCISA-N 0 3 316.357 2.169 20 5 DEBDHN COC(=O)C[C@@H](NCc1cc([N+](=O)[O-])ccc1OC)C1CC1 ZINC000754513506 639438018 /nfs/dbraw/zinc/43/80/18/639438018.db2.gz IIPKTEOGMVVPFB-CYBMUJFWSA-N 0 3 308.334 2.035 20 5 DEBDHN C[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)Cc2ccccc21 ZINC000761639677 640331797 /nfs/dbraw/zinc/33/17/97/640331797.db2.gz CNFRDXFBRJJVHC-ZDUSSCGKSA-N 0 3 313.357 2.376 20 5 DEBDHN CN(C)CCN(C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000898017745 641001449 /nfs/dbraw/zinc/00/14/49/641001449.db2.gz RSNIQLFYOSPYSA-HOTGVXAUSA-N 0 3 317.389 2.251 20 5 DEBDHN COC(=O)C[C@@]1(NCc2cccc([N+](=O)[O-])c2C)CCCOC1 ZINC000770704615 641410684 /nfs/dbraw/zinc/41/06/84/641410684.db2.gz FWYDGTYEBUDFFX-INIZCTEOSA-N 0 3 322.361 2.105 20 5 DEBDHN O=[N+]([O-])c1ccc([C@@H](O)CN[C@H](CO)c2cccc(F)c2)cc1 ZINC000782060361 642819170 /nfs/dbraw/zinc/81/91/70/642819170.db2.gz CVKVQACXRFTCLY-CVEARBPZSA-N 0 3 320.320 2.091 20 5 DEBDHN C[C@@H](NCCCCc1ccc([N+](=O)[O-])cc1)c1cn(C)nn1 ZINC000902872257 643166739 /nfs/dbraw/zinc/16/67/39/643166739.db2.gz FLLHGUNSRXSLGW-GFCCVEGCSA-N 0 3 303.366 2.397 20 5 DEBDHN Cc1ccc(-c2ccc(C(=O)OCC(C)[N+](=O)[O-])cc2)nn1 ZINC000842802421 650828936 /nfs/dbraw/zinc/82/89/36/650828936.db2.gz YGLQEDOCEDZQKP-NSHDSACASA-N 0 3 301.302 2.274 20 5 DEBDHN Cc1nc([C@H]2CCCOC2)sc1C(=O)OCC(C)[N+](=O)[O-] ZINC000797277525 644864027 /nfs/dbraw/zinc/86/40/27/644864027.db2.gz BCSWRBXUOCWAER-SCZZXKLOSA-N 0 3 314.363 2.168 20 5 DEBDHN CCN1CCCN(C(=O)c2cccc(C)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000910296041 645408170 /nfs/dbraw/zinc/40/81/70/645408170.db2.gz ZDXHWNHAUIOFDB-ZDUSSCGKSA-N 0 3 305.378 2.460 20 5 DEBDHN CN(C)CCN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C1CC1 ZINC000807266476 645933584 /nfs/dbraw/zinc/93/35/84/645933584.db2.gz ZIEXJFWEVLNTHY-UHFFFAOYSA-N 0 3 311.769 2.414 20 5 DEBDHN CCOc1ccc(OC(C)(C)C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813102962 646728939 /nfs/dbraw/zinc/72/89/39/646728939.db2.gz WVWZKHXHMGJTCC-LLVKDONJSA-N 0 3 311.334 2.451 20 5 DEBDHN CC(C)C(=O)N(C)Cc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813105953 646729239 /nfs/dbraw/zinc/72/92/39/646729239.db2.gz WJMWUHOIJZSAAR-GFCCVEGCSA-N 0 3 322.361 2.123 20 5 DEBDHN COc1ccc(Cl)cc1NCCC(=O)OCC(C)[N+](=O)[O-] ZINC000813106716 646729674 /nfs/dbraw/zinc/72/96/74/646729674.db2.gz GWPKCLBQYKAIIP-SECBINFHSA-N 0 3 316.741 2.359 20 5 DEBDHN COc1ccc(C[C@H](C)C(=O)OCC(C)[N+](=O)[O-])cc1OC ZINC000813105591 646729860 /nfs/dbraw/zinc/72/98/60/646729860.db2.gz PVGXAPZTKXOUAT-WDEREUQCSA-N 0 3 311.334 2.091 20 5 DEBDHN CC(COC(=O)c1cc(Br)ccc1F)[N+](=O)[O-] ZINC000813108925 646730742 /nfs/dbraw/zinc/73/07/42/646730742.db2.gz CGPOEHUHQCFANZ-ZCFIWIBFSA-N 0 3 306.087 2.410 20 5 DEBDHN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813114156 646732342 /nfs/dbraw/zinc/73/23/42/646732342.db2.gz ZHYMRLOQFXIHLU-XHDPSFHLSA-N 0 3 318.329 2.159 20 5 DEBDHN CC(COC(=O)c1cc(F)cc(Br)c1)[N+](=O)[O-] ZINC000813114637 646732683 /nfs/dbraw/zinc/73/26/83/646732683.db2.gz DUFWQWZSAMIFJN-ZCFIWIBFSA-N 0 3 306.087 2.410 20 5 DEBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@H](O)CC23CCC3)c1 ZINC000817290454 647259857 /nfs/dbraw/zinc/25/98/57/647259857.db2.gz IZKIHIWHDNQCIZ-LSDHHAIUSA-N 0 3 306.362 2.008 20 5 DEBDHN COc1cc(CN[C@@H]2COC[C@@H]2C2CC2)c([N+](=O)[O-])cc1OC ZINC000914432593 647356331 /nfs/dbraw/zinc/35/63/31/647356331.db2.gz ADLQTZGYWGCJEE-CHWSQXEVSA-N 0 3 322.361 2.127 20 5 DEBDHN C[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)N1CCCCC1 ZINC000731457145 647480664 /nfs/dbraw/zinc/48/06/64/647480664.db2.gz JDQWAYFEBRXKLJ-LLVKDONJSA-N 0 3 309.341 2.338 20 5 DEBDHN O=[N+]([O-])c1cccc([C@@H](O)CNCc2ccc(CO)c(F)c2)c1 ZINC000819166377 647599157 /nfs/dbraw/zinc/59/91/57/647599157.db2.gz VTKSVDMILHFSTD-INIZCTEOSA-N 0 3 320.320 2.049 20 5 DEBDHN Cc1cc(C)c(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000819357159 647642953 /nfs/dbraw/zinc/64/29/53/647642953.db2.gz NMYJOXWGDPDSLA-MRXNPFEDSA-N 0 3 301.346 2.430 20 5 DEBDHN C[C@H]1CCCCN1CCNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000822104480 648157417 /nfs/dbraw/zinc/15/74/17/648157417.db2.gz YZEANJGGCYWQDS-NSHDSACASA-N 0 3 309.341 2.338 20 5 DEBDHN Cc1ccc(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000825648103 648793980 /nfs/dbraw/zinc/79/39/80/648793980.db2.gz LMPYRMRMLSYKEA-STQMWFEESA-N 0 3 305.378 2.392 20 5 DEBDHN CC[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C[C@H](C)N1 ZINC000826678561 648904708 /nfs/dbraw/zinc/90/47/08/648904708.db2.gz AULQYQVWXZDETB-ZCDTZLGTSA-N 0 3 317.389 2.297 20 5 DEBDHN CC[C@H](C)N1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000829244294 649286816 /nfs/dbraw/zinc/28/68/16/649286816.db2.gz VMVBBMVULYRLGW-LBPRGKRZSA-N 0 3 303.366 2.163 20 5 DEBDHN O=C1O[C@H](CN[C@H]2CCc3c2cccc3[N+](=O)[O-])CN1C1CC1 ZINC000848573713 651472970 /nfs/dbraw/zinc/47/29/70/651472970.db2.gz JFOPCARLHVIDBL-RISCZKNCSA-N 0 3 317.345 2.155 20 5 DEBDHN C[C@@H]1[C@@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCN1C ZINC000928428499 693776680 /nfs/dbraw/zinc/77/66/80/693776680.db2.gz XNSMGBOLFDYZRN-DOMZBBRYSA-N 0 3 317.389 2.225 20 5 DEBDHN Cc1cncn1CC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000860854838 685968829 /nfs/dbraw/zinc/96/88/29/685968829.db2.gz KOHUPGVVRYQTGO-IAQYHMDHSA-N 0 3 321.308 2.280 20 5 DEBDHN O=[N+]([O-])c1ccccc1CNC[C@H]1CC2(CO1)CCOCC2 ZINC000865781060 687332095 /nfs/dbraw/zinc/33/20/95/687332095.db2.gz GIJKBOSZTIOMNL-CQSZACIVSA-N 0 3 306.362 2.270 20 5 DEBDHN Cc1ccc(C(=O)N2CCN(C)C(C)(C)CC2)cc1[N+](=O)[O-] ZINC000871150578 688736187 /nfs/dbraw/zinc/73/61/87/688736187.db2.gz PMSXCKRKHKQDPL-UHFFFAOYSA-N 0 3 305.378 2.460 20 5 DEBDHN C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)N1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000930910847 694269488 /nfs/dbraw/zinc/26/94/88/694269488.db2.gz JJZOXISPWCCHOB-FOGDFJRCSA-N 0 3 309.341 2.208 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCN(CCO)C(C)(C)C1 ZINC000877459107 690119074 /nfs/dbraw/zinc/11/90/74/690119074.db2.gz GMFHZCPLHYZYAG-UHFFFAOYSA-N 0 3 321.421 2.100 20 5 DEBDHN O=C1NCCC12CCN(Cc1ccc(Cl)c([N+](=O)[O-])c1)CC2 ZINC000877783379 690227122 /nfs/dbraw/zinc/22/71/22/690227122.db2.gz QUFLTIMGWSVJFJ-UHFFFAOYSA-N 0 3 323.780 2.350 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H]1Cc1ccccc1 ZINC000878176085 690336592 /nfs/dbraw/zinc/33/65/92/690336592.db2.gz CJJUFPGCWVALBY-HNNXBMFYSA-N 0 3 300.362 2.417 20 5 DEBDHN C[C@@H](NC[C@@H](O)CC1(O)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000878356767 690387394 /nfs/dbraw/zinc/38/73/94/690387394.db2.gz XVYBILGVZSUYGB-DOMZBBRYSA-N 0 3 308.378 2.302 20 5 DEBDHN CC(C)(NCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000879408030 690635631 /nfs/dbraw/zinc/63/56/31/690635631.db2.gz UCEGIAUNBBNWLM-AWEZNQCLSA-N 0 3 321.377 2.471 20 5 DEBDHN CC(C)(C)[C@H](N)c1cn(Cc2cc(F)ccc2[N+](=O)[O-])nn1 ZINC000881226503 691052247 /nfs/dbraw/zinc/05/22/47/691052247.db2.gz PIYUYDACCQFVFU-CYBMUJFWSA-N 0 3 307.329 2.420 20 5 DEBDHN O=C1C[C@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])CN1CC1CC1 ZINC000883396882 691496998 /nfs/dbraw/zinc/49/69/98/691496998.db2.gz YVOSUSKUVORHNU-WFASDCNBSA-N 0 3 315.373 2.183 20 5 DEBDHN N[C@@H](CC1CC1)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000884306337 691705701 /nfs/dbraw/zinc/70/57/01/691705701.db2.gz BKKNLGHMGIQZST-AWEZNQCLSA-N 0 3 303.362 2.213 20 5 DEBDHN COC[C@H](NCc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCCOC1 ZINC000886916078 692230239 /nfs/dbraw/zinc/23/02/39/692230239.db2.gz NZWWLDLWFDQTGK-HIFRSBDPSA-N 0 3 324.377 2.135 20 5 DEBDHN COc1cccc([N+](=O)[O-])c1NC[C@H]1CCN1C1CCOCC1 ZINC000896521030 693003631 /nfs/dbraw/zinc/00/36/31/693003631.db2.gz BSLKKLJSBJSBPE-CYBMUJFWSA-N 0 3 321.377 2.269 20 5 DEBDHN C[C@@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)[C@H](C)CN1C ZINC000611713169 719189355 /nfs/dbraw/zinc/18/93/55/719189355.db2.gz ZARQYXSQFVXARZ-GHMZBOCLSA-N 0 3 301.350 2.067 20 5 DEBDHN Cc1csc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)c1 ZINC001126733244 780517765 /nfs/dbraw/zinc/51/77/65/780517765.db2.gz RGMACUYKSCPRPB-UHFFFAOYSA-N 0 3 319.386 2.484 20 5 DEBDHN O=[N+]([O-])C[C@H]1CC[C@@H](NCc2ncc(Br)s2)C1 ZINC001169000641 784997593 /nfs/dbraw/zinc/99/75/93/784997593.db2.gz YIZTUIRJFHYWSZ-JGVFFNPUSA-N 0 3 320.212 2.441 20 5 DEBDHN COc1ccccc1N1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169006269 785000219 /nfs/dbraw/zinc/00/02/19/785000219.db2.gz GMCPPUHKEKIEOS-LSDHHAIUSA-N 0 3 319.405 2.263 20 5 DEBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCN(Cc3ccc(F)cc3)CC2)C1 ZINC001169009077 785002385 /nfs/dbraw/zinc/00/23/85/785002385.db2.gz VBCFTWPQLBAIAJ-WBVHZDCISA-N 0 3 321.396 2.389 20 5 DEBDHN COC(=O)c1ccc2c(c1)CN([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169046876 785020787 /nfs/dbraw/zinc/02/07/87/785020787.db2.gz OBOCITXRFKBNGT-XHDPSFHLSA-N 0 3 304.346 2.234 20 5 DEBDHN COc1ccc(C[C@H](C)NCc2ccncn2)c([N+](=O)[O-])c1 ZINC001170307896 786915833 /nfs/dbraw/zinc/91/58/33/786915833.db2.gz JWUZOVVWKIWNQY-NSHDSACASA-N 0 3 302.334 2.114 20 5 DEBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)C12CCC(CC1)C2 ZINC001130291986 787333990 /nfs/dbraw/zinc/33/39/90/787333990.db2.gz VAKJFVUZFPNUPD-UHFFFAOYSA-N 0 3 317.389 2.381 20 5 DEBDHN CC(F)(F)CCC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001130384478 787373009 /nfs/dbraw/zinc/37/30/09/787373009.db2.gz JUGKNOXTXFHRQN-UHFFFAOYSA-N 0 3 315.320 2.236 20 5 DEBDHN C[C@@H](Nc1cc(Cl)ccc1/C=C/[N+](=O)[O-])[C@@H]1CNCCO1 ZINC001170566486 787643545 /nfs/dbraw/zinc/64/35/45/787643545.db2.gz ARFXCKOEELJBPJ-SMRHEOAGSA-N 0 3 311.769 2.376 20 5 DEBDHN C=C/C(C)=C\CC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001132492347 788104631 /nfs/dbraw/zinc/10/46/31/788104631.db2.gz CAKLDJCUILLOCC-PQMHYQBVSA-N 0 3 303.362 2.323 20 5 DEBDHN CSC[C@@](C)(O)CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000217855823 789334029 /nfs/dbraw/zinc/33/40/29/789334029.db2.gz MUUSIKATIUZBOH-LBPRGKRZSA-N 0 3 304.799 2.452 20 5 DEBDHN O=C(NCCCNCc1csc([N+](=O)[O-])c1)C1CC=CC1 ZINC001156055415 797914750 /nfs/dbraw/zinc/91/47/50/797914750.db2.gz LXUROPGMVSXWNL-UHFFFAOYSA-N 0 3 309.391 2.218 20 5 DEBDHN C[C@@H](C(=O)N[C@@H]1CN(C)CC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC001156597285 798038540 /nfs/dbraw/zinc/03/85/40/798038540.db2.gz HDMYGFQZEVHWPM-BXUZGUMPSA-N 0 3 305.378 2.155 20 5 DEBDHN Cc1cc(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])co1 ZINC001157062382 798136635 /nfs/dbraw/zinc/13/66/35/798136635.db2.gz CWEFSXFFEJGNSM-UHFFFAOYSA-N 0 3 317.345 2.406 20 5 DEBDHN CCN1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)C(C)(C)C1 ZINC001158562651 798429815 /nfs/dbraw/zinc/42/98/15/798429815.db2.gz FYCZSIYLFWNENP-UHFFFAOYSA-N 0 3 315.377 2.459 20 5 DEBDHN CCN1CCN(c2ncnc3cccc([N+](=O)[O-])c32)C(C)(C)C1 ZINC001158569188 798430700 /nfs/dbraw/zinc/43/07/00/798430700.db2.gz ATGVUBNBNSMOLW-UHFFFAOYSA-N 0 3 315.377 2.459 20 5 DEBDHN CC[NH+](CC)C[C@H](C)NCc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC001200233079 798601048 /nfs/dbraw/zinc/60/10/48/798601048.db2.gz VOFRDAMSJRAXSO-NSHDSACASA-N 0 3 311.382 2.129 20 5 DEBDHN c1cnc2c(c1)ccc1ccc(N3CC[C@@H]4NCCO[C@H]4C3)nc12 ZINC001165269332 799692094 /nfs/dbraw/zinc/69/20/94/799692094.db2.gz JCSMTSJJFBRQSG-HOTGVXAUSA-N 0 3 320.396 2.350 20 5 DEBDHN CCN1CCC[C@@H](Oc2ccc(CC(=O)OC)cc2[N+](=O)[O-])C1 ZINC001226216285 803073322 /nfs/dbraw/zinc/07/33/22/803073322.db2.gz HJGMMQHETZFQGA-CYBMUJFWSA-N 0 3 322.361 2.173 20 5 DEBDHN COC(=O)c1ccc(O[C@@H]2CCN(C(C)C)C2)c([N+](=O)[O-])c1 ZINC001227296277 803228255 /nfs/dbraw/zinc/22/82/55/803228255.db2.gz VWEMPNSWUYIQRC-GFCCVEGCSA-N 0 3 308.334 2.243 20 5 DEBDHN O=[N+]([O-])c1cncnc1OC1CCN(Cc2ccccc2)CC1 ZINC001228656436 803388165 /nfs/dbraw/zinc/38/81/65/803388165.db2.gz DPYWYLAXCFFDQT-UHFFFAOYSA-N 0 3 314.345 2.428 20 5 DEBDHN CCN1CCC[C@@H](Oc2cc(C(=O)OC)cc([N+](=O)[O-])c2)C1 ZINC001228769932 803408235 /nfs/dbraw/zinc/40/82/35/803408235.db2.gz DZCSJXMZWSSDJM-CYBMUJFWSA-N 0 3 308.334 2.245 20 5 DEBDHN CC[C@@H]([NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-])[C@@H](O)C(C)C ZINC001462347918 1058806887 /nfs/dbraw/zinc/80/68/87/1058806887.db2.gz LMFIFGLCSZJIJQ-RISCZKNCSA-N 0 3 312.366 2.194 20 5 DEBDHN CC[C@@H]([NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-])[C@H](O)C(C)C ZINC001462347916 1058808975 /nfs/dbraw/zinc/80/89/75/1058808975.db2.gz LMFIFGLCSZJIJQ-BXUZGUMPSA-N 0 3 312.366 2.194 20 5 DEBDHN O=C(CC1CC1)NC[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001479346836 1061404378 /nfs/dbraw/zinc/40/43/78/1061404378.db2.gz MNYHLQNZGZAUNR-CTYIDZIISA-N 0 3 317.389 2.379 20 5 DEBDHN COc1cc(C[NH2+][C@H](CCO)C2CCCC2)c([N+](=O)[O-])cc1[O-] ZINC001621083396 1078116087 /nfs/dbraw/zinc/11/60/87/1078116087.db2.gz JVLZSPZKBIPFBH-CYBMUJFWSA-N 0 3 324.377 2.340 20 5 DEBDHN CC(C)N1CCC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC001638144963 1078550771 /nfs/dbraw/zinc/55/07/71/1078550771.db2.gz CKJGZJSBQUHTMG-ZDUSSCGKSA-N 0 3 309.341 2.337 20 5 DEBDHN CCN(C(=O)c1cc([N+](=O)[O-])c(F)cc1C)[C@@H]1CCN(C)C1 ZINC001641319523 1078706135 /nfs/dbraw/zinc/70/61/35/1078706135.db2.gz QEWCIEVAPQGCNS-LLVKDONJSA-N 0 3 309.341 2.209 20 5 DEBDHN CC(C)C[C@H](N)C(=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 ZINC001573503528 1069022497 /nfs/dbraw/zinc/02/24/97/1069022497.db2.gz HKBWKNIEDOUTDW-ZDUSSCGKSA-N 0 3 317.349 2.092 20 5 DEBDHN CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2OC)[C@H](CC)CN1 ZINC001573719441 1069078896 /nfs/dbraw/zinc/07/88/96/1069078896.db2.gz OXZTVZGTEARLJZ-VXGBXAGGSA-N 0 3 321.377 2.206 20 5 DEBDHN C[C@@H]1Cc2n[nH]cc2CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001644507265 1078849055 /nfs/dbraw/zinc/84/90/55/1078849055.db2.gz FZSKGQISHUSADM-BDJLRTHQSA-N 0 3 316.361 2.046 20 5 DEBDHN CCCn1cncc1CNCCOc1ccc([N+](=O)[O-])cc1 ZINC001560314155 1075137064 /nfs/dbraw/zinc/13/70/64/1075137064.db2.gz OEJAWZSKEZPQSU-UHFFFAOYSA-N 0 3 304.350 2.370 20 5 DEBDHN CC1(C)CCC[N@@H+]1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590095890 1076562939 /nfs/dbraw/zinc/56/29/39/1076562939.db2.gz CKZOENISULLCLQ-UHFFFAOYSA-N 0 3 302.338 2.149 20 5 DEBDHN CC1(C)CCC[N@H+]1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590095890 1076562942 /nfs/dbraw/zinc/56/29/42/1076562942.db2.gz CKZOENISULLCLQ-UHFFFAOYSA-N 0 3 302.338 2.149 20 5 DEBDHN CC1(C)CCC[N@@H+]1Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590095890 1076562948 /nfs/dbraw/zinc/56/29/48/1076562948.db2.gz CKZOENISULLCLQ-UHFFFAOYSA-N 0 3 302.338 2.149 20 5 DEBDHN CC1(C)CCC[N@H+]1Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590095890 1076562951 /nfs/dbraw/zinc/56/29/51/1076562951.db2.gz CKZOENISULLCLQ-UHFFFAOYSA-N 0 3 302.338 2.149 20 5 DEBDHN CC1CC[NH+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1 ZINC001590271681 1076604917 /nfs/dbraw/zinc/60/49/17/1076604917.db2.gz LFSXELKDHHVOFV-UHFFFAOYSA-N 0 3 302.338 2.007 20 5 DEBDHN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC001595333410 1077060683 /nfs/dbraw/zinc/06/06/83/1077060683.db2.gz ATPSABYNLYOIJZ-QMTHXVAHSA-N 0 3 321.352 2.255 20 5 DEBDHN Cc1[nH]cnc1CC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001597747596 1077100767 /nfs/dbraw/zinc/10/07/67/1077100767.db2.gz RLOLUZNUHYBMMP-UHFFFAOYSA-N 0 3 322.752 2.181 20 5 DEBDHN COc1cc(C[NH2+]C[C@@]2(C)CCCC[C@H]2O)c([N+](=O)[O-])cc1[O-] ZINC001650660151 1079765923 /nfs/dbraw/zinc/76/59/23/1079765923.db2.gz YKACPLPSKIHCGE-HZPDHXFCSA-N 0 3 324.377 2.340 20 5 DEBDHN COc1cc(C[NH2+][C@@H]2CCO[C@H](C3CC3)C2)c([N+](=O)[O-])cc1[O-] ZINC001657749000 1080184718 /nfs/dbraw/zinc/18/47/18/1080184718.db2.gz FXCNVHXIPGJRHT-DOMZBBRYSA-N 0 3 322.361 2.356 20 5 DEBDHN Cc1ccc(CNC(=O)[C@@H](N)C2CCCCC2)cc1[N+](=O)[O-] ZINC001352865413 1151786827 /nfs/dbraw/zinc/78/68/27/1151786827.db2.gz ZEVLPBJXISNKDB-HNNXBMFYSA-N 0 3 305.378 2.427 20 5 DEBDHN CCOc1cc(CN[C@H]2CCC[C@@H]2C(=O)OC)ccc1[N+](=O)[O-] ZINC001322652611 1141667693 /nfs/dbraw/zinc/66/76/93/1141667693.db2.gz DDMMEEQPGJWXGB-STQMWFEESA-N 0 3 322.361 2.425 20 5 DEBDHN CN1CCCC[C@H]1CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC001337558525 1142768473 /nfs/dbraw/zinc/76/84/73/1142768473.db2.gz RHVUDZLPDRMOCF-HNNXBMFYSA-N 0 3 305.378 2.128 20 5 DEBDHN CCOC(=O)[C@H]1CCN([C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254560083 1143247444 /nfs/dbraw/zinc/24/74/44/1143247444.db2.gz OZXZVNOAYDSEFY-JSGCOSHPSA-N 0 3 306.362 2.411 20 5 DEBDHN CCOC(=O)[C@@H]1CCN([C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254560081 1143249538 /nfs/dbraw/zinc/24/95/38/1143249538.db2.gz OZXZVNOAYDSEFY-GXTWGEPZSA-N 0 3 306.362 2.411 20 5 DEBDHN CCOC(=O)[C@H]1[C@@H]2CN([C@@H](C)Cc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC001254564334 1143250134 /nfs/dbraw/zinc/25/01/34/1143250134.db2.gz KFTCERYOOZMKPS-YYWXWVFPSA-N 0 3 318.373 2.267 20 5 DEBDHN CC[C@@H]1CN(CC)CCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001261263651 1144228935 /nfs/dbraw/zinc/22/89/35/1144228935.db2.gz OWOUJQDAVASZIY-GDBMZVCRSA-N 0 3 307.394 2.044 20 5 DEBDHN CC[C@@H]1CN(CC)CCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001261263654 1144229198 /nfs/dbraw/zinc/22/91/98/1144229198.db2.gz OWOUJQDAVASZIY-ZBFHGGJFSA-N 0 3 307.394 2.044 20 5 DEBDHN CC[C@H](CO)N(C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000295693692 529381896 /nfs/dbraw/zinc/38/18/96/529381896.db2.gz LWYUQKVNMFRYRV-CYBMUJFWSA-N 0 3 319.361 2.495 20 5 DEBDHN C[C@H]1C[C@@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCN1C ZINC000088055967 185238460 /nfs/dbraw/zinc/23/84/60/185238460.db2.gz IARJJZNKGNJMRE-ONGXEEELSA-N 0 3 311.769 2.461 20 5 DEBDHN CN(C)CCN(C)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000176378783 282198313 /nfs/dbraw/zinc/19/83/13/282198313.db2.gz NVXXCZQEDADASN-UHFFFAOYSA-N 0 3 319.283 2.247 20 5 DEBDHN COc1ccc(C)cc1[C@@H](C)NCCn1cc([N+](=O)[O-])cn1 ZINC000090539397 185301608 /nfs/dbraw/zinc/30/16/08/185301608.db2.gz VLFMYJIBKFEHRA-GFCCVEGCSA-N 0 3 304.350 2.459 20 5 DEBDHN C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1cccc([N+](=O)[O-])c1 ZINC000090538308 185301748 /nfs/dbraw/zinc/30/17/48/185301748.db2.gz ZBUNLXJDPXDINY-JTQLQIEISA-N 0 3 305.294 2.050 20 5 DEBDHN O=[N+]([O-])c1ccccc1OCCN[C@@H](CO)c1ccccc1 ZINC000182927573 199511121 /nfs/dbraw/zinc/51/11/21/199511121.db2.gz NBQISZWDPVFOEN-AWEZNQCLSA-N 0 3 302.330 2.297 20 5 DEBDHN O=[N+]([O-])c1ccn(CCN[C@@H](CCO)c2ccc(Cl)cc2)n1 ZINC000286659170 219108191 /nfs/dbraw/zinc/10/81/91/219108191.db2.gz AOQLRFZTZCARKX-ZDUSSCGKSA-N 0 3 324.768 2.158 20 5 DEBDHN CN1CC[C@@H]2CCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000272691020 210096989 /nfs/dbraw/zinc/09/69/89/210096989.db2.gz XBCIURQZBHNSJF-XMAAMQLLSA-N 0 3 315.373 2.161 20 5 DEBDHN CN1CCC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000139750362 186023963 /nfs/dbraw/zinc/02/39/63/186023963.db2.gz LBYFDCPZEGCVKI-SNVBAGLBSA-N 0 3 312.757 2.464 20 5 DEBDHN CN1CCC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000139750500 186023968 /nfs/dbraw/zinc/02/39/68/186023968.db2.gz LBYFDCPZEGCVKI-JTQLQIEISA-N 0 3 312.757 2.464 20 5 DEBDHN C[C@@H](NC(=O)N1CCN2CCC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000171902783 198005090 /nfs/dbraw/zinc/00/50/90/198005090.db2.gz GBUKYSQZPLVKIU-IUODEOHRSA-N 0 3 318.377 2.145 20 5 DEBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000287214716 219385279 /nfs/dbraw/zinc/38/52/79/219385279.db2.gz UZNIOBJQZIJMOW-RYUDHWBXSA-N 0 3 319.365 2.080 20 5 DEBDHN C[C@H]1[C@H](N2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000287244712 219401713 /nfs/dbraw/zinc/40/17/13/219401713.db2.gz RGQIRNMPHJVUJI-WDEREUQCSA-N 0 3 309.391 2.355 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@H]2CCCN(C)C2)c1 ZINC000173772015 198249924 /nfs/dbraw/zinc/24/99/24/198249924.db2.gz GNPKJBCHZHVASX-ZDUSSCGKSA-N 0 3 305.378 2.317 20 5 DEBDHN CCC[C@@H](N)C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000182101658 199386235 /nfs/dbraw/zinc/38/62/35/199386235.db2.gz LQHZVIRGHKTLFQ-LLVKDONJSA-N 0 3 303.322 2.051 20 5 DEBDHN CC(C)CN1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000046036998 354269979 /nfs/dbraw/zinc/26/99/79/354269979.db2.gz GQCDNLLAUMDXKX-UHFFFAOYSA-N 0 3 307.394 2.247 20 5 DEBDHN COCCCN(CCOC)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000054365867 354460645 /nfs/dbraw/zinc/46/06/45/354460645.db2.gz JOJNPMJGOUEYLC-UHFFFAOYSA-N 0 3 312.366 2.088 20 5 DEBDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000056999241 354551880 /nfs/dbraw/zinc/55/18/80/354551880.db2.gz SZIBQUQIDDTTSY-IJLUTSLNSA-N 0 3 309.366 2.284 20 5 DEBDHN CCN1CCC(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000063666048 354651974 /nfs/dbraw/zinc/65/19/74/354651974.db2.gz ULYKOICRJDGWHL-VMPITWQZSA-N 0 3 303.362 2.209 20 5 DEBDHN O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@@H]1CN1CCCC1 ZINC000066945558 354740657 /nfs/dbraw/zinc/74/06/57/354740657.db2.gz CPJVFFGEUQWADN-LLVKDONJSA-N 0 3 309.391 2.357 20 5 DEBDHN O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1CCN(CC2CC2)C1 ZINC000087329465 355508272 /nfs/dbraw/zinc/50/82/72/355508272.db2.gz ZXWDWDKOXORTLV-OAHLLOKOSA-N 0 3 317.389 2.128 20 5 DEBDHN CCc1nn(C)c(N2CCN(CCC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000094149336 355694499 /nfs/dbraw/zinc/69/44/99/355694499.db2.gz DUEUCUFUMQUVPX-UHFFFAOYSA-N 0 3 323.441 2.449 20 5 DEBDHN CC[C@H]1CN(C)CCCN1C(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000322805592 356454371 /nfs/dbraw/zinc/45/43/71/356454371.db2.gz RVENEGHXDZDWCM-ZDUSSCGKSA-N 0 3 320.393 2.193 20 5 DEBDHN CCCc1[nH]nc(C(=O)Nc2cccc(CNC)c2)c1[N+](=O)[O-] ZINC000236885271 202050699 /nfs/dbraw/zinc/05/06/99/202050699.db2.gz MJUBITLUPQALQK-UHFFFAOYSA-N 0 3 317.349 2.242 20 5 DEBDHN C[C@@H](CN(C)C)NCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000578905989 356890710 /nfs/dbraw/zinc/89/07/10/356890710.db2.gz JBXJLNGQPVQVIJ-VIFPVBQESA-N 0 3 303.309 2.236 20 5 DEBDHN CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H](N2CCCC2)C[C@H]1C ZINC000579634597 357007400 /nfs/dbraw/zinc/00/74/00/357007400.db2.gz GLFPSFUACDUYOX-YPMHNXCESA-N 0 3 307.398 2.183 20 5 DEBDHN C[C@H](C(=O)N[C@H]1CCN(C)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000581114258 357132479 /nfs/dbraw/zinc/13/24/79/357132479.db2.gz KHEKSVXZVQYMBM-OBJOEFQTSA-N 0 3 305.378 2.297 20 5 DEBDHN CSC[C@H](O)CNCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000581939016 357271537 /nfs/dbraw/zinc/27/15/37/357271537.db2.gz GPWFKQWNOOKZBD-LLVKDONJSA-N 0 3 324.324 2.427 20 5 DEBDHN CC(C)(NCCCCS(C)(=O)=O)c1ccccc1[N+](=O)[O-] ZINC000590019584 357513373 /nfs/dbraw/zinc/51/33/73/357513373.db2.gz FCQNJCAYJUDXSZ-UHFFFAOYSA-N 0 3 314.407 2.244 20 5 DEBDHN O=[N+]([O-])c1cc2c(cc1CNCCC[C@H]1CCOC1)OCCO2 ZINC000590662338 357574931 /nfs/dbraw/zinc/57/49/31/357574931.db2.gz RQOMWMDLVQVDRX-LBPRGKRZSA-N 0 3 322.361 2.272 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000591515453 357732327 /nfs/dbraw/zinc/73/23/27/357732327.db2.gz KEJLIASTEVHCET-QGZVFWFLSA-N 0 3 317.389 2.379 20 5 DEBDHN C[C@H]1SCC[C@@H]1NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000592380609 357869831 /nfs/dbraw/zinc/86/98/31/357869831.db2.gz MQQONHOWJZZQIU-KOLCDFICSA-N 0 3 310.375 2.350 20 5 DEBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@@H]1CNc2ccnn2C1 ZINC000592511977 357890524 /nfs/dbraw/zinc/89/05/24/357890524.db2.gz VNCKVMIUMNMCFV-ZDUSSCGKSA-N 0 3 315.377 2.008 20 5 DEBDHN CC(C)OC1CC(N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000459365310 283299579 /nfs/dbraw/zinc/29/95/79/283299579.db2.gz ADPOSAGXJBCJLM-LRVUVFPRSA-N 0 3 320.393 2.432 20 5 DEBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H](CCO)C(C)(C)C)c1 ZINC000593022208 357989362 /nfs/dbraw/zinc/98/93/62/357989362.db2.gz VVIAWMKQHOKEKU-AWEZNQCLSA-N 0 3 324.377 2.268 20 5 DEBDHN O=[N+]([O-])c1ccc(CNCC[C@]2(O)CCCOC2)c(Cl)c1 ZINC000593688911 358123738 /nfs/dbraw/zinc/12/37/38/358123738.db2.gz XTDUVLXPBRTIIK-CQSZACIVSA-N 0 3 314.769 2.269 20 5 DEBDHN O=C(N[C@H]1CCCN2CCCC[C@@H]12)c1ccccc1[N+](=O)[O-] ZINC000594198166 358221587 /nfs/dbraw/zinc/22/15/87/358221587.db2.gz DPWQHYKEWCGLIN-ZFWWWQNUSA-N 0 3 303.362 2.342 20 5 DEBDHN O=C(N[C@H]1CCCN2CCCC[C@H]12)c1csc([N+](=O)[O-])c1 ZINC000594204967 358223226 /nfs/dbraw/zinc/22/32/26/358223226.db2.gz YZOLRGMBMZQHRE-NWDGAFQWSA-N 0 3 309.391 2.403 20 5 DEBDHN O=[N+]([O-])c1cc(O)ccc1-n1cc(CNC2CCCCC2)nn1 ZINC000594652869 358311187 /nfs/dbraw/zinc/31/11/87/358311187.db2.gz PWGCUMFVDDNNLM-UHFFFAOYSA-N 0 3 317.349 2.303 20 5 DEBDHN CC(C)(CNCc1ccc([N+](=O)[O-])cc1)[C@]1(O)CCCOC1 ZINC000594994659 358374794 /nfs/dbraw/zinc/37/47/94/358374794.db2.gz DMSSMPLNCKZVGC-INIZCTEOSA-N 0 3 308.378 2.252 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC1(OC)CCOCC1 ZINC000595022891 358379689 /nfs/dbraw/zinc/37/96/89/358379689.db2.gz QFBGKAJKRIAAFF-GFCCVEGCSA-N 0 3 324.377 2.450 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H](CCO)CSC ZINC000595024977 358380043 /nfs/dbraw/zinc/38/00/43/358380043.db2.gz IIDNEVVUPNVIOE-WDEREUQCSA-N 0 3 314.407 2.368 20 5 DEBDHN C[C@H](CO)[C@@H]1CCCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000595671526 358518223 /nfs/dbraw/zinc/51/82/23/358518223.db2.gz SROWSURYAZTBOX-CJNGLKHVSA-N 0 3 308.378 2.457 20 5 DEBDHN CC1(C)C[C@H](N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CO1 ZINC000595370814 358432860 /nfs/dbraw/zinc/43/28/60/358432860.db2.gz JPSZBTJZWYVWNS-AAEUAGOBSA-N 0 3 306.366 2.044 20 5 DEBDHN CCCN1CC[C@@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000595804677 358552721 /nfs/dbraw/zinc/55/27/21/358552721.db2.gz BSKXQQGKNSNIMO-CQSZACIVSA-N 0 3 320.393 2.221 20 5 DEBDHN CCOC(=O)CC1(NCc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000595874016 358568752 /nfs/dbraw/zinc/56/87/52/358568752.db2.gz JTIHFYXPZPWTCK-UHFFFAOYSA-N 0 3 322.361 2.187 20 5 DEBDHN CCOc1cccc(NCCN2CCN(CC)CC2)c1[N+](=O)[O-] ZINC000596074563 358604764 /nfs/dbraw/zinc/60/47/64/358604764.db2.gz VITFDOHWKLJVLX-UHFFFAOYSA-N 0 3 322.409 2.043 20 5 DEBDHN C[C@@H](CN1CCC(C)CC1)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000596488848 358697701 /nfs/dbraw/zinc/69/77/01/358697701.db2.gz SHFJADJJXIHSIT-LBPRGKRZSA-N 0 3 320.393 2.226 20 5 DEBDHN CC(C)[C@H]1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCN1 ZINC000598569688 359244692 /nfs/dbraw/zinc/24/46/92/359244692.db2.gz CPCNIEHPBPXRLT-CYBMUJFWSA-N 0 3 316.361 2.146 20 5 DEBDHN CC(C)[C@@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CCN1 ZINC000598572957 359245634 /nfs/dbraw/zinc/24/56/34/359245634.db2.gz NPMBVJPCOBREDZ-NSHDSACASA-N 0 3 311.769 2.318 20 5 DEBDHN CC(C)[C@H]1CN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CCN1 ZINC000598572086 359245653 /nfs/dbraw/zinc/24/56/53/359245653.db2.gz KVNHAJNGNYHEPC-IAQYHMDHSA-N 0 3 323.368 2.294 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000599622712 359545314 /nfs/dbraw/zinc/54/53/14/359545314.db2.gz IMDZUYXRFSFEAH-RRQGHBQHSA-N 0 3 322.405 2.277 20 5 DEBDHN CCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000599985637 359629703 /nfs/dbraw/zinc/62/97/03/359629703.db2.gz IEWHUGMETPDSQG-UHFFFAOYSA-N 0 3 309.341 2.290 20 5 DEBDHN CN(C)C1(CN(C)C(=O)Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000187019947 200048176 /nfs/dbraw/zinc/04/81/76/200048176.db2.gz IAHIIVSKPBJHNF-UHFFFAOYSA-N 0 3 305.378 2.080 20 5 DEBDHN COc1ccc(CN[C@@H](C)C[C@@H]2CCCC(=O)N2)cc1[N+](=O)[O-] ZINC000602529014 360419337 /nfs/dbraw/zinc/41/93/37/360419337.db2.gz OFBVBASKZKXLFK-AAEUAGOBSA-N 0 3 321.377 2.140 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)Cc1cccc(N(C)C)c1 ZINC000602794461 360558081 /nfs/dbraw/zinc/55/80/81/360558081.db2.gz BVNGCECIZMZDDL-UHFFFAOYSA-N 0 3 317.393 2.298 20 5 DEBDHN COc1ccc(NC(=O)NC2(CN(C)C)CCC2)cc1[N+](=O)[O-] ZINC000281261779 216194916 /nfs/dbraw/zinc/19/49/16/216194916.db2.gz AMRQMHYYYKFCKP-UHFFFAOYSA-N 0 3 322.365 2.209 20 5 DEBDHN O=[N+]([O-])c1ccc(NC[C@H]2CSCCN2)cc1OC(F)F ZINC000603418969 360826045 /nfs/dbraw/zinc/82/60/45/360826045.db2.gz JXSCGNABDUKHTE-VIFPVBQESA-N 0 3 319.333 2.313 20 5 DEBDHN O=[N+]([O-])c1ccc(NC[C@H]2CSCCN2)c2ncccc12 ZINC000603420611 360826750 /nfs/dbraw/zinc/82/67/50/360826750.db2.gz UUHIOLVUYLKWIV-JTQLQIEISA-N 0 3 304.375 2.260 20 5 DEBDHN O=[N+]([O-])c1ccccc1CN1CCCN(C[C@@H]2CCCO2)CC1 ZINC000603848322 360865019 /nfs/dbraw/zinc/86/50/19/360865019.db2.gz LLQSTZQEKGHALB-INIZCTEOSA-N 0 3 319.405 2.282 20 5 DEBDHN CN(CCCOCc1ccccc1)CCn1cc([N+](=O)[O-])cn1 ZINC000281409267 216279622 /nfs/dbraw/zinc/27/96/22/216279622.db2.gz OBQDITSCEXFGSJ-UHFFFAOYSA-N 0 3 318.377 2.330 20 5 DEBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@@H](O)C23CCCC3)c1 ZINC000292710112 223212395 /nfs/dbraw/zinc/21/23/95/223212395.db2.gz LJYWYMCEUBWNGH-LSDHHAIUSA-N 0 3 306.362 2.008 20 5 DEBDHN CC[C@@H](CN1CCCC1)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000610720110 361451675 /nfs/dbraw/zinc/45/16/75/361451675.db2.gz WBHSHJHHVULYHW-AWEZNQCLSA-N 0 3 320.393 2.268 20 5 DEBDHN Cc1ccc([C@H](C)NCc2ccn(C)c(=O)c2)cc1[N+](=O)[O-] ZINC000611404460 361591682 /nfs/dbraw/zinc/59/16/82/361591682.db2.gz NFEDZRYHTBDSQJ-LBPRGKRZSA-N 0 3 301.346 2.453 20 5 DEBDHN C[C@H]1C[C@@H](CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000611293162 361573826 /nfs/dbraw/zinc/57/38/26/361573826.db2.gz UDOIZHACBHLAKV-RYUDHWBXSA-N 0 3 322.361 2.271 20 5 DEBDHN CCn1cnnc1CCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000611336055 361581779 /nfs/dbraw/zinc/58/17/79/361581779.db2.gz ZDUKMFBOIKOTSD-LBPRGKRZSA-N 0 3 303.366 2.408 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](C)[C@H]1CN(C)CCO1 ZINC000611336912 361582037 /nfs/dbraw/zinc/58/20/37/361582037.db2.gz GRALZNAEPZQNMH-HEHGZKQESA-N 0 3 307.394 2.273 20 5 DEBDHN CC(C)CN1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611700429 361660663 /nfs/dbraw/zinc/66/06/63/361660663.db2.gz RITJMNJCAQZALI-UHFFFAOYSA-N 0 3 315.377 2.316 20 5 DEBDHN CCN1CCCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611704533 361662089 /nfs/dbraw/zinc/66/20/89/361662089.db2.gz BNHSVWDOHXDBGW-UHFFFAOYSA-N 0 3 301.350 2.070 20 5 DEBDHN Cc1cccc(NCCN2CCN(C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000281558960 216383111 /nfs/dbraw/zinc/38/31/11/216383111.db2.gz CUWREGDBRLNONA-UHFFFAOYSA-N 0 3 306.410 2.341 20 5 DEBDHN CO[C@@H]1[C@H](C)[C@@H](NCC(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC000271825584 209247060 /nfs/dbraw/zinc/24/70/60/209247060.db2.gz CZPKNKGZQLRHAS-VCTAVGKDSA-N 0 3 321.377 2.182 20 5 DEBDHN C[C@H](NC[C@@H](O)COCC(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000293036611 223364330 /nfs/dbraw/zinc/36/43/30/223364330.db2.gz WSQPPYLZPIVLJL-VHSXEESVSA-N 0 3 322.283 2.185 20 5 DEBDHN O=C1NCCCC[C@@H]1N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545473 243100538 /nfs/dbraw/zinc/10/05/38/243100538.db2.gz HMOQYBVIJBSECU-ZBFHGGJFSA-N 0 3 317.389 2.443 20 5 DEBDHN O=[N+]([O-])c1cccc(OCCN2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)c1 ZINC000451716990 243355225 /nfs/dbraw/zinc/35/52/25/243355225.db2.gz VGMVNMKOOSZLAN-FMKPAKJESA-N 0 3 320.389 2.457 20 5 DEBDHN O=[N+]([O-])c1cnn(CCN2CCCc3ccccc3CC2)c1 ZINC000451716150 243355265 /nfs/dbraw/zinc/35/52/65/243355265.db2.gz YLHYZFPBCOLYBO-UHFFFAOYSA-N 0 3 300.362 2.282 20 5 DEBDHN C[C@@H](N[C@@H](C)Cc1ccccc1[N+](=O)[O-])C(=O)NC(C)(C)C ZINC000449099786 296148189 /nfs/dbraw/zinc/14/81/89/296148189.db2.gz UXWRBRYASVUDLS-NWDGAFQWSA-N 0 3 307.394 2.419 20 5 DEBDHN O=[N+]([O-])c1cccc(OCCN2CCN(C3CCC3)CC2)c1 ZINC000265053897 204367616 /nfs/dbraw/zinc/36/76/16/204367616.db2.gz XDRZFVLSZIMUBD-UHFFFAOYSA-N 0 3 305.378 2.144 20 5 DEBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2CCC3(CCOCC3)[C@H]2O)cc1 ZINC000282955487 217350392 /nfs/dbraw/zinc/35/03/92/217350392.db2.gz YBVPQVAPJOYSQZ-HOCLYGCPSA-N 0 3 320.389 2.252 20 5 DEBDHN C[C@@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000492542671 249085664 /nfs/dbraw/zinc/08/56/64/249085664.db2.gz ZCDSDJDPWUKTOY-KTRBRXNASA-N 0 3 315.373 2.375 20 5 DEBDHN C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cn2)CN1Cc1ccccc1 ZINC000274007988 211265715 /nfs/dbraw/zinc/26/57/15/211265715.db2.gz UOJDRBPLOZAMFF-GXTWGEPZSA-N 0 3 313.361 2.460 20 5 DEBDHN CN(C)Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000033083700 207353593 /nfs/dbraw/zinc/35/35/93/207353593.db2.gz SCVMTKOXSYHWDS-UHFFFAOYSA-N 0 3 303.318 2.179 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1N1CC[C@@H](N3CCCC3)C1)CCN2 ZINC000302465353 285146281 /nfs/dbraw/zinc/14/62/81/285146281.db2.gz SHAMFEPOQSYJHR-GFCCVEGCSA-N 0 3 302.378 2.237 20 5 DEBDHN Cc1cc(C(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000120637760 195206623 /nfs/dbraw/zinc/20/66/23/195206623.db2.gz RLSTXUALRNRYRZ-JSGCOSHPSA-N 0 3 305.378 2.315 20 5 DEBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000120726785 195225788 /nfs/dbraw/zinc/22/57/88/195225788.db2.gz CSURDDIFFYMOMD-MVQLRYDASA-N 0 3 317.389 2.407 20 5 DEBDHN COc1cc(C(=O)N(C)[C@H]2CCN(C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000120955973 195270465 /nfs/dbraw/zinc/27/04/65/195270465.db2.gz VEWDMRFRLQSUMV-YPMHNXCESA-N 0 3 321.377 2.016 20 5 DEBDHN COc1cccc(C(=O)NC(C)(C)CN2CCCC2)c1[N+](=O)[O-] ZINC000411084799 533404456 /nfs/dbraw/zinc/40/44/56/533404456.db2.gz JDGHNNVBOUFFGJ-UHFFFAOYSA-N 0 3 321.377 2.208 20 5 DEBDHN COc1ccc(CNCCc2nccnc2C)cc1[N+](=O)[O-] ZINC000293199178 533665237 /nfs/dbraw/zinc/66/52/37/533665237.db2.gz XOIJZYGMZVUMEQ-UHFFFAOYSA-N 0 3 302.334 2.034 20 5 DEBDHN C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000355359557 133020546 /nfs/dbraw/zinc/02/05/46/133020546.db2.gz ZNFJEWGACKSVOZ-FRRDWIJNSA-N 0 3 321.377 2.327 20 5 DEBDHN COCCO[C@@H]1COCC[C@@H]1N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000362698222 133246178 /nfs/dbraw/zinc/24/61/78/133246178.db2.gz HTIDAJCGILINGC-UHOFOFEASA-N 0 3 324.377 2.066 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H](C)N1CCCC1 ZINC000564812949 292112351 /nfs/dbraw/zinc/11/23/51/292112351.db2.gz LHUYOEGTHMCPGA-ZDUSSCGKSA-N 0 3 305.378 2.426 20 5 DEBDHN CSc1cccc(C(=O)NC2CCN(C)CC2)c1[N+](=O)[O-] ZINC000188024154 145005680 /nfs/dbraw/zinc/00/56/80/145005680.db2.gz YNJCNUSNPVURSI-UHFFFAOYSA-N 0 3 309.391 2.141 20 5 DEBDHN C[C@@H](C(=O)NC1(CN(C)C)CCC1)c1ccc([N+](=O)[O-])cc1F ZINC000341954796 145530666 /nfs/dbraw/zinc/53/06/66/145530666.db2.gz XTLSQXLJXOVVQU-LLVKDONJSA-N 0 3 323.368 2.438 20 5 DEBDHN Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)N(C)C)cc1 ZINC000346367994 146070009 /nfs/dbraw/zinc/07/00/09/146070009.db2.gz GNACDKNFPVLANK-OAHLLOKOSA-N 0 3 316.361 2.264 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(C)CC[C@@H]1C ZINC000346406956 146077111 /nfs/dbraw/zinc/07/71/11/146077111.db2.gz ZUGDKVDXWLHUSW-NSHDSACASA-N 0 3 322.365 2.161 20 5 DEBDHN Cc1c(CNC(=O)N(C)CCN2CCCC2)cccc1[N+](=O)[O-] ZINC000359538106 147346169 /nfs/dbraw/zinc/34/61/69/147346169.db2.gz BQLLOFKUWNFQHZ-UHFFFAOYSA-N 0 3 320.393 2.140 20 5 DEBDHN Cn1cnc([N+](=O)[O-])c1CN1CCC[C@@H]1[C@H]1CCCC[C@@]1(C)O ZINC000375456860 148374954 /nfs/dbraw/zinc/37/49/54/148374954.db2.gz BCVPWDYLMYSBLZ-XJKCOSOUSA-N 0 3 322.409 2.234 20 5 DEBDHN Cc1ccc([C@H](C)N[C@H](C)CCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000127249611 401725910 /nfs/dbraw/zinc/72/59/10/401725910.db2.gz MPEKKLWRDCVTPD-NEPJUHHUSA-N 0 3 314.407 2.377 20 5 DEBDHN CC[C@@H](N[C@@H](C)CCS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000127360339 401731280 /nfs/dbraw/zinc/73/12/80/401731280.db2.gz QBZZBMHOOACSPS-SMDDNHRTSA-N 0 3 314.407 2.459 20 5 DEBDHN O=[N+]([O-])c1ccccc1OCCN1CCC(C2OCCO2)CC1 ZINC000110455962 401690908 /nfs/dbraw/zinc/69/09/08/401690908.db2.gz TWPUDPQPEMMLEP-UHFFFAOYSA-N 0 3 322.361 2.059 20 5 DEBDHN C[C@H](CN1CCCCC1)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000077494371 401817613 /nfs/dbraw/zinc/81/76/13/401817613.db2.gz VSCQIRRJEQRWBU-LLVKDONJSA-N 0 3 309.341 2.338 20 5 DEBDHN O=C(CCCNCc1cc(Cl)ccc1[N+](=O)[O-])NC1CC1 ZINC000084439842 401905635 /nfs/dbraw/zinc/90/56/35/401905635.db2.gz ZNNRVCWCAOUMRO-UHFFFAOYSA-N 0 3 311.769 2.397 20 5 DEBDHN CCN1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000044670923 401947232 /nfs/dbraw/zinc/94/72/32/401947232.db2.gz QDQOJESSFFAICI-LLVKDONJSA-N 0 3 311.769 2.462 20 5 DEBDHN COc1cc(CNC[C@@]2(C)CCCO2)c([N+](=O)[O-])cc1OC ZINC000152921261 402116905 /nfs/dbraw/zinc/11/69/05/402116905.db2.gz WKQLUCAFBILFLW-OAHLLOKOSA-N 0 3 310.350 2.271 20 5 DEBDHN CN(C)[C@H]1CCCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000068342256 402194553 /nfs/dbraw/zinc/19/45/53/402194553.db2.gz CGVFFJFKDAXZKS-HVHJFMEUSA-N 0 3 303.362 2.161 20 5 DEBDHN O=[N+]([O-])c1cccc(CN2CCC[C@H](CN3CCOCC3)C2)c1 ZINC000069803256 402244347 /nfs/dbraw/zinc/24/43/47/402244347.db2.gz CXBSWRTXMJBFQS-MRXNPFEDSA-N 0 3 319.405 2.139 20 5 DEBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCN1CCCC1 ZINC000184654895 402289088 /nfs/dbraw/zinc/28/90/88/402289088.db2.gz JRKYHEGFTYAJGW-OAHLLOKOSA-N 0 3 319.405 2.376 20 5 DEBDHN CN(C)CCCNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000217621723 402293077 /nfs/dbraw/zinc/29/30/77/402293077.db2.gz JWAFFPORYVTBSG-UHFFFAOYSA-N 0 3 323.396 2.363 20 5 DEBDHN COCCN(C)CCNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000189619354 402548148 /nfs/dbraw/zinc/54/81/48/402548148.db2.gz NCRNQRFXIUFEST-UHFFFAOYSA-N 0 3 323.393 2.026 20 5 DEBDHN CN(CC1CCN(C)CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000171721283 402614499 /nfs/dbraw/zinc/61/44/99/402614499.db2.gz WUJRTTJMIIZCFT-UHFFFAOYSA-N 0 3 306.366 2.400 20 5 DEBDHN NC(=O)c1ccc(CN2CCC3(CCCC3)C2)c([N+](=O)[O-])c1 ZINC000173822760 402714716 /nfs/dbraw/zinc/71/47/16/402714716.db2.gz LBRFMNTUZYBIJR-UHFFFAOYSA-N 0 3 303.362 2.460 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000172606175 402665582 /nfs/dbraw/zinc/66/55/82/402665582.db2.gz FMOLJEYMQQWVIX-RISCZKNCSA-N 0 3 321.377 2.016 20 5 DEBDHN C[C@H](CNC(=O)/C=C\c1ccccc1[N+](=O)[O-])N(C)C1CC1 ZINC000255126087 402679557 /nfs/dbraw/zinc/67/95/57/402679557.db2.gz OAMVIMIYKCCNFK-MQGYJPLLSA-N 0 3 303.362 2.207 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](N3CCCC3)C2)c1 ZINC000173444982 402697689 /nfs/dbraw/zinc/69/76/89/402697689.db2.gz TUVDDZIKKUZYCU-CYBMUJFWSA-N 0 3 303.362 2.214 20 5 DEBDHN O=[N+]([O-])c1cccc(OCCN[C@H](CO)c2ccccc2)c1 ZINC000182894650 402725219 /nfs/dbraw/zinc/72/52/19/402725219.db2.gz ZSKVGWDFDJRDKQ-MRXNPFEDSA-N 0 3 302.330 2.297 20 5 DEBDHN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC[C@H]1CN1CCCCC1 ZINC000263924807 402820887 /nfs/dbraw/zinc/82/08/87/402820887.db2.gz USYFMOFORNBUFQ-LBPRGKRZSA-N 0 3 306.366 2.013 20 5 DEBDHN C[C@H]1CN(C2CCOCC2)CCN1c1ccccc1[N+](=O)[O-] ZINC000278791449 402871776 /nfs/dbraw/zinc/87/17/76/402871776.db2.gz QHFWAONJDNJAPJ-ZDUSSCGKSA-N 0 3 305.378 2.284 20 5 DEBDHN O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@@H](N2CCCCC2)C1 ZINC000264550673 402888358 /nfs/dbraw/zinc/88/83/58/402888358.db2.gz OYXPNLKMWSCKIY-OAHLLOKOSA-N 0 3 303.362 2.295 20 5 DEBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000272128609 402900547 /nfs/dbraw/zinc/90/05/47/402900547.db2.gz BELWHOFKPMMCGM-ZDUSSCGKSA-N 0 3 319.405 2.326 20 5 DEBDHN CCc1ccc(C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000272441429 402937523 /nfs/dbraw/zinc/93/75/23/402937523.db2.gz IRQQUZRAOJKANP-XJKSGUPXSA-N 0 3 317.389 2.323 20 5 DEBDHN CCN1CCCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000265806658 402951886 /nfs/dbraw/zinc/95/18/86/402951886.db2.gz OOSCUCCIPNCXCQ-UHFFFAOYSA-N 0 3 319.405 2.427 20 5 DEBDHN CC[NH+](CC)CC[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272597406 402957898 /nfs/dbraw/zinc/95/78/98/402957898.db2.gz UQRARBYJKRYENW-UHFFFAOYSA-N 0 3 315.320 2.145 20 5 DEBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000272206005 402909433 /nfs/dbraw/zinc/90/94/33/402909433.db2.gz QNVOCVRJIQHKED-JTQLQIEISA-N 0 3 311.407 2.459 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000272241866 402913805 /nfs/dbraw/zinc/91/38/05/402913805.db2.gz GQSGSNQGAZRJPG-WFASDCNBSA-N 0 3 318.377 2.461 20 5 DEBDHN O=[N+]([O-])c1ccn(CCN2CC[C@H](c3cccc(F)c3)C2)n1 ZINC000267095926 403015210 /nfs/dbraw/zinc/01/52/10/403015210.db2.gz RLRSLBHEQTWDKF-ZDUSSCGKSA-N 0 3 304.325 2.420 20 5 DEBDHN Cc1cccc(CN(CCN(C)C)c2c([N+](=O)[O-])ncn2C)c1 ZINC000268282493 403070089 /nfs/dbraw/zinc/07/00/89/403070089.db2.gz BOIHPDXVBZQPTD-UHFFFAOYSA-N 0 3 317.393 2.205 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)N(C)C ZINC000281984419 403110646 /nfs/dbraw/zinc/11/06/46/403110646.db2.gz PBHIUQWTLOKKKW-SNVBAGLBSA-N 0 3 310.354 2.065 20 5 DEBDHN CN1CCC(Nc2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 ZINC000269268582 403126704 /nfs/dbraw/zinc/12/67/04/403126704.db2.gz COGLHTJFWVBOHS-UHFFFAOYSA-N 0 3 320.349 2.058 20 5 DEBDHN CN(C)C1(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000275987566 403137343 /nfs/dbraw/zinc/13/73/43/403137343.db2.gz NHRLUJCKMRCJBX-RMKNXTFCSA-N 0 3 303.362 2.209 20 5 DEBDHN CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](CO)c1ccccc1 ZINC000269645916 403153217 /nfs/dbraw/zinc/15/32/17/403153217.db2.gz KYPICNGJOCDJER-DLBZAZTESA-N 0 3 316.357 2.294 20 5 DEBDHN O=[N+]([O-])c1cccc(CN[C@@H](CO)C[C@@H](O)c2ccccc2)c1 ZINC000269925401 403175995 /nfs/dbraw/zinc/17/59/95/403175995.db2.gz LWSUBRKZQIVSML-NVXWUHKLSA-N 0 3 316.357 2.169 20 5 DEBDHN CCN1CCN(CCCNc2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000269932612 403176925 /nfs/dbraw/zinc/17/69/25/403176925.db2.gz NKVOYHGBTHBUGE-UHFFFAOYSA-N 0 3 306.410 2.343 20 5 DEBDHN C[C@@H](CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)N(C)C ZINC000298394487 403373731 /nfs/dbraw/zinc/37/37/31/403373731.db2.gz KYSQNVFXCQQAFQ-QMMMGPOBSA-N 0 3 300.746 2.320 20 5 DEBDHN CN(C[C@@H]1CCCN1C)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000331603373 403429059 /nfs/dbraw/zinc/42/90/59/403429059.db2.gz CYWYJHIQNCMQBI-LBPRGKRZSA-N 0 3 316.361 2.242 20 5 DEBDHN O=C1CCC(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000331502192 403401365 /nfs/dbraw/zinc/40/13/65/403401365.db2.gz NZBIVUNRNJFMIN-ZDUSSCGKSA-N 0 3 318.377 2.235 20 5 DEBDHN C[C@@H]1C[C@@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCN1C ZINC000332125456 403491750 /nfs/dbraw/zinc/49/17/50/403491750.db2.gz CYEMOKDYUZKFSP-PWSUYJOCSA-N 0 3 316.361 2.289 20 5 DEBDHN O=[N+]([O-])c1ccc2oc(CN[C@H]3CCC[C@@H]3CCO)nc2c1 ZINC000286242944 403480262 /nfs/dbraw/zinc/48/02/62/403480262.db2.gz RWJGWFXFZZORKN-PWSUYJOCSA-N 0 3 305.334 2.377 20 5 DEBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000343277368 403522395 /nfs/dbraw/zinc/52/23/95/403522395.db2.gz WYCIINLRFRDMPL-LLVKDONJSA-N 0 3 321.377 2.206 20 5 DEBDHN Cc1ccc([C@H](C)NCCC2(O)CCOCC2)cc1[N+](=O)[O-] ZINC000287300552 403570196 /nfs/dbraw/zinc/57/01/96/403570196.db2.gz DOEDTOSKKXGPKN-ZDUSSCGKSA-N 0 3 308.378 2.485 20 5 DEBDHN C[C@H](NCCNC(=O)OC(C)(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293849993 403580698 /nfs/dbraw/zinc/58/06/98/403580698.db2.gz UCXBAHBKHKXQLC-JTQLQIEISA-N 0 3 324.381 2.352 20 5 DEBDHN C[C@H]1[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)CCCN1C ZINC000343527296 403623501 /nfs/dbraw/zinc/62/35/01/403623501.db2.gz VGUGLDNPCZXNBM-WFASDCNBSA-N 0 3 305.378 2.126 20 5 DEBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)N(C)C ZINC000294236160 403680243 /nfs/dbraw/zinc/68/02/43/403680243.db2.gz VUQIDPDRGIUJQY-QMMMGPOBSA-N 0 3 319.283 2.294 20 5 DEBDHN O=[N+]([O-])c1cc(F)c(NCCCN2CCC(O)CC2)c(F)c1 ZINC000301793441 403681021 /nfs/dbraw/zinc/68/10/21/403681021.db2.gz PCKFZXIAOGGYME-UHFFFAOYSA-N 0 3 315.320 2.132 20 5 DEBDHN C[C@@H]1CN(C2CC2)C[C@@H]1Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000287932356 403694041 /nfs/dbraw/zinc/69/40/41/403694041.db2.gz QZELPTHOEOMDPB-KCJUWKMLSA-N 0 3 319.390 2.494 20 5 DEBDHN CC(=O)NCC[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000347629868 403782521 /nfs/dbraw/zinc/78/25/21/403782521.db2.gz MKSLOBMSRXLEHU-AWEZNQCLSA-N 0 3 305.378 2.333 20 5 DEBDHN CCCN1CCC[C@@H]1CNc1nc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000343913068 403789163 /nfs/dbraw/zinc/78/91/63/403789163.db2.gz NFBYJTFYZJPMRE-LLVKDONJSA-N 0 3 322.365 2.063 20 5 DEBDHN C[C@H](CN(C)C)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000354579938 403886877 /nfs/dbraw/zinc/88/68/77/403886877.db2.gz QDDPPGLGKQMAQV-MRVPVSSYSA-N 0 3 319.283 2.294 20 5 DEBDHN COC1([C@@H](C)NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])CCC1 ZINC000412020798 404059551 /nfs/dbraw/zinc/05/95/51/404059551.db2.gz JZOSIOKVBSMECY-GFCCVEGCSA-N 0 3 321.377 2.389 20 5 DEBDHN COC(=O)[C@]1(C)CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000412110642 404141369 /nfs/dbraw/zinc/14/13/69/404141369.db2.gz VDULYEMAVUMJHU-MRXNPFEDSA-N 0 3 322.361 2.249 20 5 DEBDHN COc1ccc(NC(=O)N[C@H]2CCCN(C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000345118296 404559456 /nfs/dbraw/zinc/55/94/56/404559456.db2.gz VZAHGEBALBVXBH-PWSUYJOCSA-N 0 3 322.365 2.208 20 5 DEBDHN O=[N+]([O-])c1ccc2[nH]c(CN[C@@H](CO)C3CCCC3)nc2c1 ZINC000352708486 404565023 /nfs/dbraw/zinc/56/50/23/404565023.db2.gz WRXPSWTZFWATNC-AWEZNQCLSA-N 0 3 304.350 2.112 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CSC[C@H]1C ZINC000352813821 404642477 /nfs/dbraw/zinc/64/24/77/404642477.db2.gz CTJZZMYXISYWJL-ZWNOBZJWSA-N 0 3 309.391 2.183 20 5 DEBDHN O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[C@H](N2CCCC2)C1 ZINC000373980902 404661255 /nfs/dbraw/zinc/66/12/55/404661255.db2.gz KSABDDNJOZBLHE-AWEZNQCLSA-N 0 3 304.350 2.297 20 5 DEBDHN COc1ccc(CN[C@@H]2CCCC(F)(F)[C@H]2O)cc1[N+](=O)[O-] ZINC000414542316 404672744 /nfs/dbraw/zinc/67/27/44/404672744.db2.gz XUFWOIGYAODGLG-MFKMUULPSA-N 0 3 316.304 2.242 20 5 DEBDHN CCN1C[C@@H](C)N(CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000330586787 404693685 /nfs/dbraw/zinc/69/36/85/404693685.db2.gz SRIMFUJZZMMQNN-UONOGXRCSA-N 0 3 307.394 2.388 20 5 DEBDHN COc1ccc(CNC[C@H](N)c2ccccc2)cc1[N+](=O)[O-] ZINC000414827223 404742612 /nfs/dbraw/zinc/74/26/12/404742612.db2.gz GWCCFUDUNKTHNQ-AWEZNQCLSA-N 0 3 301.346 2.393 20 5 DEBDHN C[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1ccc2n[nH]cc2c1 ZINC000353328599 404804040 /nfs/dbraw/zinc/80/40/40/404804040.db2.gz MRJVZSGAEZRJRN-SNVBAGLBSA-N 0 3 300.322 2.018 20 5 DEBDHN C[C@@H](O)C[C@@H](C)NCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000361027132 404883937 /nfs/dbraw/zinc/88/39/37/404883937.db2.gz KMUXLXBDSFUMGU-RKDXNWHRSA-N 0 3 304.293 2.445 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@H](C)NC[C@H]1C ZINC000415478690 404867875 /nfs/dbraw/zinc/86/78/75/404867875.db2.gz DHCBUJUAFRNCHS-NWDGAFQWSA-N 0 3 306.366 2.426 20 5 DEBDHN Cc1ccc(NC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000378491735 404981587 /nfs/dbraw/zinc/98/15/87/404981587.db2.gz GMAZOBVPZOTACS-WFASDCNBSA-N 0 3 318.377 2.461 20 5 DEBDHN Cn1cnc(CCN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000417313292 405085764 /nfs/dbraw/zinc/08/57/64/405085764.db2.gz VSQQDWVMESUOCB-HNNXBMFYSA-N 0 3 315.377 2.323 20 5 DEBDHN CN(C)C(=O)CCN[C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417340078 405087141 /nfs/dbraw/zinc/08/71/41/405087141.db2.gz LXKIQFXLLIHLNX-HNNXBMFYSA-N 0 3 305.378 2.430 20 5 DEBDHN O=[N+]([O-])c1cc(Cl)cc(Cl)c1NC[C@H]1CNCCO1 ZINC000420270981 405304119 /nfs/dbraw/zinc/30/41/19/405304119.db2.gz BBQYXDRYOUMPPZ-MRVPVSSYSA-N 0 3 306.149 2.302 20 5 DEBDHN COCC[C@]1(NC/C=C\c2ccccc2[N+](=O)[O-])CCOC1 ZINC000447091950 405402090 /nfs/dbraw/zinc/40/20/90/405402090.db2.gz WNWHDSMZNQIZTO-LEXSJLIMSA-N 0 3 306.362 2.393 20 5 DEBDHN CN(C[C@H]1CCCN1C)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000421235017 405458857 /nfs/dbraw/zinc/45/88/57/405458857.db2.gz GOZWNLPPCXOXSY-LLVKDONJSA-N 0 3 310.329 2.292 20 5 DEBDHN COc1c(C(=O)NC(C)(C)CN2CCCC2)cccc1[N+](=O)[O-] ZINC000457053169 405672663 /nfs/dbraw/zinc/67/26/63/405672663.db2.gz OUXXEPFWIMKMSB-UHFFFAOYSA-N 0 3 321.377 2.208 20 5 DEBDHN Cc1cccc(C(=O)N(C)[C@H]2CCN(C(C)C)C2)c1[N+](=O)[O-] ZINC000457136272 405719107 /nfs/dbraw/zinc/71/91/07/405719107.db2.gz WTSOCQZQZODWRB-ZDUSSCGKSA-N 0 3 305.378 2.458 20 5 DEBDHN Cc1ccc([C@H](C)NC(=O)[C@@H]2C[C@H](C)CCN2)cc1[N+](=O)[O-] ZINC000423280183 405748455 /nfs/dbraw/zinc/74/84/55/405748455.db2.gz SKMRMFKJUDJJJW-OSMZGAPFSA-N 0 3 305.378 2.469 20 5 DEBDHN CC(C)(C)N1CCCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000531385294 405952294 /nfs/dbraw/zinc/95/22/94/405952294.db2.gz ZYEBFNAIYXLRJZ-UHFFFAOYSA-N 0 3 320.393 2.123 20 5 DEBDHN CCOC[C@H](O)CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433239972 405904636 /nfs/dbraw/zinc/90/46/36/405904636.db2.gz JWAYQNDEODWWOW-DOMZBBRYSA-N 0 3 308.378 2.304 20 5 DEBDHN CC[C@H]1CN(CCNC/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000487207514 406216066 /nfs/dbraw/zinc/21/60/66/406216066.db2.gz FVPHZWRCLDJFCX-YERXGYGTSA-N 0 3 319.405 2.308 20 5 DEBDHN C[C@H](CNC[C@@H](O)COc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000569716526 406294113 /nfs/dbraw/zinc/29/41/13/406294113.db2.gz OYJAWVPWUNLXAF-NXEZZACHSA-N 0 3 322.283 2.123 20 5 DEBDHN C[C@H](CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)N(C)C1CC1 ZINC000570376739 406384172 /nfs/dbraw/zinc/38/41/72/406384172.db2.gz NDPPDUDPPKLPTM-NEPJUHHUSA-N 0 3 305.378 2.297 20 5 DEBDHN CCOc1cc(CN2C[C@@H]3CC[C@H](O)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000491611953 406631489 /nfs/dbraw/zinc/63/14/89/406631489.db2.gz FFZKXGBERQODEN-YDHLFZDLSA-N 0 3 306.362 2.196 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NCCN2CC[C@H](C)C2)c1 ZINC000549067335 406574699 /nfs/dbraw/zinc/57/46/99/406574699.db2.gz LQJMNEJBZZZJHJ-LBPRGKRZSA-N 0 3 321.377 2.065 20 5 DEBDHN CN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C2CC2)C1 ZINC000491686868 406668992 /nfs/dbraw/zinc/66/89/92/406668992.db2.gz SZLAPZQJKWBZNM-SGNXQUTQSA-N 0 3 315.373 2.303 20 5 DEBDHN CN(C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccc(F)cc1 ZINC000290562688 221746315 /nfs/dbraw/zinc/74/63/15/221746315.db2.gz PKARWIAYSWOAEY-ZDUSSCGKSA-N 0 3 320.324 2.095 20 5 DEBDHN Cc1ccc([C@@H](C)N[C@@H]2CCCN(CCCO)C2)cc1[N+](=O)[O-] ZINC000297397667 227115799 /nfs/dbraw/zinc/11/57/99/227115799.db2.gz SHNFOZLQIYTXMJ-GDBMZVCRSA-N 0 3 321.421 2.401 20 5 DEBDHN O=C1CC[C@@H](N[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CN1 ZINC000417313609 229006860 /nfs/dbraw/zinc/00/68/60/229006860.db2.gz POHBAGUEXLZGKX-IUODEOHRSA-N 0 3 303.362 2.231 20 5 DEBDHN CCN1CCC(Nc2ccc([N+](=O)[O-])c(OC(C)C)n2)CC1 ZINC000572303688 424934560 /nfs/dbraw/zinc/93/45/60/424934560.db2.gz STRARWWAHIWQNM-UHFFFAOYSA-N 0 3 308.382 2.673 20 5 DEBDHN CCCN1CC[C@@H](Nc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000596516823 425026109 /nfs/dbraw/zinc/02/61/09/425026109.db2.gz HSTADTOLUWRZPC-CYBMUJFWSA-N 0 3 300.362 3.039 20 5 DEBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCc1cnnn1C ZINC000287219610 268788235 /nfs/dbraw/zinc/78/82/35/268788235.db2.gz FYWHIIHDIDRHLU-LLVKDONJSA-N 0 3 321.406 2.384 20 5 DEBDHN CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC(C)[N+](=O)[O-] ZINC000496775393 269250733 /nfs/dbraw/zinc/25/07/33/269250733.db2.gz TYMUURQPSZQREI-AXFHLTTASA-N 0 3 318.370 2.134 20 5 DEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](CN2CCOC2=O)C1 ZINC000496952274 269270171 /nfs/dbraw/zinc/27/01/71/269270171.db2.gz ZIUMSODEYNBDPS-CHWSQXEVSA-N 0 3 319.361 2.430 20 5 DEBDHN COc1cc(N2CC[C@H]3CC[C@@H](C2)N3C)c(F)cc1[N+](=O)[O-] ZINC000271098641 274096962 /nfs/dbraw/zinc/09/69/62/274096962.db2.gz OCJXPDOCPFKTIX-MNOVXSKESA-N 0 3 309.341 2.415 20 5 DEBDHN O=C1CCc2cc([N+](=O)[O-])c(N[C@@H]3CCN(C4CC4)C3)cc2N1 ZINC000336872806 275018618 /nfs/dbraw/zinc/01/86/18/275018618.db2.gz PXDUFYNWKXAQCY-LLVKDONJSA-N 0 3 316.361 2.128 20 5 DEBDHN O=[N+]([O-])c1ccc(CCN2CCS[C@@H]3COCC[C@H]32)cc1 ZINC000247271243 275035153 /nfs/dbraw/zinc/03/51/53/275035153.db2.gz SGMHYDFPFDKDFH-HUUCEWRRSA-N 0 3 308.403 2.344 20 5 DEBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000055400486 278190772 /nfs/dbraw/zinc/19/07/72/278190772.db2.gz ZCOOZKGLZPLYAU-QWHCGFSZSA-N 0 3 305.378 2.445 20 5 DEBDHN C[C@@H]1C[C@H]1N1CCN(c2ccc([N+](=O)[O-])c(N)c2F)C[C@@H](C)C1 ZINC000488717601 279008232 /nfs/dbraw/zinc/00/82/32/279008232.db2.gz FAZRINLMFNXNIT-JTNHKYCSSA-N 0 3 322.384 2.483 20 5 DEBDHN C[C@]1(F)CNCCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000420258374 280164394 /nfs/dbraw/zinc/16/43/94/280164394.db2.gz GEKFGDYDJXNBBF-NSHDSACASA-N 0 3 322.262 2.146 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1N1CCN(C[C@H]2CCOC2)CC1 ZINC000176950901 281259841 /nfs/dbraw/zinc/25/98/41/281259841.db2.gz SLQQLGHCSPEFSI-CQSZACIVSA-N 0 3 305.378 2.062 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H](C)CCS(C)(=O)=O ZINC000127285411 281854374 /nfs/dbraw/zinc/85/43/74/281854374.db2.gz PZUJCWCQTNCPCZ-NWDGAFQWSA-N 0 3 314.407 2.377 20 5 DEBDHN CN(C)CCN(Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCO1 ZINC000349048614 289145613 /nfs/dbraw/zinc/14/56/13/289145613.db2.gz ZERRCFRZLDXPRP-MRXNPFEDSA-N 0 3 307.394 2.137 20 5 DEBDHN CN1CC[C@@H]2OCCN(c3ccc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000284565062 290170184 /nfs/dbraw/zinc/17/01/84/290170184.db2.gz NUCDFAOURREROT-KBPBESRZSA-N 0 3 311.769 2.158 20 5 DEBDHN Cc1cnc(N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000488718532 302351268 /nfs/dbraw/zinc/35/12/68/302351268.db2.gz HGKZYWCETGNKFS-BFHYXJOUSA-N 0 3 304.394 2.465 20 5 DEBDHN C[C@@H](C(=O)NCC1=CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000575229942 326230128 /nfs/dbraw/zinc/23/01/28/326230128.db2.gz YOVFBKOQETUCQW-GFCCVEGCSA-N 0 3 303.362 2.076 20 5 DEBDHN COC[C@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])[C@H]1CCCO1 ZINC000580345569 335123125 /nfs/dbraw/zinc/12/31/25/335123125.db2.gz LWAMYVNKHNMLDC-IJEWVQPXSA-N 0 3 306.362 2.366 20 5 DEBDHN C[C@H](NCCNc1ccccn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294966916 533859010 /nfs/dbraw/zinc/85/90/10/533859010.db2.gz ZFZSLASFLGKNJU-NSHDSACASA-N 0 3 301.350 2.335 20 5 DEBDHN C[C@H](NC[C@H](O)COCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000292875137 533900400 /nfs/dbraw/zinc/90/04/00/533900400.db2.gz HYSLKJCPVNEBLJ-CABZTGNLSA-N 0 3 322.283 2.185 20 5 DEBDHN C[C@@H]1CC[C@@H](CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)O1 ZINC000249152500 524591787 /nfs/dbraw/zinc/59/17/87/524591787.db2.gz XZPFYALMTNRBOJ-BZPMIXESSA-N 0 3 306.366 2.044 20 5 DEBDHN CC(C)Oc1cc(C(=O)NC[C@@H](C)N(C)C)ccc1[N+](=O)[O-] ZINC000411377239 528102400 /nfs/dbraw/zinc/10/24/00/528102400.db2.gz WMOBXEMHKSGBOM-LLVKDONJSA-N 0 3 309.366 2.062 20 5 DEBDHN CCN1CCN(C[C@@H](C)CNc2sccc2[N+](=O)[O-])CC1 ZINC000302008977 529147178 /nfs/dbraw/zinc/14/71/78/529147178.db2.gz XLXNVPYTKOFRIR-LBPRGKRZSA-N 0 3 312.439 2.342 20 5 DEBDHN CCO[C@@H]1C[C@H](N[C@@H](C)Cc2ccccc2[N+](=O)[O-])[C@H]1OC ZINC000449245001 535513652 /nfs/dbraw/zinc/51/36/52/535513652.db2.gz XOWAVTZRUPTGOL-DDUYRFODSA-N 0 3 308.378 2.308 20 5 DEBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)CN(C)C ZINC000346176822 536135085 /nfs/dbraw/zinc/13/50/85/536135085.db2.gz ZXIIPPQJZRLTKZ-TZMCWYRMSA-N 0 3 307.394 2.230 20 5 DEBDHN O=[N+]([O-])c1cccc(-c2noc([C@@H]3CN4CCC[C@H]4CO3)n2)c1 ZINC000923774594 625472293 /nfs/dbraw/zinc/47/22/93/625472293.db2.gz ZWKGNKLXWZGOMU-STQMWFEESA-N 0 3 316.317 2.181 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@]1(C)CN2CCC1CC2 ZINC000892766828 625569550 /nfs/dbraw/zinc/56/95/50/625569550.db2.gz ORHWJFAEJRQOGT-KRWDZBQOSA-N 0 3 317.389 2.426 20 5 DEBDHN CCc1ccc(C(=O)N[C@]2(C)CN3CCC2CC3)cc1[N+](=O)[O-] ZINC000892778439 625598819 /nfs/dbraw/zinc/59/88/19/625598819.db2.gz KYLPJPBZHBFNOR-QGZVFWFLSA-N 0 3 317.389 2.371 20 5 DEBDHN O=C1OCCN1CCCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000892872691 625678563 /nfs/dbraw/zinc/67/85/63/625678563.db2.gz WTQSQYMWKKTRNM-UHFFFAOYSA-N 0 3 313.741 2.180 20 5 DEBDHN Cn1ncc([N+](=O)[O-])c1N1CCCN(Cc2ccccc2)CC1 ZINC000891620557 624498325 /nfs/dbraw/zinc/49/83/25/624498325.db2.gz DDQYHKODEXSWSG-UHFFFAOYSA-N 0 3 315.377 2.041 20 5 DEBDHN CN(C)[C@H](CNc1c([N+](=O)[O-])cnn1C)c1ccc(F)cc1 ZINC000891904175 624655191 /nfs/dbraw/zinc/65/51/91/624655191.db2.gz DTYHPNMSPOYUOF-GFCCVEGCSA-N 0 3 307.329 2.182 20 5 DEBDHN O=[N+]([O-])c1cc(Cl)ccc1CNC[C@H](O)C1CCOCC1 ZINC000892959946 625806987 /nfs/dbraw/zinc/80/69/87/625806987.db2.gz QKIPPWIVMMTWEF-AWEZNQCLSA-N 0 3 314.769 2.125 20 5 DEBDHN Cc1c(NC(=O)N2CC[C@H]3CN(C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000929221812 633617930 /nfs/dbraw/zinc/61/79/30/633617930.db2.gz WMXYOIWBZCSQKZ-FZMZJTMJSA-N 0 3 304.350 2.071 20 5 DEBDHN Cc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCN2C)cc1Cl ZINC000836698599 650122452 /nfs/dbraw/zinc/12/24/52/650122452.db2.gz PLRUOLMJYVOVSS-SNVBAGLBSA-N 0 3 311.769 2.381 20 5 DEBDHN CN1C[C@@H](CCNCc2ccc([N+](=O)[O-])cc2Cl)CC1=O ZINC000922486058 636197484 /nfs/dbraw/zinc/19/74/84/636197484.db2.gz FXLFXRFWIKSNTB-JTQLQIEISA-N 0 3 311.769 2.206 20 5 DEBDHN COc1c([O-])ccc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H]2C)c1[N+](=O)[O-] ZINC000894911392 637326485 /nfs/dbraw/zinc/32/64/85/637326485.db2.gz WZNIOLBRLHZAPR-FOGDFJRCSA-N 0 3 310.350 2.212 20 5 DEBDHN Cc1cccc(CN2CC[C@@H](Nc3c([N+](=O)[O-])cnn3C)C2)c1 ZINC000894978573 637355909 /nfs/dbraw/zinc/35/59/09/637355909.db2.gz ZDRVJZBGIYPAPE-CQSZACIVSA-N 0 3 315.377 2.323 20 5 DEBDHN CCN1[C@H](C)CN(c2ncnc3cccc([N+](=O)[O-])c32)C[C@@H]1C ZINC000895099714 637557863 /nfs/dbraw/zinc/55/78/63/637557863.db2.gz KWZHAUWWSWIQQQ-TXEJJXNPSA-N 0 3 315.377 2.457 20 5 DEBDHN CCO[C@@H](CNc1ccc(C(C)=O)cc1[N+](=O)[O-])CN(C)C ZINC000896114691 638360539 /nfs/dbraw/zinc/36/05/39/638360539.db2.gz CRZGVFYSBXIGID-ZDUSSCGKSA-N 0 3 309.366 2.176 20 5 DEBDHN C[C@](CO)(NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000750067790 638707840 /nfs/dbraw/zinc/70/78/40/638707840.db2.gz RTURWZDPTGFTST-DLBZAZTESA-N 0 3 316.357 2.126 20 5 DEBDHN Cc1cc(F)cc(C(=O)NCCN2CC[C@H](C)C2)c1[N+](=O)[O-] ZINC000758506311 639966276 /nfs/dbraw/zinc/96/62/76/639966276.db2.gz XBFOSNILFUMQHT-JTQLQIEISA-N 0 3 309.341 2.114 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NCCN2CCC[C@H]2C)c1C ZINC000897428206 640198970 /nfs/dbraw/zinc/19/89/70/640198970.db2.gz WKXSQZREAMOVHD-GFCCVEGCSA-N 0 3 305.378 2.426 20 5 DEBDHN O=[N+]([O-])c1ccc(CNCCOC[C@@H]2CCOC2)cc1Cl ZINC000761522365 640320900 /nfs/dbraw/zinc/32/09/00/640320900.db2.gz YIRSQWAIVLHTFM-GFCCVEGCSA-N 0 3 314.769 2.391 20 5 DEBDHN CC(=O)c1c([N+](=O)[O-])cccc1N1CC[C@H](N2CCCC2)C1 ZINC000763202499 640515220 /nfs/dbraw/zinc/51/52/20/640515220.db2.gz CAHSXFRNOWIFHD-ZDUSSCGKSA-N 0 3 303.362 2.472 20 5 DEBDHN COC(=O)C[C@]1(NCc2ccc(C)c([N+](=O)[O-])c2)CCCOC1 ZINC000770674429 641406913 /nfs/dbraw/zinc/40/69/13/641406913.db2.gz BZPDDQMRIXLSEG-MRXNPFEDSA-N 0 3 322.361 2.105 20 5 DEBDHN CN(CCO)CCNC(=O)c1cc2ccccc2c2cccnc12 ZINC000899732109 642150895 /nfs/dbraw/zinc/15/08/95/642150895.db2.gz VGPLEWOVTMKKDC-UHFFFAOYSA-N 0 3 323.396 2.042 20 5 DEBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC(c3cn[nH]c3)CC2)cc1 ZINC000776274026 642151871 /nfs/dbraw/zinc/15/18/71/642151871.db2.gz BFPNTQYDKBCBNW-INIZCTEOSA-N 0 3 316.361 2.231 20 5 DEBDHN Cc1ccc([C@H](C)[NH2+]C2CCN(CC(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000902397826 643029184 /nfs/dbraw/zinc/02/91/84/643029184.db2.gz XPUKGTIZDRSXGX-LBPRGKRZSA-N 0 3 321.377 2.103 20 5 DEBDHN COc1cc([C@H](C)N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cc([N+](=O)[O-])c1 ZINC000903283755 643305289 /nfs/dbraw/zinc/30/52/89/643305289.db2.gz MRUVQSYYTDBJJN-WCXDRXCPSA-N 0 3 304.346 2.430 20 5 DEBDHN O=C(COc1ccc([N+](=O)[O-])cc1)OCCN1CCCCC1 ZINC000789982088 643799355 /nfs/dbraw/zinc/79/93/55/643799355.db2.gz GSJFFXNOGSWZLV-UHFFFAOYSA-N 0 3 308.334 2.003 20 5 DEBDHN CC(C)(CCc1noc([C@@H]2CNCc3ccccc32)n1)[N+](=O)[O-] ZINC000843232762 650935163 /nfs/dbraw/zinc/93/51/63/650935163.db2.gz BPEASOMQWFRCOS-CYBMUJFWSA-N 0 3 316.361 2.293 20 5 DEBDHN CCN1CCCN(C(=O)c2cccc(OC)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000910278725 645384775 /nfs/dbraw/zinc/38/47/75/645384775.db2.gz GRRKUEIKDGOLCO-LBPRGKRZSA-N 0 3 321.377 2.160 20 5 DEBDHN CCN1CCCN(C(=O)c2c(C)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000910278276 645384839 /nfs/dbraw/zinc/38/48/39/645384839.db2.gz CRFLFMIHUYQKLT-CYBMUJFWSA-N 0 3 305.378 2.460 20 5 DEBDHN CCN1CCCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)[C@@H](C)C1 ZINC000910282723 645388469 /nfs/dbraw/zinc/38/84/69/645388469.db2.gz GTWCZIUENWJZAK-LBPRGKRZSA-N 0 3 320.393 2.042 20 5 DEBDHN O=[N+]([O-])c1cccc([N+](=O)[O-])c1N[C@H]1CCN(CC2CC2)C1 ZINC000804441830 645771364 /nfs/dbraw/zinc/77/13/64/645771364.db2.gz KLSVOEHOGFQJDN-NSHDSACASA-N 0 3 306.322 2.399 20 5 DEBDHN CC[C@H]1CN(C)CCN1Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000840092709 645945356 /nfs/dbraw/zinc/94/53/56/645945356.db2.gz WVVFMGZFXYUQRO-ZDUSSCGKSA-N 0 3 317.393 2.236 20 5 DEBDHN CC(COC(=O)COc1ccc(C(F)(F)F)cc1)[N+](=O)[O-] ZINC000813101807 646728731 /nfs/dbraw/zinc/72/87/31/646728731.db2.gz JDLNKBSXQCIMMZ-QMMMGPOBSA-N 0 3 307.224 2.293 20 5 DEBDHN CC(COC(=O)C1(c2cccc(F)c2)CCOCC1)[N+](=O)[O-] ZINC000813104754 646729303 /nfs/dbraw/zinc/72/93/03/646729303.db2.gz RCKZGHDQFKKCTJ-LLVKDONJSA-N 0 3 311.309 2.082 20 5 DEBDHN COc1ccc(C(C)(C)C(=O)OCC(C)[N+](=O)[O-])cc1OC ZINC000813110571 646731412 /nfs/dbraw/zinc/73/14/12/646731412.db2.gz DQVOUQAENZLUEU-JTQLQIEISA-N 0 3 311.334 2.190 20 5 DEBDHN CCn1ncc(C(=O)OCC(C)[N+](=O)[O-])c1-c1ccccc1 ZINC000813111243 646731465 /nfs/dbraw/zinc/73/14/65/646731465.db2.gz DPKNFUNKBBHADG-LLVKDONJSA-N 0 3 303.318 2.392 20 5 DEBDHN CC(COC(=O)c1cc2c(C(F)F)nn(C)c2s1)[N+](=O)[O-] ZINC000813114167 646732121 /nfs/dbraw/zinc/73/21/21/646732121.db2.gz ZKCHJOYBVUHFDO-RXMQYKEDSA-N 0 3 319.289 2.394 20 5 DEBDHN COc1cc(CN[C@H]2COC[C@H]2C2CC2)c([N+](=O)[O-])cc1OC ZINC000914432596 647356561 /nfs/dbraw/zinc/35/65/61/647356561.db2.gz ADLQTZGYWGCJEE-STQMWFEESA-N 0 3 322.361 2.127 20 5 DEBDHN Cc1cc(F)cc(C(=O)N2CCC[C@H]3CN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000819719227 647715555 /nfs/dbraw/zinc/71/55/55/647715555.db2.gz PPJWEJUZLYDYKI-SMDDNHRTSA-N 0 3 321.352 2.209 20 5 DEBDHN C[C@@H]1[C@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CCN1C ZINC000925335375 648319170 /nfs/dbraw/zinc/31/91/70/648319170.db2.gz MVUQQYXBDYUCKY-DGCLKSJQSA-N 0 3 320.393 2.222 20 5 DEBDHN CN1CC[C@@H]2CN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])C[C@@H]21 ZINC000834310468 649779663 /nfs/dbraw/zinc/77/96/63/649779663.db2.gz NNFBVRMBKVBBJB-SKDRFNHKSA-N 0 3 309.753 2.024 20 5 DEBDHN CC(C)(C)N1CC[C@@H]1COC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000845738457 651276431 /nfs/dbraw/zinc/27/64/31/651276431.db2.gz OIOOIEWBTBLMEV-LLVKDONJSA-N 0 3 307.350 2.207 20 5 DEBDHN CC([C@@H](OC(=O)Cc1ccn(C)n1)c1ccccc1F)[N+](=O)[O-] ZINC000845878179 651291560 /nfs/dbraw/zinc/29/15/60/651291560.db2.gz RNVLGOCUCRLYQV-ZUZCIYMTSA-N 0 3 321.308 2.051 20 5 DEBDHN CC([C@H](OC(=O)CCn1cccn1)c1ccccc1F)[N+](=O)[O-] ZINC000845877347 651291661 /nfs/dbraw/zinc/29/16/61/651291661.db2.gz REQGSSWTAJNQSN-ABAIWWIYSA-N 0 3 321.308 2.362 20 5 DEBDHN Cc1cn(C)nc1C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845882249 651291981 /nfs/dbraw/zinc/29/19/81/651291981.db2.gz RUPHUSREFURULL-YGRLFVJLSA-N 0 3 321.308 2.431 20 5 DEBDHN O=C1CC[C@@H](CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)O1 ZINC000851790880 652238503 /nfs/dbraw/zinc/23/85/03/652238503.db2.gz QMBIMJKSCIVNNO-HNNXBMFYSA-N 0 3 320.345 2.144 20 5 DEBDHN CSc1cccc(C(=O)N[C@@H]2CCN(C)[C@@H]2C)c1[N+](=O)[O-] ZINC000928436088 693779077 /nfs/dbraw/zinc/77/90/77/693779077.db2.gz IMMXTCZJGGNPDS-MWLCHTKSSA-N 0 3 309.391 2.139 20 5 DEBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])c(C)n1[C@@H]1CCCOC1 ZINC000860777802 685960101 /nfs/dbraw/zinc/96/01/01/685960101.db2.gz WLSOYTWIRYHVAA-WCQYABFASA-N 0 3 310.350 2.278 20 5 DEBDHN CC[C@@H](C)N1CCN(c2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865859763 687358122 /nfs/dbraw/zinc/35/81/22/687358122.db2.gz QDPCHTCAQTUONP-LLVKDONJSA-N 0 3 311.357 2.147 20 5 DEBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1c2ccccc2[C@H](N)C1(C)C ZINC000867992120 687865827 /nfs/dbraw/zinc/86/58/27/687865827.db2.gz WSIPVVCGAFQYEA-AWEZNQCLSA-N 0 3 314.345 2.372 20 5 DEBDHN O=C(N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1)c1ccoc1 ZINC001019986950 688435557 /nfs/dbraw/zinc/43/55/57/688435557.db2.gz GKFHVIGUHLPXTC-HDJSIYSDSA-N 0 3 315.329 2.238 20 5 DEBDHN COC[C@@H](CN1CCN(c2ncccc2[N+](=O)[O-])CC1)C(C)C ZINC000930680606 694216735 /nfs/dbraw/zinc/21/67/35/694216735.db2.gz KGLBMNJULOWECU-CQSZACIVSA-N 0 3 322.409 2.030 20 5 DEBDHN CN1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CCC1(C)C ZINC000871149647 688735949 /nfs/dbraw/zinc/73/59/49/688735949.db2.gz GVKQEUZLIUTZLE-UHFFFAOYSA-N 0 3 309.341 2.290 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@]12CCC[C@H]1OCC2 ZINC000872312782 688980608 /nfs/dbraw/zinc/98/06/08/688980608.db2.gz DLCLRPARMDVPPO-ZBFHGGJFSA-N 0 3 319.361 2.143 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000930861242 694257089 /nfs/dbraw/zinc/25/70/89/694257089.db2.gz BWSONVWZPHJQLQ-WFASDCNBSA-N 0 3 318.377 2.379 20 5 DEBDHN CN1CCC[C@@H]2[C@@H]1CCN2c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000872778441 689090739 /nfs/dbraw/zinc/09/07/39/689090739.db2.gz HXDHRHZFJHPZJG-NWDGAFQWSA-N 0 3 306.322 2.176 20 5 DEBDHN COC(=O)N1CCC[C@H](NCc2cccc([N+](=O)[O-])c2C)C1 ZINC000873034948 689145342 /nfs/dbraw/zinc/14/53/42/689145342.db2.gz DBKOXXYIWONYHU-ZDUSSCGKSA-N 0 3 307.350 2.224 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNCCOC[C@H]1CCOC1 ZINC000873048956 689148705 /nfs/dbraw/zinc/14/87/05/689148705.db2.gz SUUCLAPEZGESHO-AWEZNQCLSA-N 0 3 308.378 2.354 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNCCOC[C@@H]1CCCO1 ZINC000873050931 689148733 /nfs/dbraw/zinc/14/87/33/689148733.db2.gz XCEBYTHNGIGCNP-AWEZNQCLSA-N 0 3 308.378 2.497 20 5 DEBDHN COC(=O)[C@]12C[C@H]1C[C@H](NCc1ccc(OC)c([N+](=O)[O-])c1)C2 ZINC000877724235 690205663 /nfs/dbraw/zinc/20/56/63/690205663.db2.gz NKEFTBBJUMBFPC-WQGACYEGSA-N 0 3 320.345 2.035 20 5 DEBDHN CCN1[C@H](C)CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000878837368 690510334 /nfs/dbraw/zinc/51/03/34/690510334.db2.gz XSTSDMSVMQGORY-ZENOOKHLSA-N 0 3 307.394 2.043 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCCN1CCC[C@H]1C ZINC000879537310 690664949 /nfs/dbraw/zinc/66/49/49/690664949.db2.gz XQHILNMMRHEGOL-GFCCVEGCSA-N 0 3 305.378 2.426 20 5 DEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000931495351 694412854 /nfs/dbraw/zinc/41/28/54/694412854.db2.gz JGHXLZLDNUNTRW-IUODEOHRSA-N 0 3 318.377 2.325 20 5 DEBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(CCCCCO)CC1 ZINC000931500999 694413452 /nfs/dbraw/zinc/41/34/52/694413452.db2.gz ROHACGCFHDNMHR-HNNXBMFYSA-N 0 3 321.421 2.436 20 5 DEBDHN O=C1C[C@H](NC/C=C/c2ccccc2[N+](=O)[O-])CN1CC1CC1 ZINC000883403891 691499555 /nfs/dbraw/zinc/49/95/55/691499555.db2.gz ICIUQGRSPFVGPV-UJAVWCLSSA-N 0 3 315.373 2.209 20 5 DEBDHN COC(=O)C[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000932109245 694549886 /nfs/dbraw/zinc/54/98/86/694549886.db2.gz MXQDGBXMDUWNLK-CHWSQXEVSA-N 0 3 322.361 2.105 20 5 DEBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@@H](Cc3nccs3)C2)n1 ZINC000932201956 694572860 /nfs/dbraw/zinc/57/28/60/694572860.db2.gz RRPZSRHJHQBWCI-LBPRGKRZSA-N 0 3 321.406 2.203 20 5 DEBDHN COc1c([O-])ccc(C[NH2+]C2(C3CC3)CCOCC2)c1[N+](=O)[O-] ZINC001334986119 1150363020 /nfs/dbraw/zinc/36/30/20/1150363020.db2.gz VKESCTOLZKRVMG-UHFFFAOYSA-N 0 3 322.361 2.358 20 5 DEBDHN COC[C@H](C[NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-])C(C)C ZINC001355359253 1152006101 /nfs/dbraw/zinc/00/61/01/1152006101.db2.gz OHYMBJTVKNVBKG-LBPRGKRZSA-N 0 3 312.366 2.317 20 5 DEBDHN C[C@@H]1CN(c2cc(/C=C/N(C)C)c([N+](=O)[O-])cn2)[C@@H](C)CN1C ZINC001164634077 719232401 /nfs/dbraw/zinc/23/24/01/719232401.db2.gz FNDVQKPHIAZHCB-VWWYUBIBSA-N 0 3 319.409 2.051 20 5 DEBDHN CC(C)CC[C@@H](N)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001333336018 1150035563 /nfs/dbraw/zinc/03/55/63/1150035563.db2.gz KUNYAVMGCXQXPZ-OAHLLOKOSA-N 0 3 305.378 2.243 20 5 DEBDHN C[C@H]1COC[C@H]1NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000699859718 782971136 /nfs/dbraw/zinc/97/11/36/782971136.db2.gz CMXQVBPXEVEETO-GZMMTYOYSA-N 0 3 315.167 2.482 20 5 DEBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2CCN(Cc3ccccc3)CC2)C1 ZINC001169012685 785003316 /nfs/dbraw/zinc/00/33/16/785003316.db2.gz RPUOGTAYQHFTJG-DLBZAZTESA-N 0 3 303.406 2.250 20 5 DEBDHN COc1ccc(C[C@H](C)NCc2nccnc2C)c([N+](=O)[O-])c1 ZINC001170323441 786909046 /nfs/dbraw/zinc/90/90/46/786909046.db2.gz KFNFARFNDHDLDE-NSHDSACASA-N 0 3 316.361 2.423 20 5 DEBDHN COc1ccc(C[C@H](C)N2CCC[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC001170328283 786910287 /nfs/dbraw/zinc/91/02/87/786910287.db2.gz ITENQDXJBWRBPO-STQMWFEESA-N 0 3 308.378 2.239 20 5 DEBDHN COc1ccc(C[C@H](C)n2ncc3c2CCNC3)c([N+](=O)[O-])c1 ZINC001170335437 786913862 /nfs/dbraw/zinc/91/38/62/786913862.db2.gz NOBDREAPQCATFD-NSHDSACASA-N 0 3 316.361 2.249 20 5 DEBDHN C[C@@H](Nc1cc(C(F)(F)F)ccc1[N+](=O)[O-])[C@H]1CNCCO1 ZINC001170567487 787642408 /nfs/dbraw/zinc/64/24/08/787642408.db2.gz JZTJSMSOIULCST-PRHODGIISA-N 0 3 319.283 2.402 20 5 DEBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)[nH]1 ZINC001133501159 788455823 /nfs/dbraw/zinc/45/58/23/788455823.db2.gz SSDXEHYWCQGTLC-UHFFFAOYSA-N 0 3 322.752 2.096 20 5 DEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCCC(F)F)cc1 ZINC001120276891 795433543 /nfs/dbraw/zinc/43/35/43/795433543.db2.gz BRYLGOGHVKJCCO-UHFFFAOYSA-N 0 3 322.333 2.003 20 5 DEBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1cc(Cl)c[nH]1 ZINC001123466682 795917999 /nfs/dbraw/zinc/91/79/99/795917999.db2.gz NEYZUBCWCLKQPU-UHFFFAOYSA-N 0 3 322.752 2.096 20 5 DEBDHN COc1ncc([N+](=O)[O-])cc1-n1c2ccccc2nc1[C@@H](C)N ZINC001162765392 799168814 /nfs/dbraw/zinc/16/88/14/799168814.db2.gz FQWNOJANTRWLDE-SECBINFHSA-N 0 3 313.317 2.357 20 5 DEBDHN Cc1coc(C(=O)NCCCNCc2csc([N+](=O)[O-])c2)c1 ZINC001164355045 799580625 /nfs/dbraw/zinc/58/06/25/799580625.db2.gz WDFLWZOSWJBRFQ-UHFFFAOYSA-N 0 3 323.374 2.467 20 5 DEBDHN C[C@@H]1CN(C)[C@@H](C)CN1c1cc(/C=C/N(C)C)c([N+](=O)[O-])cn1 ZINC001165448603 799733196 /nfs/dbraw/zinc/73/31/96/799733196.db2.gz FNDVQKPHIAZHCB-VFZNBBLXSA-N 0 3 319.409 2.051 20 5 DEBDHN C[C@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cncs1 ZINC000934205319 800290461 /nfs/dbraw/zinc/29/04/61/800290461.db2.gz ZBAVXUGLGBVWHE-CMPLNLGQSA-N 0 3 323.374 2.142 20 5 DEBDHN COC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1CCN(C(C)C)C1 ZINC001229057043 801216527 /nfs/dbraw/zinc/21/65/27/801216527.db2.gz ZZMBXOISTCUBKW-GFCCVEGCSA-N 0 3 308.334 2.243 20 5 DEBDHN CC(C)N1CC[C@H](Oc2n[nH]c(=O)c3cccc([N+](=O)[O-])c32)C1 ZINC001229367687 801264957 /nfs/dbraw/zinc/26/49/57/801264957.db2.gz QQZVUSMARUFXJA-JTQLQIEISA-N 0 3 318.333 2.105 20 5 DEBDHN CCOC(=O)Cc1ccc([N+](=O)[O-])c(O[C@@H]2CCN(CC)C2)c1 ZINC001234408794 802369998 /nfs/dbraw/zinc/36/99/98/802369998.db2.gz QFJBEBPAFVSCHF-CYBMUJFWSA-N 0 3 322.361 2.173 20 5 DEBDHN CCN1CCC[C@H](O[C@@H](C(=O)OC)c2ccccc2[N+](=O)[O-])C1 ZINC001223648074 802806181 /nfs/dbraw/zinc/80/61/81/802806181.db2.gz LVOYQYONEBORTC-SWLSCSKDSA-N 0 3 322.361 2.310 20 5 DEBDHN O=[N+]([O-])c1ccc(CO[C@@H]2CN3CCC2CC3)c([N+](=O)[O-])c1 ZINC001224097369 802835868 /nfs/dbraw/zinc/83/58/68/802835868.db2.gz TZWIWSXRRFHYJZ-CQSZACIVSA-N 0 3 307.306 2.114 20 5 DEBDHN CCN1CCC(Oc2nc(Cl)nc(C)c2[N+](=O)[O-])CC1 ZINC001227334157 803231160 /nfs/dbraw/zinc/23/11/60/803231160.db2.gz DADHFMKJAFKZDH-UHFFFAOYSA-N 0 3 300.746 2.210 20 5 DEBDHN O=C(OC[C@@H]1CCN1C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC001344367296 1150818818 /nfs/dbraw/zinc/81/88/18/1150818818.db2.gz DFXVDWOAAQMAGC-HNNXBMFYSA-N 0 3 320.345 2.005 20 5 DEBDHN C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603890046 1070138476 /nfs/dbraw/zinc/13/84/76/1070138476.db2.gz ADTCIFXTKSWPGY-CABZTGNLSA-N 0 3 302.338 2.053 20 5 DEBDHN C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603890046 1070138477 /nfs/dbraw/zinc/13/84/77/1070138477.db2.gz ADTCIFXTKSWPGY-CABZTGNLSA-N 0 3 302.338 2.053 20 5 DEBDHN COc1c(Br)cccc1C(=O)OCC(C)[N+](=O)[O-] ZINC001525758978 1070168785 /nfs/dbraw/zinc/16/87/85/1070168785.db2.gz FNIARNFKYBZMAH-SSDOTTSWSA-N 0 3 318.123 2.280 20 5 DEBDHN CCN1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC)C(C)(C)C1 ZINC001472056880 1060390910 /nfs/dbraw/zinc/39/09/10/1060390910.db2.gz LRMSIGDBCAQKGF-AWEZNQCLSA-N 0 3 321.377 2.064 20 5 DEBDHN COC(=O)N1CCC[C@H](NCc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC001473974512 1060784925 /nfs/dbraw/zinc/78/49/25/1060784925.db2.gz IUHRSWUZOCQBAR-ZDUSSCGKSA-N 0 3 307.350 2.224 20 5 DEBDHN C[C@H](NC1CC1)C(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001576239029 1066533044 /nfs/dbraw/zinc/53/30/44/1066533044.db2.gz KPYYTMBARUPDTN-VIFPVBQESA-N 0 3 300.318 2.222 20 5 DEBDHN CC(C)C[C@@H](N)C(=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 ZINC001573503527 1069022274 /nfs/dbraw/zinc/02/22/74/1069022274.db2.gz HKBWKNIEDOUTDW-CYBMUJFWSA-N 0 3 317.349 2.092 20 5 DEBDHN O=C(OC[C@@H]1CCN1C1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC001520059420 1069094583 /nfs/dbraw/zinc/09/45/83/1069094583.db2.gz CRPNUODTKPSMTQ-HNNXBMFYSA-N 0 3 320.345 2.005 20 5 DEBDHN CSCC[C@@H](N)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001521562405 1069252091 /nfs/dbraw/zinc/25/20/91/1069252091.db2.gz YOKRNEHIXKLZGR-CQSZACIVSA-N 0 3 323.418 2.166 20 5 DEBDHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)C1(F)CCCC1 ZINC001481248376 1079472948 /nfs/dbraw/zinc/47/29/48/1079472948.db2.gz LWINMVZLEGVLKC-UHFFFAOYSA-N 0 3 323.368 2.425 20 5 DEBDHN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC1(c2ccccc2)CNC1 ZINC001580494233 1075938059 /nfs/dbraw/zinc/93/80/59/1075938059.db2.gz QSWUJXDAERJBDF-DHZHZOJOSA-N 0 3 323.352 2.223 20 5 DEBDHN O=[N+]([O-])c1cc2c(ncnc2N[C@H]2CNCCC2(F)F)s1 ZINC001580874593 1076010472 /nfs/dbraw/zinc/01/04/72/1076010472.db2.gz CSSOZSNGJCSCHC-ZETCQYMHSA-N 0 3 315.305 2.009 20 5 DEBDHN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)n1 ZINC001585026149 1076335002 /nfs/dbraw/zinc/33/50/02/1076335002.db2.gz VAZQETOEBKFXKE-UKRRQHHQSA-N 0 3 318.377 2.045 20 5 DEBDHN Cc1ccc(NC(=O)C2(N(C)C)CCCC2)c(N)c1[N+](=O)[O-] ZINC001653217649 1079919324 /nfs/dbraw/zinc/91/93/24/1079919324.db2.gz IVLQYSIJKVJQJJ-UHFFFAOYSA-N 0 3 306.366 2.298 20 5 DEBDHN CC(C)c1ccc(CNC[C@@H](O)c2cnn(C)c2)cc1[N+](=O)[O-] ZINC001657322655 1080170459 /nfs/dbraw/zinc/17/04/59/1080170459.db2.gz JXDCUEKNXGGNIM-MRXNPFEDSA-N 0 3 318.377 2.275 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCC2(C1)OCCO2 ZINC001657667653 1080181398 /nfs/dbraw/zinc/18/13/98/1080181398.db2.gz LTFOGZYBNMXVCQ-CYBMUJFWSA-N 0 3 322.361 2.379 20 5 DEBDHN CC(C)N(C)CC(=O)NC/C=C/CNc1ccccc1[N+](=O)[O-] ZINC001107232677 1080687032 /nfs/dbraw/zinc/68/70/32/1080687032.db2.gz FGASZEMEQVGPLW-VOTSOKGWSA-N 0 3 320.393 2.019 20 5 DEBDHN O=[N+]([O-])c1cnc2ccc(F)cc2c1N[C@H]1CN2CCC1CC2 ZINC001337316188 1142729242 /nfs/dbraw/zinc/72/92/42/1142729242.db2.gz RMCQLBMOQKWFIE-AWEZNQCLSA-N 0 3 316.336 2.210 20 5 DEBDHN CN1CCCC[C@H]1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001337535275 1142765879 /nfs/dbraw/zinc/76/58/79/1142765879.db2.gz LQQZYMIMAWUWDM-LBPRGKRZSA-N 0 3 311.769 2.462 20 5 DEBDHN COC(=O)[C@@H]1CCCN([C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254550718 1143243508 /nfs/dbraw/zinc/24/35/08/1143243508.db2.gz PLQBRBSTLYLSCP-GXTWGEPZSA-N 0 3 306.362 2.411 20 5 DEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC2(CNC(=O)O2)CC1 ZINC001254560278 1143249309 /nfs/dbraw/zinc/24/93/09/1143249309.db2.gz RHJZNSHNDRDCDN-GFCCVEGCSA-N 0 3 319.361 2.100 20 5 DEBDHN CCOC(=O)C1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254595708 1143273081 /nfs/dbraw/zinc/27/30/81/1143273081.db2.gz YNINGCPCBPQPGG-INIZCTEOSA-N 0 3 318.373 2.337 20 5 DEBDHN C[C@@H]1CN[C@@H](C)[C@@H](C)N1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001342630965 1143827256 /nfs/dbraw/zinc/82/72/56/1143827256.db2.gz WSJLBADFPDZHOY-KXUCPTDWSA-N 0 3 311.769 2.459 20 5 DEBDHN CN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)CC(C)(C)C ZINC001262106710 1144290816 /nfs/dbraw/zinc/29/08/16/1144290816.db2.gz MQRDEIDSAUJCJR-UHFFFAOYSA-N 0 3 319.405 2.457 20 5 DEBDHN CN1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C(C)(C)C1 ZINC001303990438 1144819005 /nfs/dbraw/zinc/81/90/05/1144819005.db2.gz XYEUXMDJWRZLNM-GFCCVEGCSA-N 0 3 311.769 2.318 20 5 DEBDHN Cc1nc2n(n1)C[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1C)CC2 ZINC000160438891 282126833 /nfs/dbraw/zinc/12/68/33/282126833.db2.gz NCWUFZZQKMFZPJ-DGCLKSJQSA-N 0 3 315.377 2.469 20 5 DEBDHN Cc1cc(NCCCOCCO)c2cc([N+](=O)[O-])ccc2n1 ZINC000181539389 199313734 /nfs/dbraw/zinc/31/37/34/199313734.db2.gz ZSEKFVCZYGJHNF-UHFFFAOYSA-N 0 3 305.334 2.262 20 5 DEBDHN O=[N+]([O-])c1cc2c(cc1CN[C@@H]1CCC[C@H]1CCO)OCCO2 ZINC000614587624 362414616 /nfs/dbraw/zinc/41/46/16/362414616.db2.gz UNGCZTXXUJVEJD-WCQYABFASA-N 0 3 322.361 2.007 20 5 DEBDHN CC[C@H](N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000248641872 282520674 /nfs/dbraw/zinc/52/06/74/282520674.db2.gz ZNUAFOYGWKCYAA-TYNCELHUSA-N 0 3 321.377 2.469 20 5 DEBDHN Cc1cc(C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000272630015 210033427 /nfs/dbraw/zinc/03/34/27/210033427.db2.gz NBSWRTKLSOZVNI-DOMZBBRYSA-N 0 3 303.362 2.069 20 5 DEBDHN CN(C(=O)c1cccc(Cl)c1[N+](=O)[O-])C1CCN(C)CC1 ZINC000149077846 186047094 /nfs/dbraw/zinc/04/70/94/186047094.db2.gz CHMMSZFHIQVCGK-UHFFFAOYSA-N 0 3 311.769 2.414 20 5 DEBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C)C[C@H]1N(C)C ZINC000270508482 282701158 /nfs/dbraw/zinc/70/11/58/282701158.db2.gz QRBYQMMNMCLDCS-ZIAGYGMSSA-N 0 3 323.418 2.021 20 5 DEBDHN CS[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2C)C[C@H]1N(C)C ZINC000270457719 186395296 /nfs/dbraw/zinc/39/52/96/186395296.db2.gz KFQUCDZZPOMSDD-KGLIPLIRSA-N 0 3 323.418 2.021 20 5 DEBDHN CS[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1N(C)C ZINC000282994255 282745493 /nfs/dbraw/zinc/74/54/93/282745493.db2.gz FDCDOFHGRAQPKJ-ZIAGYGMSSA-N 0 3 313.398 2.211 20 5 DEBDHN CCc1ccc(C(=O)NC[C@H](C)N(C)C2CC2)cc1[N+](=O)[O-] ZINC000174179058 198302007 /nfs/dbraw/zinc/30/20/07/198302007.db2.gz HQLDPZFHXZESMM-NSHDSACASA-N 0 3 305.378 2.370 20 5 DEBDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000056999239 354552230 /nfs/dbraw/zinc/55/22/30/354552230.db2.gz SZIBQUQIDDTTSY-GRYCIOLGSA-N 0 3 309.366 2.284 20 5 DEBDHN Cc1c(C(=O)N2CCCC[C@H]2CN(C)C)cccc1[N+](=O)[O-] ZINC000066948303 354741409 /nfs/dbraw/zinc/74/14/09/354741409.db2.gz DMTMJBMKJRLFMM-ZDUSSCGKSA-N 0 3 305.378 2.460 20 5 DEBDHN CO[C@@H]1CCCC[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000276992606 213225346 /nfs/dbraw/zinc/22/53/46/213225346.db2.gz NGLOHGSOOXEXRI-LSDHHAIUSA-N 0 3 321.377 2.389 20 5 DEBDHN COc1c(C(=O)N(CCN(C)C)C(C)C)cccc1[N+](=O)[O-] ZINC000356485119 283068472 /nfs/dbraw/zinc/06/84/72/283068472.db2.gz IRQLJCSADZXOPL-UHFFFAOYSA-N 0 3 309.366 2.016 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCN1CCC(O)CC1 ZINC000581590124 357211673 /nfs/dbraw/zinc/21/16/73/357211673.db2.gz DAIDJRZKWVWVJP-ZDUSSCGKSA-N 0 3 307.394 2.011 20 5 DEBDHN CCOc1cc(CN[C@H](C)Cn2cccn2)ccc1[N+](=O)[O-] ZINC000276824159 213116707 /nfs/dbraw/zinc/11/67/07/213116707.db2.gz ACGQGTBXWUCTAB-GFCCVEGCSA-N 0 3 304.350 2.368 20 5 DEBDHN CC[C@@H](C)C[C@@H](CO)NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000592375068 357868717 /nfs/dbraw/zinc/86/87/17/357868717.db2.gz PWDKZJVRUXGHQV-YPMHNXCESA-N 0 3 324.377 2.253 20 5 DEBDHN C[C@@H](NCCN1C[C@@H](C)O[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000592992663 357983319 /nfs/dbraw/zinc/98/33/19/357983319.db2.gz AMBPSRMBECUTSR-MGPQQGTHSA-N 0 3 307.394 2.355 20 5 DEBDHN CN(CCOc1ccccc1[N+](=O)[O-])CCN1CCCCC1 ZINC000593111169 358012994 /nfs/dbraw/zinc/01/29/94/358012994.db2.gz DVQXZAJLUQQDNA-UHFFFAOYSA-N 0 3 307.394 2.391 20 5 DEBDHN CCN1C[C@H](CNCc2ccc([N+](=O)[O-])cc2Cl)CC1=O ZINC000593684720 358123160 /nfs/dbraw/zinc/12/31/60/358123160.db2.gz AAXTULHTPKFLOJ-JTQLQIEISA-N 0 3 311.769 2.206 20 5 DEBDHN COCC[C@@](C)(O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595009829 358377714 /nfs/dbraw/zinc/37/77/14/358377714.db2.gz SVEMDNUNNKHGCW-XHDPSFHLSA-N 0 3 312.366 2.042 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCn1ccnc1C ZINC000595014158 358378489 /nfs/dbraw/zinc/37/84/89/358378489.db2.gz LOGUZOOLRKWKQW-NSHDSACASA-N 0 3 304.350 2.459 20 5 DEBDHN CCO[C@@H]1COCC[C@H]1N[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595033723 358381125 /nfs/dbraw/zinc/38/11/25/358381125.db2.gz SOFCYEWLJMLDKA-SGIREYDYSA-N 0 3 324.377 2.448 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H]1CCOC[C@H]1OC ZINC000595040213 358382403 /nfs/dbraw/zinc/38/24/03/358382403.db2.gz DTUICZOGPZXDPR-HWWQOWPSSA-N 0 3 324.377 2.306 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC[C@@]1(O)CCCOC1 ZINC000595044848 358383112 /nfs/dbraw/zinc/38/31/12/358383112.db2.gz GJZXUKOJZUFXOB-LRDDRELGSA-N 0 3 324.377 2.186 20 5 DEBDHN CC1(C)C[C@@H](N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CO1 ZINC000595370820 358432837 /nfs/dbraw/zinc/43/28/37/358432837.db2.gz JPSZBTJZWYVWNS-WCQYABFASA-N 0 3 306.366 2.044 20 5 DEBDHN Cc1noc(CN2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c1[N+](=O)[O-] ZINC000595388899 358437164 /nfs/dbraw/zinc/43/71/64/358437164.db2.gz YOMZZCZHCFBHLP-GXTWGEPZSA-N 0 3 320.393 2.340 20 5 DEBDHN CC[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000595764804 358543579 /nfs/dbraw/zinc/54/35/79/358543579.db2.gz DBRKUCJCRWCIIS-LBPRGKRZSA-N 0 3 307.350 2.320 20 5 DEBDHN CN(c1ccccc1)[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000595825244 358557210 /nfs/dbraw/zinc/55/72/10/358557210.db2.gz DGBJMIRUECIQIR-OAHLLOKOSA-N 0 3 315.377 2.002 20 5 DEBDHN C[C@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)[C@@H]1CCO ZINC000595695346 358525521 /nfs/dbraw/zinc/52/55/21/358525521.db2.gz GWIBQFAVUAUTAK-XJKSGUPXSA-N 0 3 308.378 2.457 20 5 DEBDHN Cc1cc(N(C)CCCN2CCN(C)CC2)c([N+](=O)[O-])s1 ZINC000596120280 358615209 /nfs/dbraw/zinc/61/52/09/358615209.db2.gz IGHSPKJCQFEWFJ-UHFFFAOYSA-N 0 3 312.439 2.038 20 5 DEBDHN CC[C@H]1CN(C)CCCN1C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000597604173 358960695 /nfs/dbraw/zinc/96/06/95/358960695.db2.gz GYYKUKVECGWDSP-ZDUSSCGKSA-N 0 3 321.377 2.160 20 5 DEBDHN Cc1c(C(=O)N2CCC[C@]3(CCN(C)C3)C2)cccc1[N+](=O)[O-] ZINC000597713072 358985332 /nfs/dbraw/zinc/98/53/32/358985332.db2.gz BQKHJTBEKYKWCB-QGZVFWFLSA-N 0 3 317.389 2.461 20 5 DEBDHN CC(C)[C@H]1CN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CCN1 ZINC000598572090 359246019 /nfs/dbraw/zinc/24/60/19/359246019.db2.gz KVNHAJNGNYHEPC-XHDPSFHLSA-N 0 3 323.368 2.294 20 5 DEBDHN CC(C)(C)Oc1cc(NCCN2CC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000599175721 359426081 /nfs/dbraw/zinc/42/60/81/359426081.db2.gz JIVPUSDYXJSZSR-CYBMUJFWSA-N 0 3 323.393 2.251 20 5 DEBDHN CCN(C)C(=O)CN[C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000186814248 200015232 /nfs/dbraw/zinc/01/52/32/200015232.db2.gz QEVNONVLYIGNIF-DZGCQCFKSA-N 0 3 319.405 2.374 20 5 DEBDHN CCN(C(=O)Cc1ccccc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000599985334 359629124 /nfs/dbraw/zinc/62/91/24/359629124.db2.gz CIMRNUMGAJFYMT-UHFFFAOYSA-N 0 3 305.378 2.080 20 5 DEBDHN CN(C)CC1(NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)CCC1 ZINC000281064855 216054914 /nfs/dbraw/zinc/05/49/14/216054914.db2.gz LXRDTVBPRJPTLE-UHFFFAOYSA-N 0 3 313.304 2.087 20 5 DEBDHN O=C(c1c(F)cccc1[N+](=O)[O-])N1CC[C@@H](N2CCCCC2)C1 ZINC000601124351 359930892 /nfs/dbraw/zinc/93/08/92/359930892.db2.gz FMGJEBCIVFLIIF-GFCCVEGCSA-N 0 3 321.352 2.434 20 5 DEBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601180437 359954654 /nfs/dbraw/zinc/95/46/54/359954654.db2.gz OORQXBPFKFURNA-LLVKDONJSA-N 0 3 309.341 2.148 20 5 DEBDHN O=C(NC1CCN(C2CCC2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000601622541 360090297 /nfs/dbraw/zinc/09/02/97/360090297.db2.gz WLLSYELVHQMYJO-UHFFFAOYSA-N 0 3 321.352 2.481 20 5 DEBDHN CO[C@](C)(CNCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000602637145 360470793 /nfs/dbraw/zinc/47/07/93/360470793.db2.gz KWPPTUWEZKGVEO-OAHLLOKOSA-N 0 3 304.350 2.376 20 5 DEBDHN CN(C)CCN(C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602658708 360479749 /nfs/dbraw/zinc/47/97/49/360479749.db2.gz IMALRJDCDJUFKH-UHFFFAOYSA-N 0 3 322.228 2.412 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(OC2CCC2)CC1 ZINC000602848115 360587512 /nfs/dbraw/zinc/58/75/12/360587512.db2.gz ZABBVGCYKCZHDW-UHFFFAOYSA-N 0 3 308.382 2.133 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000602900969 360616811 /nfs/dbraw/zinc/61/68/11/360616811.db2.gz PVCCEMNJNQBXCJ-GJZGRUSLSA-N 0 3 322.409 2.381 20 5 DEBDHN C[C@@H]1CN(CCCCNc2cc(N)ccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000192799187 200943451 /nfs/dbraw/zinc/94/34/51/200943451.db2.gz UEGUTKREGZUFRO-CHWSQXEVSA-N 0 3 322.409 2.478 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000609383671 361308005 /nfs/dbraw/zinc/30/80/05/361308005.db2.gz ZVSGGUINBDXEMQ-ZDUSSCGKSA-N 0 3 303.362 2.117 20 5 DEBDHN O=C1[C@H](N2C[C@@H]3CCC[C@@H]32)CCN1c1cccc([N+](=O)[O-])c1 ZINC000610762643 361462236 /nfs/dbraw/zinc/46/22/36/361462236.db2.gz JFGMLSGGRXFTDV-TUKIKUTGSA-N 0 3 301.346 2.184 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(NC2CCN([C@@H]3CCOC3)CC2)c1 ZINC000611165750 361538537 /nfs/dbraw/zinc/53/85/37/361538537.db2.gz INZGNJKNVGSKBK-CYBMUJFWSA-N 0 3 321.377 2.269 20 5 DEBDHN CN(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)CC1CCOCC1 ZINC000611271226 361566649 /nfs/dbraw/zinc/56/66/49/361566649.db2.gz JTSPYPBMOZKCJN-UHFFFAOYSA-N 0 3 322.361 2.224 20 5 DEBDHN CCn1cnnc1CCN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000611336002 361581852 /nfs/dbraw/zinc/58/18/52/361581852.db2.gz JQULDQIHVLCAEB-GFCCVEGCSA-N 0 3 303.366 2.408 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC=CCC1 ZINC000611517119 361620049 /nfs/dbraw/zinc/62/00/49/361620049.db2.gz ABEMNYUCGYNVDC-UHFFFAOYSA-N 0 3 305.334 2.194 20 5 DEBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3ccc(O)cc3)C2)nc1 ZINC000611526555 361623635 /nfs/dbraw/zinc/62/36/35/361623635.db2.gz UDTFDUSFUHPNNF-ZDUSSCGKSA-N 0 3 314.345 2.382 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])c(NC[C@H](O)CN2CCC(C)CC2)n1 ZINC000611616308 361645874 /nfs/dbraw/zinc/64/58/74/361645874.db2.gz GVOKAIUMDVMTBY-AWEZNQCLSA-N 0 3 322.409 2.111 20 5 DEBDHN CO[C@@H]1CCCC[C@@H]1N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000275298131 212256930 /nfs/dbraw/zinc/25/69/30/212256930.db2.gz ZECQDOOQHGRBPR-OSAQELSMSA-N 0 3 321.377 2.469 20 5 DEBDHN CCOC[C@@H](O)CN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543497 243092083 /nfs/dbraw/zinc/09/20/83/243092083.db2.gz CBJYYGNAUFFWFN-ZBFHGGJFSA-N 0 3 308.378 2.172 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1CN[C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000451611158 243198748 /nfs/dbraw/zinc/19/87/48/243198748.db2.gz LFBJFCUUTGGOGJ-NVXWUHKLSA-N 0 3 320.389 2.490 20 5 DEBDHN COC[C@@]1(CO)CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000451925648 243644383 /nfs/dbraw/zinc/64/43/83/243644383.db2.gz GJIMWUFUJCYBAF-BBRMVZONSA-N 0 3 308.378 2.295 20 5 DEBDHN CCN1CCCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000264801688 204167343 /nfs/dbraw/zinc/16/73/43/204167343.db2.gz UGTIEMSLUZFGLW-RMKNXTFCSA-N 0 3 303.362 2.162 20 5 DEBDHN O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@H](N2CCCCC2)C1 ZINC000266091930 205091585 /nfs/dbraw/zinc/09/15/85/205091585.db2.gz IXGDXRYEILQTMS-INIZCTEOSA-N 0 3 317.389 2.224 20 5 DEBDHN COCCCN1CCC(Nc2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000266194096 205173111 /nfs/dbraw/zinc/17/31/11/205173111.db2.gz HHVZLIBTPOXBCE-UHFFFAOYSA-N 0 3 308.382 2.211 20 5 DEBDHN CN(C(=O)c1cccc([N+](=O)[O-])c1Cl)C1CCN(C)CC1 ZINC000160356252 197403136 /nfs/dbraw/zinc/40/31/36/197403136.db2.gz HBEQNOXPWROCHP-UHFFFAOYSA-N 0 3 311.769 2.414 20 5 DEBDHN COC(=O)COc1ccc(CNC2(C3CC3)CC2)cc1[N+](=O)[O-] ZINC000530547460 284437308 /nfs/dbraw/zinc/43/73/08/284437308.db2.gz MOPVLYRBPSDLRP-UHFFFAOYSA-N 0 3 320.345 2.179 20 5 DEBDHN CN(C)CC(C)(C)NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000457234039 247694358 /nfs/dbraw/zinc/69/43/58/247694358.db2.gz IRJXXWFAWUQVTA-UHFFFAOYSA-N 0 3 321.377 2.014 20 5 DEBDHN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/CN(C)C ZINC000493381140 249287776 /nfs/dbraw/zinc/28/77/76/249287776.db2.gz HQFFFSVOBSWATR-AATRIKPKSA-N 0 3 306.366 2.471 20 5 DEBDHN CN1CC=C(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000271916106 209320371 /nfs/dbraw/zinc/32/03/71/209320371.db2.gz JNLOYSPNMJZZNL-UHFFFAOYSA-N 0 3 309.753 2.240 20 5 DEBDHN Cc1c([C@@H](C)NC[C@@H](O)c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000268854818 207022345 /nfs/dbraw/zinc/02/23/45/207022345.db2.gz CSUQSXLLDQMBOL-IAQYHMDHSA-N 0 3 304.350 2.021 20 5 DEBDHN CC(C)NC(=O)c1ccc(NC2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000291665072 404470953 /nfs/dbraw/zinc/47/09/53/404470953.db2.gz QSTJAEZUDCFFDS-UHFFFAOYSA-N 0 3 320.393 2.239 20 5 DEBDHN C[C@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000119850343 195049104 /nfs/dbraw/zinc/04/91/04/195049104.db2.gz UIGOTDIHGKNQPF-CMPLNLGQSA-N 0 3 304.350 2.342 20 5 DEBDHN C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)C1=CCN(C)CC1 ZINC000272952097 210338427 /nfs/dbraw/zinc/33/84/27/210338427.db2.gz MCNLMFWXVKZZHA-LLVKDONJSA-N 0 3 304.350 2.367 20 5 DEBDHN COc1ccc(NC(=O)NC[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000542031396 285206743 /nfs/dbraw/zinc/20/67/43/285206743.db2.gz FDQIDKCTSPDOHR-LLVKDONJSA-N 0 3 322.365 2.067 20 5 DEBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000120477451 195173397 /nfs/dbraw/zinc/17/33/97/195173397.db2.gz HJZSXYXAMAQODW-HZMBPMFUSA-N 0 3 309.341 2.146 20 5 DEBDHN Cc1cc(C(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000120637623 195206433 /nfs/dbraw/zinc/20/64/33/195206433.db2.gz RLSTXUALRNRYRZ-GXTWGEPZSA-N 0 3 305.378 2.315 20 5 DEBDHN COC[C@H](N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C(C)C ZINC000543455216 285288465 /nfs/dbraw/zinc/28/84/65/285288465.db2.gz UYJGFILRHYITQC-RISCZKNCSA-N 0 3 309.366 2.182 20 5 DEBDHN COC[C@@H](N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C(C)C ZINC000543455213 285288632 /nfs/dbraw/zinc/28/86/32/285288632.db2.gz UYJGFILRHYITQC-BXUZGUMPSA-N 0 3 309.366 2.182 20 5 DEBDHN CC(C)(O)C(C)(C)NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000271602453 209049191 /nfs/dbraw/zinc/04/91/91/209049191.db2.gz IPIYYUSZEVMJNW-UHFFFAOYSA-N 0 3 310.350 2.100 20 5 DEBDHN COc1cc(CN[C@H](CO)C2CCCC2)c([N+](=O)[O-])cc1F ZINC000289630907 221115046 /nfs/dbraw/zinc/11/50/46/221115046.db2.gz UDOFBYPQAUXSQG-CYBMUJFWSA-N 0 3 312.341 2.383 20 5 DEBDHN Cc1nccnc1CCN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294944030 224328563 /nfs/dbraw/zinc/32/85/63/224328563.db2.gz ICPTXTRKHGOHOV-SNVBAGLBSA-N 0 3 301.350 2.169 20 5 DEBDHN O=[N+]([O-])c1ccccc1/C=C/CNC[C@@H]1CCCS(=O)(=O)C1 ZINC000289951214 221337140 /nfs/dbraw/zinc/33/71/40/221337140.db2.gz BWWFUYPLRZQQPW-MXPWBENCSA-N 0 3 324.402 2.022 20 5 DEBDHN COCCN1CCC(Nc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000121694944 195330891 /nfs/dbraw/zinc/33/08/91/195330891.db2.gz BPUBOCNDZRADNQ-UHFFFAOYSA-N 0 3 315.320 2.396 20 5 DEBDHN CSCC[C@H](N)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000121821518 195355457 /nfs/dbraw/zinc/35/54/57/195355457.db2.gz MHACOWDETPZBHR-JQWIXIFHSA-N 0 3 311.407 2.161 20 5 DEBDHN COc1ccc(CN2CC[C@@H](O)C23CCCC3)cc1[N+](=O)[O-] ZINC000292568670 533567086 /nfs/dbraw/zinc/56/70/86/533567086.db2.gz BMXAPGDEIMKVRO-OAHLLOKOSA-N 0 3 306.362 2.483 20 5 DEBDHN Cc1cc(C(=O)N2CCCN(C(C)C)CC2)cc([N+](=O)[O-])c1 ZINC000340723066 132166648 /nfs/dbraw/zinc/16/66/48/132166648.db2.gz COOHFRHRWYTBJD-UHFFFAOYSA-N 0 3 305.378 2.460 20 5 DEBDHN CCCN1CCC[C@@H]1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000355534030 133032282 /nfs/dbraw/zinc/03/22/82/133032282.db2.gz OMXODZJMJFIIHP-OAHLLOKOSA-N 0 3 305.378 2.428 20 5 DEBDHN CC(C)c1ccc(CN2CC[C@@](C)(C(N)=O)C2)cc1[N+](=O)[O-] ZINC000355725847 133044087 /nfs/dbraw/zinc/04/40/87/133044087.db2.gz HGGHIGCVRQJIRN-MRXNPFEDSA-N 0 3 305.378 2.416 20 5 DEBDHN CN(C)C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccc(F)cc1 ZINC000359782229 133144574 /nfs/dbraw/zinc/14/45/74/133144574.db2.gz CZRQXTGIAVZKHC-CQSZACIVSA-N 0 3 320.324 2.095 20 5 DEBDHN COc1ccc(NC(=O)N[C@@H]2CCN(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000360397908 133179827 /nfs/dbraw/zinc/17/98/27/133179827.db2.gz ZAVOHSDZIKVVEN-CMPLNLGQSA-N 0 3 322.365 2.208 20 5 DEBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@@H]3OCCC[C@H]3C2)c1 ZINC000246236304 145095715 /nfs/dbraw/zinc/09/57/15/145095715.db2.gz HCVZKELCHKZCFN-IMJJTQAJSA-N 0 3 306.362 2.129 20 5 DEBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000246568800 145106923 /nfs/dbraw/zinc/10/69/23/145106923.db2.gz HPICAHDBVDQOIG-HOCLYGCPSA-N 0 3 317.389 2.080 20 5 DEBDHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000346189309 146034382 /nfs/dbraw/zinc/03/43/82/146034382.db2.gz LXCCDBJWXGRBAX-IAQYHMDHSA-N 0 3 321.352 2.433 20 5 DEBDHN CC(C)CN(C(=O)c1ccc([N+](=O)[O-])n1C)C1CCN(C)CC1 ZINC000347018504 146180547 /nfs/dbraw/zinc/18/05/47/146180547.db2.gz UVTJRUBEACPEAA-UHFFFAOYSA-N 0 3 322.409 2.126 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](C)[C@H]1CCCOC1 ZINC000348143201 146222875 /nfs/dbraw/zinc/22/28/75/146222875.db2.gz HUTULJKAJPTOFT-OLZOCXBDSA-N 0 3 321.377 2.246 20 5 DEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CC[C@H]2C2CC2)cc1 ZINC000348429197 146271189 /nfs/dbraw/zinc/27/11/89/146271189.db2.gz XYKBYIXSWYUQFE-LSDHHAIUSA-N 0 3 324.402 2.147 20 5 DEBDHN CN(C)CCN(Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000349044702 146344288 /nfs/dbraw/zinc/34/42/88/146344288.db2.gz XWNVRVXKFIRLSD-HNNXBMFYSA-N 0 3 307.394 2.137 20 5 DEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@H]1CCS(=O)(=O)[C@H]1C ZINC000552083558 285941296 /nfs/dbraw/zinc/94/12/96/285941296.db2.gz MMSFDBSECKPMOC-FMUZQAFBSA-N 0 3 324.402 2.163 20 5 DEBDHN Cc1c(CNC(=O)N[C@@H]2CCN(C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000358927249 147232521 /nfs/dbraw/zinc/23/25/21/147232521.db2.gz GMXOKBBDYDSVPI-BXUZGUMPSA-N 0 3 320.393 2.185 20 5 DEBDHN C[C@H](NCCN1C[C@H]2CC[C@@H](C1)O2)c1cccc([N+](=O)[O-])c1 ZINC000371477783 148108491 /nfs/dbraw/zinc/10/84/91/148108491.db2.gz PAZJTEFEZQBXBI-VBNZEHGJSA-N 0 3 305.378 2.109 20 5 DEBDHN CC[C@H](C)[C@](C)(O)C[NH2+]Cc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000112379880 401742284 /nfs/dbraw/zinc/74/22/84/401742284.db2.gz VJPPAJOEWGISTC-ZUZCIYMTSA-N 0 3 312.366 2.196 20 5 DEBDHN CCC1(CO)CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000127635965 401743485 /nfs/dbraw/zinc/74/34/85/401743485.db2.gz YXAVHDYTVCWFLO-UHFFFAOYSA-N 0 3 308.378 2.458 20 5 DEBDHN Cc1c(CN2CCC[C@@H]2CN2CCOCC2)cccc1[N+](=O)[O-] ZINC000075890258 401773078 /nfs/dbraw/zinc/77/30/78/401773078.db2.gz ILHXCMKSNWUYJL-MRXNPFEDSA-N 0 3 319.405 2.200 20 5 DEBDHN COc1cc(C(=O)N(C)C[C@@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000115439945 401827409 /nfs/dbraw/zinc/82/74/09/401827409.db2.gz UZQPZXUFEFVPTR-GFCCVEGCSA-N 0 3 321.377 2.017 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC1CCN(C)CC1 ZINC000085619932 401917929 /nfs/dbraw/zinc/91/79/29/401917929.db2.gz MYRMSOWXTBTKGY-UHFFFAOYSA-N 0 3 306.366 2.427 20 5 DEBDHN C[C@@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)CN1C1CC1 ZINC000120559026 401994236 /nfs/dbraw/zinc/99/42/36/401994236.db2.gz QGCPCRYSZIEZDU-PWSUYJOCSA-N 0 3 321.352 2.018 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000121059107 402012634 /nfs/dbraw/zinc/01/26/34/402012634.db2.gz CNVXFVXNRMPHQO-WFASDCNBSA-N 0 3 305.378 2.315 20 5 DEBDHN Cn1ccc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000093534386 402016489 /nfs/dbraw/zinc/01/64/89/402016489.db2.gz CKEOUTJTFNUZRI-CYBMUJFWSA-N 0 3 301.350 2.015 20 5 DEBDHN CN(C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCCN(C)C1 ZINC000153559047 402152864 /nfs/dbraw/zinc/15/28/64/402152864.db2.gz ABHYWQJDORBCIB-IZPAUZPXSA-N 0 3 321.352 2.300 20 5 DEBDHN O=[N+]([O-])c1cccc(-c2ccc(CN(CCO)CCCO)o2)c1 ZINC000124437249 402179700 /nfs/dbraw/zinc/17/97/00/402179700.db2.gz VLGATKRCWNKMSZ-UHFFFAOYSA-N 0 3 320.345 2.032 20 5 DEBDHN COc1cc(C[NH2+]CC2(O)CCCCC2)c([N+](=O)[O-])cc1[O-] ZINC000102426082 402166873 /nfs/dbraw/zinc/16/68/73/402166873.db2.gz BBVHAEWMTBYVCH-UHFFFAOYSA-N 0 3 310.350 2.094 20 5 DEBDHN O=[N+]([O-])c1ccccc1CN1CCC[C@H](CN2CCOCC2)C1 ZINC000069858743 402247388 /nfs/dbraw/zinc/24/73/88/402247388.db2.gz DWYDHNYJZOVOBR-OAHLLOKOSA-N 0 3 319.405 2.139 20 5 DEBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCN(C)C2)c1 ZINC000108345852 402251043 /nfs/dbraw/zinc/25/10/43/402251043.db2.gz OCZYLHBVIPJQHU-NSHDSACASA-N 0 3 323.418 2.388 20 5 DEBDHN Cc1c(NC(=O)NC[C@@H]2CCCN(C)C2)cccc1[N+](=O)[O-] ZINC000108496916 402254931 /nfs/dbraw/zinc/25/49/31/402254931.db2.gz NMOPAYIJOGZYSU-LBPRGKRZSA-N 0 3 306.366 2.367 20 5 DEBDHN Cc1ccc(NCCCNC(=O)C2(N)CCCC2)c([N+](=O)[O-])c1 ZINC000237666553 402417142 /nfs/dbraw/zinc/41/71/42/402417142.db2.gz DVJVJAJQRHWOIK-UHFFFAOYSA-N 0 3 320.393 2.093 20 5 DEBDHN NC1(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000237788081 402421592 /nfs/dbraw/zinc/42/15/92/402421592.db2.gz OPUBBEBZTPZZQG-UHFFFAOYSA-N 0 3 305.378 2.305 20 5 DEBDHN CC(C)(C)NC(=O)CN[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000177764127 402433591 /nfs/dbraw/zinc/43/35/91/402433591.db2.gz IXRONWOWKQGTJB-CQSZACIVSA-N 0 3 319.405 2.420 20 5 DEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000177813833 402438306 /nfs/dbraw/zinc/43/83/06/402438306.db2.gz JRUGOJOEXHCEPS-YPMHNXCESA-N 0 3 321.352 2.433 20 5 DEBDHN COc1ccc(OCCN(C)C[C@H]2CCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000246044286 402505640 /nfs/dbraw/zinc/50/56/40/402505640.db2.gz AOIUODIZXHSWCE-IUODEOHRSA-N 0 3 324.377 2.075 20 5 DEBDHN Cc1c(CN2CCC[C@H](C3OCCO3)C2)cccc1[N+](=O)[O-] ZINC000171375236 402582163 /nfs/dbraw/zinc/58/21/63/402582163.db2.gz UQBAAFDLXPGVNC-AWEZNQCLSA-N 0 3 306.362 2.488 20 5 DEBDHN CC[C@H](N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000248639787 402600720 /nfs/dbraw/zinc/60/07/20/402600720.db2.gz ZACXCGFNOKGOQR-UGFHNGPFSA-N 0 3 321.377 2.469 20 5 DEBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNCCCCCO)c1 ZINC000192905280 402756108 /nfs/dbraw/zinc/75/61/08/402756108.db2.gz FVSHEYXADKCNDB-UHFFFAOYSA-N 0 3 304.293 2.448 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@@]1(O)CCSC1)CCC2 ZINC000192927531 402756977 /nfs/dbraw/zinc/75/69/77/402756977.db2.gz CYWQQZSWOYYLGX-GJZGRUSLSA-N 0 3 308.403 2.430 20 5 DEBDHN C[C@H](NC(=O)[C@H](N)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000193896141 402777408 /nfs/dbraw/zinc/77/74/08/402777408.db2.gz RNUZAQTZTRCGFE-BLLLJJGKSA-N 0 3 313.357 2.342 20 5 DEBDHN CC1(C)CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCN1 ZINC000175390161 402802456 /nfs/dbraw/zinc/80/24/56/402802456.db2.gz PBKMEDDQDVQATO-UHFFFAOYSA-N 0 3 311.769 2.001 20 5 DEBDHN CN1CC[C@@H]2CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)[C@H]2C1 ZINC000278559142 402867848 /nfs/dbraw/zinc/86/78/48/402867848.db2.gz WKZJQDILQGWFAA-YGRLFVJLSA-N 0 3 301.350 2.002 20 5 DEBDHN COc1cc(C[NH2+]C[C@H]2CCO[C@H](C)C2)c([N+](=O)[O-])cc1[O-] ZINC000271516929 402878191 /nfs/dbraw/zinc/87/81/91/402878191.db2.gz PXLRHHHMNSZANC-MNOVXSKESA-N 0 3 310.350 2.214 20 5 DEBDHN CN1CC=C(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000272040332 402890335 /nfs/dbraw/zinc/89/03/35/402890335.db2.gz XWWRIQTXRLLNLD-UHFFFAOYSA-N 0 3 323.780 2.169 20 5 DEBDHN CN(CCOc1ccccc1[N+](=O)[O-])C[C@@H]1CCCC[C@@H]1O ZINC000272594120 402957294 /nfs/dbraw/zinc/95/72/94/402957294.db2.gz UFOPQMYZVIXPLF-ZFWWWQNUSA-N 0 3 308.378 2.457 20 5 DEBDHN CC[C@@H](C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1)N(CC)CC ZINC000265453263 402920212 /nfs/dbraw/zinc/92/02/12/402920212.db2.gz DGNIEEVRNFMVRC-ZDUSSCGKSA-N 0 3 323.393 2.340 20 5 DEBDHN CC(C)(C)[C@@H](O)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000265453948 402920579 /nfs/dbraw/zinc/92/05/79/402920579.db2.gz LJPFIZCJALRQQP-HNNXBMFYSA-N 0 3 307.394 2.124 20 5 DEBDHN Cc1ccc(C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000272374879 402929261 /nfs/dbraw/zinc/92/92/61/402929261.db2.gz BGGYSFVKZZVUGX-SWLSCSKDSA-N 0 3 303.362 2.069 20 5 DEBDHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273466583 403007049 /nfs/dbraw/zinc/00/70/49/403007049.db2.gz NRZMCULIWALEQN-CMPLNLGQSA-N 0 3 322.340 2.434 20 5 DEBDHN C[C@H]1CN2CCC[C@H]2CN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273466585 403007263 /nfs/dbraw/zinc/00/72/63/403007263.db2.gz NRZMCULIWALEQN-JQWIXIFHSA-N 0 3 322.340 2.434 20 5 DEBDHN CN(C)CCN(Cc1cccs1)c1ncc([N+](=O)[O-])cn1 ZINC000273704217 403026774 /nfs/dbraw/zinc/02/67/74/403026774.db2.gz DHEXGVVUWJMPBU-UHFFFAOYSA-N 0 3 307.379 2.015 20 5 DEBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000274336933 403045972 /nfs/dbraw/zinc/04/59/72/403045972.db2.gz CCZDJFUEBUZWNE-TVQRCGJNSA-N 0 3 323.780 2.461 20 5 DEBDHN CN(CCN(C)C1CC1)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000274610739 403071964 /nfs/dbraw/zinc/07/19/64/403071964.db2.gz WSOUABJISKRIGV-UHFFFAOYSA-N 0 3 311.769 2.414 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCC[C@H]1C ZINC000281878901 403101013 /nfs/dbraw/zinc/10/10/13/403101013.db2.gz AFLQCDYZPLFRTO-ZYHUDNBSSA-N 0 3 307.350 2.320 20 5 DEBDHN CC(C)[C@@H](C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)N(C)C ZINC000269320323 403130782 /nfs/dbraw/zinc/13/07/82/403130782.db2.gz LMIYHCYAXVLYJA-ZDUSSCGKSA-N 0 3 313.785 2.451 20 5 DEBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)CC(F)(F)F ZINC000282439823 403154242 /nfs/dbraw/zinc/15/42/42/403154242.db2.gz KVVUMSPQLYTBBA-LBPRGKRZSA-N 0 3 306.284 2.382 20 5 DEBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC3(C2)CCOCC3)c1 ZINC000269666432 403155258 /nfs/dbraw/zinc/15/52/58/403155258.db2.gz SIKHAGFLNOQDGB-OAHLLOKOSA-N 0 3 306.362 2.131 20 5 DEBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCN(C3CCCC3)CC2)c1 ZINC000269682307 403156549 /nfs/dbraw/zinc/15/65/49/403156549.db2.gz ROCZKKBAQHWFFL-QGZVFWFLSA-N 0 3 319.405 2.188 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](N(C)C)C2)c1 ZINC000283652978 403212715 /nfs/dbraw/zinc/21/27/15/403212715.db2.gz DDZRBBXJRQPDBW-LBPRGKRZSA-N 0 3 321.377 2.160 20 5 DEBDHN O=C(NC[C@@H]1CCCCN1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000277522844 403226790 /nfs/dbraw/zinc/22/67/90/403226790.db2.gz LXHZUYYLGULSSD-HNNXBMFYSA-N 0 3 303.362 2.342 20 5 DEBDHN CCOCC[C@@H](O)CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000277585533 403233550 /nfs/dbraw/zinc/23/35/50/403233550.db2.gz CRDGCQSSQJEYBE-MRXNPFEDSA-N 0 3 308.378 2.347 20 5 DEBDHN CS[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1N(C)C ZINC000270497706 403195994 /nfs/dbraw/zinc/19/59/94/403195994.db2.gz WEGZSDYCOGQFEL-STQMWFEESA-N 0 3 324.406 2.104 20 5 DEBDHN CCOc1ccc([C@@H](C)NCCCC(=O)NC)cc1[N+](=O)[O-] ZINC000271060998 403259257 /nfs/dbraw/zinc/25/92/57/403259257.db2.gz CASDZQBNGZHBCB-LLVKDONJSA-N 0 3 309.366 2.170 20 5 DEBDHN CO[C@H]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000271173576 403273514 /nfs/dbraw/zinc/27/35/14/403273514.db2.gz IKPCUPHXYYMSHQ-HNNXBMFYSA-N 0 3 316.361 2.216 20 5 DEBDHN CC(C)c1ccc(CNC[C@@]2(O)CCO[C@@H]2C)cc1[N+](=O)[O-] ZINC000331205237 403352487 /nfs/dbraw/zinc/35/24/87/403352487.db2.gz SKACFWBNAXZVGA-WBMJQRKESA-N 0 3 308.378 2.348 20 5 DEBDHN COc1cc(CNC[C@H]2CCOC[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000285569935 403330618 /nfs/dbraw/zinc/33/06/18/403330618.db2.gz SKACGSKNGDZUKM-VXGBXAGGSA-N 0 3 324.377 2.374 20 5 DEBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CC[C@H]3CCCCO3)C2)nc1 ZINC000331497179 403400022 /nfs/dbraw/zinc/40/00/22/403400022.db2.gz BDKHTTYHUMAQIR-UKRRQHHQSA-N 0 3 320.393 2.435 20 5 DEBDHN Cc1ccc([C@H](C)NC(=O)[C@@H](N)CC(F)F)cc1[N+](=O)[O-] ZINC000345698445 403442242 /nfs/dbraw/zinc/44/22/42/403442242.db2.gz SOIJEYSRROBTKF-WPRPVWTQSA-N 0 3 301.293 2.063 20 5 DEBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)N(C)C ZINC000343178298 403488644 /nfs/dbraw/zinc/48/86/44/403488644.db2.gz QAMCVQYIBNJABT-JTQLQIEISA-N 0 3 311.407 2.387 20 5 DEBDHN CNC(=O)OC[C@H]1CCCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000287132763 403554896 /nfs/dbraw/zinc/55/48/96/403554896.db2.gz ZXJDXMQITQSCDC-OAHLLOKOSA-N 0 3 321.377 2.348 20 5 DEBDHN C[C@@H]1[C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCCN1C ZINC000343470844 403603769 /nfs/dbraw/zinc/60/37/69/403603769.db2.gz YEDBAVSSYCVWRG-RNCFNFMXSA-N 0 3 311.769 2.461 20 5 DEBDHN CCn1ccnc1[C@@H]1OCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000343399593 403570377 /nfs/dbraw/zinc/57/03/77/403570377.db2.gz KJUHRCUDBPNRQN-LSDHHAIUSA-N 0 3 316.361 2.431 20 5 DEBDHN C[C@@H]1[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)CCCN1C ZINC000343527290 403623806 /nfs/dbraw/zinc/62/38/06/403623806.db2.gz VGUGLDNPCZXNBM-IUODEOHRSA-N 0 3 305.378 2.126 20 5 DEBDHN CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(C)c2)CCN1CCOC ZINC000301446104 403630516 /nfs/dbraw/zinc/63/05/16/403630516.db2.gz ZHSMXVXMMGTHGS-CQSZACIVSA-N 0 3 307.394 2.450 20 5 DEBDHN CN1CCC[C@@]2(CCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C2)C1 ZINC000294090225 403644643 /nfs/dbraw/zinc/64/46/43/403644643.db2.gz KCCXVTJBEZLHIQ-MRXNPFEDSA-N 0 3 321.352 2.292 20 5 DEBDHN Cc1nnc(CCN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)s1 ZINC000294269941 403689117 /nfs/dbraw/zinc/68/91/17/403689117.db2.gz LTDDZMZNKJDXMD-QMMMGPOBSA-N 0 3 307.379 2.230 20 5 DEBDHN C[C@@H]1C[C@@H](O)CN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000340936481 403705338 /nfs/dbraw/zinc/70/53/38/403705338.db2.gz YSXHDJCEBQDEPT-BXUZGUMPSA-N 0 3 317.345 2.247 20 5 DEBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000295118578 403765847 /nfs/dbraw/zinc/76/58/47/403765847.db2.gz MCBADTUPKFPQIZ-NOZJJQNGSA-N 0 3 323.780 2.461 20 5 DEBDHN C[C@H](NC(=O)N[C@H]1CCCN(C)[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000343937804 403800107 /nfs/dbraw/zinc/80/01/07/403800107.db2.gz QFJKVCRRYILHOX-SCRDCRAPSA-N 0 3 320.393 2.438 20 5 DEBDHN O=C(CCN1[C@@H]2CC[C@H]1CC(=O)C2)Nc1ccc([N+](=O)[O-])cc1 ZINC000411566031 403897873 /nfs/dbraw/zinc/89/78/73/403897873.db2.gz IQIFONHEMUAIBQ-OKILXGFUSA-N 0 3 317.345 2.119 20 5 DEBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1ccn(C)c1 ZINC000341317864 403906311 /nfs/dbraw/zinc/90/63/11/403906311.db2.gz VQNOZKUFXDNKEN-LBPRGKRZSA-N 0 3 316.361 2.440 20 5 DEBDHN C[C@H]1[C@H](Nc2ncnc3cccc([N+](=O)[O-])c32)CCCN1C ZINC000347881925 403928240 /nfs/dbraw/zinc/92/82/40/403928240.db2.gz PARZPDVQPDOEOK-WDEREUQCSA-N 0 3 301.350 2.433 20 5 DEBDHN CCN(C)C(=O)[C@@H](NCCOc1cccc([N+](=O)[O-])c1)C(C)C ZINC000296114401 404100201 /nfs/dbraw/zinc/10/02/01/404100201.db2.gz FDPFGOFQCVLIPM-HNNXBMFYSA-N 0 3 323.393 2.066 20 5 DEBDHN CN1CC[C@H]2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000369844014 404248841 /nfs/dbraw/zinc/24/88/41/404248841.db2.gz AAGOGEMYLDPBBG-FZMZJTMJSA-N 0 3 304.350 2.153 20 5 DEBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000344611364 404261147 /nfs/dbraw/zinc/26/11/47/404261147.db2.gz NEWRKDHSZUHWEA-CYBMUJFWSA-N 0 3 320.393 2.027 20 5 DEBDHN C[C@H]1CCCN1C(=O)CCN(C)CCc1ccccc1[N+](=O)[O-] ZINC000352562930 404457462 /nfs/dbraw/zinc/45/74/62/404457462.db2.gz NOHUCDZBLMCDKT-AWEZNQCLSA-N 0 3 319.405 2.470 20 5 DEBDHN CCS(=O)(=O)CCCN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000414349799 404587412 /nfs/dbraw/zinc/58/74/12/404587412.db2.gz ZJSUBRKJPXWNFM-GFCCVEGCSA-N 0 3 314.407 2.379 20 5 DEBDHN COCC[C@H](C)CNCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000414488829 404652557 /nfs/dbraw/zinc/65/25/57/404652557.db2.gz XJIILMWWWDUGMM-NSHDSACASA-N 0 3 312.366 2.374 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CCNC[C@@](C)(F)C1 ZINC000414774010 404730686 /nfs/dbraw/zinc/73/06/86/404730686.db2.gz XVFBQBMXSRUCQM-OAHLLOKOSA-N 0 3 311.357 2.127 20 5 DEBDHN C[C@H]1[C@H](Nc2ncc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000377335156 404836693 /nfs/dbraw/zinc/83/66/93/404836693.db2.gz FVOXKZCAPARPGS-SWLSCSKDSA-N 0 3 313.361 2.460 20 5 DEBDHN COc1cc(CN2CCN(C)CC[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000353433578 404829928 /nfs/dbraw/zinc/82/99/28/404829928.db2.gz GXGLFRBUBPPZPF-GFCCVEGCSA-N 0 3 323.393 2.138 20 5 DEBDHN CNc1c(C(=O)N[C@@H](C)C2=CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000360936008 404856268 /nfs/dbraw/zinc/85/62/68/404856268.db2.gz CZMKWADOMARTFB-NSHDSACASA-N 0 3 318.377 2.017 20 5 DEBDHN CCc1nn(C)c(N[C@H](C)CN2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000360959757 404862896 /nfs/dbraw/zinc/86/28/96/404862896.db2.gz HWDVGMCGYJPXPC-NWDGAFQWSA-N 0 3 309.414 2.423 20 5 DEBDHN CC(C)CC[C@@H](O)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000361303472 405014924 /nfs/dbraw/zinc/01/49/24/405014924.db2.gz DAUZOAZADLBUBT-DZGCQCFKSA-N 0 3 322.409 2.273 20 5 DEBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@@H](CC(F)(F)F)C2)n1 ZINC000420938357 405411177 /nfs/dbraw/zinc/41/11/77/405411177.db2.gz ASCGMLNHUCXSOI-JTQLQIEISA-N 0 3 306.288 2.456 20 5 DEBDHN CC1(C)CN(CCCOc2ccc([N+](=O)[O-])cc2)CC[C@@H]1O ZINC000446078237 405370679 /nfs/dbraw/zinc/37/06/79/405370679.db2.gz FJMTYLWTMZWDEE-HNNXBMFYSA-N 0 3 308.378 2.457 20 5 DEBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@@H](CCO)CC2)c1 ZINC000421022685 405432701 /nfs/dbraw/zinc/43/27/01/405432701.db2.gz UYRFAQWXPHLABY-CQSZACIVSA-N 0 3 308.378 2.458 20 5 DEBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@H](CCO)CC2)c1 ZINC000421022683 405432853 /nfs/dbraw/zinc/43/28/53/405432853.db2.gz UYRFAQWXPHLABY-AWEZNQCLSA-N 0 3 308.378 2.458 20 5 DEBDHN CN(C)C[C@@H]1CCCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000492055591 405470778 /nfs/dbraw/zinc/47/07/78/405470778.db2.gz DHOKHZGFVFQVKP-XMELGKRDSA-N 0 3 303.362 2.161 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])cc1CNC1CCN(OC)CC1 ZINC000421399679 405489733 /nfs/dbraw/zinc/48/97/33/405489733.db2.gz QPGOCFBZAIBVNI-UHFFFAOYSA-N 0 3 309.366 2.109 20 5 DEBDHN C[C@H](N[C@]1(C)CCO[C@H]1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000494230017 405664769 /nfs/dbraw/zinc/66/47/69/405664769.db2.gz HBNGGAVJJKWTIL-ZIBATOQPSA-N 0 3 307.350 2.079 20 5 DEBDHN CC(C)(CN1CCCC1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000457059042 405675978 /nfs/dbraw/zinc/67/59/78/405675978.db2.gz WLJNKOHTRNNUBY-UHFFFAOYSA-N 0 3 309.341 2.338 20 5 DEBDHN COc1c(C(=O)N(C)[C@@H]2CCN(C(C)C)C2)cccc1[N+](=O)[O-] ZINC000457082161 405685887 /nfs/dbraw/zinc/68/58/87/405685887.db2.gz DQRSGBCVYYODMD-GFCCVEGCSA-N 0 3 321.377 2.158 20 5 DEBDHN Cc1nc(N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000488729952 406341188 /nfs/dbraw/zinc/34/11/88/406341188.db2.gz GXECKQAKUQBGMW-TYNCELHUSA-N 0 3 304.394 2.465 20 5 DEBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@@H]1CCCN(CCCO)C1 ZINC000570648742 406420736 /nfs/dbraw/zinc/42/07/36/406420736.db2.gz LROPBIVWNFJZDC-CZUORRHYSA-N 0 3 319.405 2.019 20 5 DEBDHN CN(C)C[C@@H]1CCCN1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000491462966 406598088 /nfs/dbraw/zinc/59/80/88/406598088.db2.gz HUUAHZKRFMLFNO-CDNLZTBQSA-N 0 3 303.362 2.161 20 5 DEBDHN Cc1ncsc1CNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000572475501 406675280 /nfs/dbraw/zinc/67/52/80/406675280.db2.gz GTBLSYNCXCXLBY-UHFFFAOYSA-N 0 3 320.374 2.478 20 5 DEBDHN C[C@H](CO[C@H]1CCOC1)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572541964 406690266 /nfs/dbraw/zinc/69/02/66/406690266.db2.gz OYWMVIFETPKQNA-TYNCELHUSA-N 0 3 306.362 2.366 20 5 DEBDHN C[C@H]1CCN(CCNC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000491922964 406778844 /nfs/dbraw/zinc/77/88/44/406778844.db2.gz BLGZXGYKRNAYNM-FHMRSRPSSA-N 0 3 321.352 2.205 20 5 DEBDHN CC[C@@H](O)CN(CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000134497312 196396806 /nfs/dbraw/zinc/39/68/06/196396806.db2.gz GHHYHGPKURSTNZ-MRXNPFEDSA-N 0 3 318.377 2.064 20 5 DEBDHN COc1cc(N2C[C@@H](N(C)C)[C@@H](SC)C2)ccc1[N+](=O)[O-] ZINC000271640114 209085383 /nfs/dbraw/zinc/08/53/83/209085383.db2.gz PNRSLYCUNAGIKO-OCCSQVGLSA-N 0 3 311.407 2.085 20 5 DEBDHN COCCCN1CCC(Nc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413117320 228278931 /nfs/dbraw/zinc/27/89/31/228278931.db2.gz QVQUUDRTHDHBOO-UHFFFAOYSA-N 0 3 312.345 2.042 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@H]1COCCO1)CCCC2 ZINC000417334856 229010138 /nfs/dbraw/zinc/01/01/38/229010138.db2.gz FXZSNYACGGVQPZ-HOCLYGCPSA-N 0 3 306.362 2.367 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC1(N(C)C)CCC1 ZINC000421881185 230014831 /nfs/dbraw/zinc/01/48/31/230014831.db2.gz ZKBBRCWDQQSMMF-UHFFFAOYSA-N 0 3 305.378 2.426 20 5 DEBDHN Cc1cc(NC(C)(C)CCN2CCN(C)CC2)ncc1[N+](=O)[O-] ZINC000302291153 230209500 /nfs/dbraw/zinc/20/95/00/230209500.db2.gz WOOMSCYQJUUZFR-UHFFFAOYSA-N 0 3 321.425 2.126 20 5 DEBDHN CCC[C@@H](NCCNc1cnccn1)c1cccc([N+](=O)[O-])c1 ZINC000361985115 424849260 /nfs/dbraw/zinc/84/92/60/424849260.db2.gz WYRQGGZAMXZRHS-OAHLLOKOSA-N 0 3 315.377 2.928 20 5 DEBDHN C[C@H](CNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)N(C)C ZINC000341271734 424953406 /nfs/dbraw/zinc/95/34/06/424953406.db2.gz BRYHZJVYXCCFGO-GFCCVEGCSA-N 0 3 300.362 3.019 20 5 DEBDHN C[C@H]1C[C@@H](Nc2nc3ccccc3cc2[N+](=O)[O-])CCN1C ZINC000352358984 425045070 /nfs/dbraw/zinc/04/50/70/425045070.db2.gz AQMZDQXKRRYVNM-AAEUAGOBSA-N 0 3 300.362 3.038 20 5 DEBDHN C[C@@H]1[C@@H](Nc2nc3ccccc3cc2[N+](=O)[O-])CCCN1C ZINC000352361024 425045418 /nfs/dbraw/zinc/04/54/18/425045418.db2.gz PQYDIPSUKFENCH-YPMHNXCESA-N 0 3 300.362 3.038 20 5 DEBDHN C[C@@H]1[C@H](Nc2nc3ccccc3cc2[N+](=O)[O-])CCCN1C ZINC000352361021 425045501 /nfs/dbraw/zinc/04/55/01/425045501.db2.gz PQYDIPSUKFENCH-DGCLKSJQSA-N 0 3 300.362 3.038 20 5 DEBDHN CN(C)C1CN(c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000273321686 273792816 /nfs/dbraw/zinc/79/28/16/273792816.db2.gz PLUZQZJSCSAIDV-UHFFFAOYSA-N 0 3 300.156 2.108 20 5 DEBDHN COCC[C@@H](CO)N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000281164065 274038927 /nfs/dbraw/zinc/03/89/27/274038927.db2.gz BPHWNAMZKRTRJK-NHYWBVRUSA-N 0 3 308.378 2.304 20 5 DEBDHN CC1(C)C[C@@H](NC[C@H]2COCCO2)c2cc([N+](=O)[O-])ccc21 ZINC000433170594 275861280 /nfs/dbraw/zinc/86/12/80/275861280.db2.gz XYVYAGJWBOJEKT-SWLSCSKDSA-N 0 3 306.362 2.322 20 5 DEBDHN CCN(CCN1CCCCCC1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000346289997 276124855 /nfs/dbraw/zinc/12/48/55/276124855.db2.gz MNPJKHJWDVNLRW-UHFFFAOYSA-N 0 3 308.382 2.261 20 5 DEBDHN CCN(CCNC(=O)c1cccc(Cl)c1[N+](=O)[O-])C1CC1 ZINC000176214276 276130448 /nfs/dbraw/zinc/13/04/48/276130448.db2.gz PXKZLUYCIPIZBQ-UHFFFAOYSA-N 0 3 311.769 2.462 20 5 DEBDHN CS[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C)C[C@H]1N1CCCC1 ZINC000274691162 278157887 /nfs/dbraw/zinc/15/78/87/278157887.db2.gz QNPVJHPBSVAHLP-ZIAGYGMSSA-N 0 3 322.434 2.314 20 5 DEBDHN C[C@H](C(=O)N(C)C[C@H]1CCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000575800958 326246661 /nfs/dbraw/zinc/24/66/61/326246661.db2.gz WFFVNWHAMKBLFH-KBPBESRZSA-N 0 3 319.405 2.499 20 5 DEBDHN C[C@@H](C(=O)NC[C@H](C)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000576773418 326318277 /nfs/dbraw/zinc/31/82/77/326318277.db2.gz HLNIYRVUQIIJMP-QWHCGFSZSA-N 0 3 305.378 2.299 20 5 DEBDHN Cc1ncncc1[C@H](C)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000577124378 326344281 /nfs/dbraw/zinc/34/42/81/326344281.db2.gz LPBMZOVLMJTLNH-NSHDSACASA-N 0 3 302.334 2.423 20 5 DEBDHN C[C@H](C(=O)N1CCN(C)CC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000584444491 337326260 /nfs/dbraw/zinc/32/62/60/337326260.db2.gz NBDQFMLRFJYWLD-OLZOCXBDSA-N 0 3 305.378 2.251 20 5 DEBDHN Cc1ccc([C@@H](C)NC[C@H](C)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000127498640 525730439 /nfs/dbraw/zinc/73/04/39/525730439.db2.gz FSJWYXGRCPKNFP-LSDHHAIUSA-N 0 3 320.437 2.190 20 5 DEBDHN CCN1CCC(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000330875371 528985108 /nfs/dbraw/zinc/98/51/08/528985108.db2.gz WFZVNKLQZZPQFI-NSHDSACASA-N 0 3 323.368 2.438 20 5 DEBDHN CCN1CCN(CC(C)(C)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000450925222 535674674 /nfs/dbraw/zinc/67/46/74/535674674.db2.gz XAPBZKPOWMEFTG-UHFFFAOYSA-N 0 3 306.410 2.423 20 5 DEBDHN CCc1nn(C)c(NC[C@H]2NCCc3ccccc32)c1[N+](=O)[O-] ZINC000261845839 536182035 /nfs/dbraw/zinc/18/20/35/536182035.db2.gz JASIRRYKJSYEDT-CQSZACIVSA-N 0 3 315.377 2.190 20 5 DEBDHN NC(=O)C1(CNCc2ccc(Cl)cc2[N+](=O)[O-])CCCC1 ZINC000893349737 625593275 /nfs/dbraw/zinc/59/32/75/625593275.db2.gz BHNQOQXMQMBBMJ-UHFFFAOYSA-N 0 3 311.769 2.384 20 5 DEBDHN CCc1ccc(C(=O)N[C@@]2(C)CN3CCC2CC3)cc1[N+](=O)[O-] ZINC000892778438 625597398 /nfs/dbraw/zinc/59/73/98/625597398.db2.gz KYLPJPBZHBFNOR-KRWDZBQOSA-N 0 3 317.389 2.371 20 5 DEBDHN Cc1ccc(CN2CCC[C@H](C3OCCO3)C2)cc1[N+](=O)[O-] ZINC000179368716 625625621 /nfs/dbraw/zinc/62/56/21/625625621.db2.gz KHHRDMIGYIYNCX-AWEZNQCLSA-N 0 3 306.362 2.488 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@]1(C)CCOc2ccccc21 ZINC000933367989 624189024 /nfs/dbraw/zinc/18/90/24/624189024.db2.gz CLILDBHVOBIOAE-MRXNPFEDSA-N 0 3 316.361 2.387 20 5 DEBDHN COc1c([O-])ccc(C[NH2+]CC[C@@H]2CCCCO2)c1[N+](=O)[O-] ZINC000893479463 633840507 /nfs/dbraw/zinc/84/05/07/633840507.db2.gz PWKLEZICZXIBQM-LBPRGKRZSA-N 0 3 310.350 2.358 20 5 DEBDHN Cn1nnc2c1C[C@H](NCc1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC000922993651 636900529 /nfs/dbraw/zinc/90/05/29/636900529.db2.gz KIMKOIYNOIBIGT-SNVBAGLBSA-N 0 3 321.768 2.024 20 5 DEBDHN Cc1cc(Cl)c(C(=O)N[C@H]2CCN(C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000928431062 637165536 /nfs/dbraw/zinc/16/55/36/637165536.db2.gz BDCHDOQTOPKTQO-SKDRFNHKSA-N 0 3 311.769 2.379 20 5 DEBDHN COc1c([O-])ccc(C[NH2+]CCc2ccc(C)cn2)c1[N+](=O)[O-] ZINC000894806719 637218741 /nfs/dbraw/zinc/21/87/41/637218741.db2.gz IYJGSHZRMLYYNM-UHFFFAOYSA-N 0 3 317.345 2.345 20 5 DEBDHN COc1c(O)ccc(CNCCc2ccc(C)cn2)c1[N+](=O)[O-] ZINC000894806719 637218749 /nfs/dbraw/zinc/21/87/49/637218749.db2.gz IYJGSHZRMLYYNM-UHFFFAOYSA-N 0 3 317.345 2.345 20 5 DEBDHN CC(C)(NCCC(=O)N1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000839023002 637758154 /nfs/dbraw/zinc/75/81/54/637758154.db2.gz CDZCDKDRPWQPKV-UHFFFAOYSA-N 0 3 305.378 2.432 20 5 DEBDHN CCO[C@H](CNc1cccc([N+](=O)[O-])c1C(C)=O)CN(C)C ZINC000896110081 638367071 /nfs/dbraw/zinc/36/70/71/638367071.db2.gz RGTMJOAMKWBDIK-GFCCVEGCSA-N 0 3 309.366 2.176 20 5 DEBDHN COC(=O)N1CCC[C@H](N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000749841333 638687309 /nfs/dbraw/zinc/68/73/09/638687309.db2.gz WFEKFEGVWHRCPA-YPMHNXCESA-N 0 3 307.350 2.476 20 5 DEBDHN C[C@@H]1CN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1C ZINC000751932245 639136810 /nfs/dbraw/zinc/13/68/10/639136810.db2.gz ZGDPQYAJMZMOFR-VXGBXAGGSA-N 0 3 301.350 2.399 20 5 DEBDHN CN(C)CCN(C(=O)CCc1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000898017335 641001807 /nfs/dbraw/zinc/00/18/07/641001807.db2.gz LKGXORAFXRGKEG-UHFFFAOYSA-N 0 3 323.368 2.219 20 5 DEBDHN CCOc1ccc([C@H](C)NCC[S@](=O)CC)cc1[N+](=O)[O-] ZINC000768103391 641051498 /nfs/dbraw/zinc/05/14/98/641051498.db2.gz FAGRPPZEUFQQNW-WIUDPPPLSA-N 0 3 314.407 2.413 20 5 DEBDHN COCC1(C)CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000773727505 641816364 /nfs/dbraw/zinc/81/63/64/641816364.db2.gz MMUDUIVMVFKFSG-OAHLLOKOSA-N 0 3 308.378 2.377 20 5 DEBDHN C[C@@H]1CCCN1CCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000783914662 643067599 /nfs/dbraw/zinc/06/75/99/643067599.db2.gz BLSBVRDDQBORNL-SNVBAGLBSA-N 0 3 311.769 2.462 20 5 DEBDHN C[C@H]1CCCN1CCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783918042 643068739 /nfs/dbraw/zinc/06/87/39/643068739.db2.gz CLUIUSGQXCIDDT-JTQLQIEISA-N 0 3 311.769 2.462 20 5 DEBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC([C@H]3CCOC3)CC2)cc1 ZINC000784343801 643127337 /nfs/dbraw/zinc/12/73/37/643127337.db2.gz PETBYTWZBRMULR-DOTOQJQBSA-N 0 3 320.389 2.377 20 5 DEBDHN COc1cc([C@H](C)NC[C@]2(OC)CCOC2)cc([N+](=O)[O-])c1 ZINC000903151766 643274518 /nfs/dbraw/zinc/27/45/18/643274518.db2.gz JWHXZCPHMRZTNF-XHDPSFHLSA-N 0 3 310.350 2.060 20 5 DEBDHN COc1cc([C@H](C)NC[C@@H]2C[C@@H]3COC[C@@H]3O2)cc([N+](=O)[O-])c1 ZINC000903223897 643295442 /nfs/dbraw/zinc/29/54/42/643295442.db2.gz MAHZTRWBAZLUGK-VVBGDLBDSA-N 0 3 322.361 2.058 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000903288423 643312262 /nfs/dbraw/zinc/31/22/62/643312262.db2.gz XTFKDUYPFCRHCU-MSHNEEPSSA-N 0 3 304.346 2.430 20 5 DEBDHN O=C(COc1ccccc1[N+](=O)[O-])OCCN1CCCCC1 ZINC000789982725 643799730 /nfs/dbraw/zinc/79/97/30/643799730.db2.gz PQAMNBQALCDMKH-UHFFFAOYSA-N 0 3 308.334 2.003 20 5 DEBDHN Cc1nc([C@@H]2CCCOC2)sc1C(=O)OCC(C)[N+](=O)[O-] ZINC000797277527 644863922 /nfs/dbraw/zinc/86/39/22/644863922.db2.gz BCSWRBXUOCWAER-WCBMZHEXSA-N 0 3 314.363 2.168 20 5 DEBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000843819209 651035631 /nfs/dbraw/zinc/03/56/31/651035631.db2.gz TUYKVKPMVNTJKZ-GXSJLCMTSA-N 0 3 321.352 2.397 20 5 DEBDHN COCCN1CCC(Nc2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804376951 645762672 /nfs/dbraw/zinc/76/26/72/645762672.db2.gz NYZDMJUTVVPPEC-UHFFFAOYSA-N 0 3 324.337 2.026 20 5 DEBDHN CC(C)CC(=O)N[C@H](C(=O)OCC(C)[N+](=O)[O-])c1ccccc1 ZINC000813101977 646728355 /nfs/dbraw/zinc/72/83/55/646728355.db2.gz MHCFTXUFXUPSCG-WFASDCNBSA-N 0 3 322.361 2.098 20 5 DEBDHN CC(=O)Nc1ccc(Cl)c(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813109898 646730494 /nfs/dbraw/zinc/73/04/94/646730494.db2.gz QBOBAURDPOAOEN-ZETCQYMHSA-N 0 3 300.698 2.120 20 5 DEBDHN CC(COC(=O)CCC(=O)c1ccc(F)cc1F)[N+](=O)[O-] ZINC000813107950 646730606 /nfs/dbraw/zinc/73/06/06/646730606.db2.gz RXYXNKLLHYCWJO-MRVPVSSYSA-N 0 3 301.245 2.136 20 5 DEBDHN Cc1nn(CC(=O)OCC(C)[N+](=O)[O-])cc1-c1ccccc1 ZINC000813112439 646731179 /nfs/dbraw/zinc/73/11/79/646731179.db2.gz HEGRXKIBDMSDJK-NSHDSACASA-N 0 3 303.318 2.067 20 5 DEBDHN CC(COC(=O)COc1cccc(Br)c1)[N+](=O)[O-] ZINC000813110961 646731341 /nfs/dbraw/zinc/73/13/41/646731341.db2.gz MYWQUMAUNQXGDV-QMMMGPOBSA-N 0 3 318.123 2.036 20 5 DEBDHN CCOc1ccc(C(=O)CCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813115059 646732647 /nfs/dbraw/zinc/73/26/47/646732647.db2.gz JXYPFDLMZXTWRL-NSHDSACASA-N 0 3 309.318 2.257 20 5 DEBDHN C[C@@H](NC(=O)N[C@@H]1CCCN(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000914315129 647260395 /nfs/dbraw/zinc/26/03/95/647260395.db2.gz LILHZIXDDGVLSU-DGCLKSJQSA-N 0 3 306.366 2.049 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCN1CCC[C@H]1C ZINC000817751799 647354299 /nfs/dbraw/zinc/35/42/99/647354299.db2.gz JKEWYEZXHNZSRP-CYBMUJFWSA-N 0 3 305.378 2.426 20 5 DEBDHN CCc1ccnc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000819285144 647626543 /nfs/dbraw/zinc/62/65/43/647626543.db2.gz DLKXXWFSPIGOBR-MRXNPFEDSA-N 0 3 301.346 2.375 20 5 DEBDHN CN1C[C@@H]2CCCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000819717168 647714892 /nfs/dbraw/zinc/71/48/92/647714892.db2.gz BRJVQRLURJOJGL-IINYFYTJSA-N 0 3 323.780 2.414 20 5 DEBDHN Cc1cc(NC(=O)N2CC[C@H]3CN(C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000917027952 647956586 /nfs/dbraw/zinc/95/65/86/647956586.db2.gz PZCLMONOWBGFIN-FZMZJTMJSA-N 0 3 304.350 2.071 20 5 DEBDHN CC(C)CN(C(=O)CCC(C)(C)[N+](=O)[O-])C1CCN(C)CC1 ZINC000823311227 648393369 /nfs/dbraw/zinc/39/33/69/648393369.db2.gz ZVVRJSQBWQXLDH-UHFFFAOYSA-N 0 3 313.442 2.401 20 5 DEBDHN C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2F)CN1C1CC1 ZINC000829863579 649366524 /nfs/dbraw/zinc/36/65/24/649366524.db2.gz PUUGUIMRZPCTIG-NXEZZACHSA-N 0 3 307.325 2.089 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)CN1CCCC1 ZINC000845668782 651268613 /nfs/dbraw/zinc/26/86/13/651268613.db2.gz DBLFOGAUVYPRBQ-NSHDSACASA-N 0 3 308.334 2.245 20 5 DEBDHN CC([C@H](OC(=O)[C@@H]1CCC(=O)C1)c1ccccc1F)[N+](=O)[O-] ZINC000845875788 651291162 /nfs/dbraw/zinc/29/11/62/651291162.db2.gz CKQDCVOEGLMVKY-RULNRJAQSA-N 0 3 309.293 2.444 20 5 DEBDHN CCn1nncc1C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845884568 651291937 /nfs/dbraw/zinc/29/19/37/651291937.db2.gz ZQSYDCMNCZTVPE-ZANVPECISA-N 0 3 322.296 2.000 20 5 DEBDHN Cn1ncc(C2CC2)c1CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000849329291 651650175 /nfs/dbraw/zinc/65/01/75/651650175.db2.gz FHLFTQNMRDBRBE-MRXNPFEDSA-N 0 3 316.361 2.029 20 5 DEBDHN COCCN1CCC[C@H]1COC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000861034178 685987765 /nfs/dbraw/zinc/98/77/65/685987765.db2.gz KBSFNXCVOFGWIZ-AWEZNQCLSA-N 0 3 322.361 2.171 20 5 DEBDHN CC(C)N1CC[C@@H](N[C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1=O ZINC000866297924 687526640 /nfs/dbraw/zinc/52/66/40/687526640.db2.gz PGUIDSCYGWLEOE-BXUZGUMPSA-N 0 3 323.368 2.264 20 5 DEBDHN COCC[C@H](CO)N[C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872070395 688921927 /nfs/dbraw/zinc/92/19/27/688921927.db2.gz ZHTABSBUNJXWBN-WDEREUQCSA-N 0 3 314.407 2.365 20 5 DEBDHN C[C@H](NCCCc1cnn(C)n1)c1c(F)cccc1[N+](=O)[O-] ZINC000872072495 688922408 /nfs/dbraw/zinc/92/24/08/688922408.db2.gz HGERDOIWAJTONX-JTQLQIEISA-N 0 3 307.329 2.146 20 5 DEBDHN C[C@@H](NC[C@H]1CC(=O)N(C2CC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872083172 688924331 /nfs/dbraw/zinc/92/43/31/688924331.db2.gz IJPMAUWKIUUWCN-GHMZBOCLSA-N 0 3 321.352 2.395 20 5 DEBDHN Cc1c(CN[C@@H](CO)C[C@@H](O)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000873123848 689163274 /nfs/dbraw/zinc/16/32/74/689163274.db2.gz MRXLWJCYYASZKQ-UKRRQHHQSA-N 0 3 310.394 2.151 20 5 DEBDHN Cc1cc(C(=O)N2CC[C@@H]3[C@H]2CCCN3C)ccc1[N+](=O)[O-] ZINC000874849596 689517964 /nfs/dbraw/zinc/51/79/64/689517964.db2.gz KGNXVPYRBCBKOD-HUUCEWRRSA-N 0 3 303.362 2.212 20 5 DEBDHN COC(=O)C[C@](C)(NCc1cc([N+](=O)[O-])ccc1OC)C1CC1 ZINC000879438546 690641455 /nfs/dbraw/zinc/64/14/55/690641455.db2.gz JIFAJIVJBUSTPD-INIZCTEOSA-N 0 3 322.361 2.425 20 5 DEBDHN O=C1NCCC12CCN(Cc1ccc(Cl)cc1[N+](=O)[O-])CC2 ZINC000879918274 690754294 /nfs/dbraw/zinc/75/42/94/690754294.db2.gz YNTQXHUGINKFBI-UHFFFAOYSA-N 0 3 323.780 2.350 20 5 DEBDHN O=[N+]([O-])c1ccccc1N1CCN(C[C@H]2C[C@]23CCOC3)CC1 ZINC000885948883 691969376 /nfs/dbraw/zinc/96/93/76/691969376.db2.gz IPGUJXRYPPTIHG-PBHICJAKSA-N 0 3 317.389 2.143 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)[C@@H](CO)c1ccccc1C ZINC000886445164 692084330 /nfs/dbraw/zinc/08/43/30/692084330.db2.gz YKXYHOMQIUBUMM-HNNXBMFYSA-N 0 3 318.377 2.074 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCN1CCC(C)(C)C1 ZINC000890078762 692856988 /nfs/dbraw/zinc/85/69/88/692856988.db2.gz KADDCSBPEOLBMU-UHFFFAOYSA-N 0 3 305.378 2.365 20 5 DEBDHN COc1c(O)ccc(CN[C@H]2C[C@@H](OC)C23CCC3)c1[N+](=O)[O-] ZINC000894858440 692989668 /nfs/dbraw/zinc/98/96/68/692989668.db2.gz GJCFJVCHHVEOQX-QWHCGFSZSA-N 0 3 322.361 2.356 20 5 DEBDHN COc1c([O-])ccc(C[NH2+][C@H]2C[C@@H](OC)C23CCC3)c1[N+](=O)[O-] ZINC000894858440 692989673 /nfs/dbraw/zinc/98/96/73/692989673.db2.gz GJCFJVCHHVEOQX-QWHCGFSZSA-N 0 3 322.361 2.356 20 5 DEBDHN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CCN1C1CCCC1 ZINC001350603316 1151373922 /nfs/dbraw/zinc/37/39/22/1151373922.db2.gz RJVDTMIVWIKVCQ-LLVKDONJSA-N 0 3 306.366 2.012 20 5 DEBDHN C[C@@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)[C@@H](C)CN1C ZINC000611713171 719188993 /nfs/dbraw/zinc/18/89/93/719188993.db2.gz ZARQYXSQFVXARZ-MNOVXSKESA-N 0 3 301.350 2.067 20 5 DEBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCOCCCO ZINC001332278885 1149843798 /nfs/dbraw/zinc/84/37/98/1149843798.db2.gz SEFBUOTUDGVACV-LLVKDONJSA-N 0 3 314.407 2.366 20 5 DEBDHN CCN(CCNc1ccccc1[N+](=O)[O-])C(=O)CN(C)C(C)C ZINC001106778694 782930677 /nfs/dbraw/zinc/93/06/77/782930677.db2.gz GSTWXVZPZVDAAN-UHFFFAOYSA-N 0 3 322.409 2.195 20 5 DEBDHN CC1(C)C(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001125313748 776692846 /nfs/dbraw/zinc/69/28/46/776692846.db2.gz QCIUTYPKJFXKOY-UHFFFAOYSA-N 0 3 319.405 2.483 20 5 DEBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](n2nc(C(F)(F)F)c3c2CCNC3)C1 ZINC001169038853 785013385 /nfs/dbraw/zinc/01/33/85/785013385.db2.gz KZNMFEWHNQXLDV-RKDXNWHRSA-N 0 3 318.299 2.166 20 5 DEBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2CCOC[C@H]2Cc2ccccc2)C1 ZINC001169050406 785022188 /nfs/dbraw/zinc/02/21/88/785022188.db2.gz ZIJKYKCMARNDHW-YESZJQIVSA-N 0 3 304.390 2.375 20 5 DEBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CC[C@H](N3CCCCC3)[C@@H](F)C2)C1 ZINC001169051942 785022490 /nfs/dbraw/zinc/02/24/90/785022490.db2.gz DPJGTFKWUHYOOT-UGUYLWEFSA-N 0 3 313.417 2.330 20 5 DEBDHN CC(C)N(C)CC(=O)N(C)CCCNc1ccc([N+](=O)[O-])cc1 ZINC001109463368 785888932 /nfs/dbraw/zinc/88/89/32/785888932.db2.gz DJSXLUNKBCWHIQ-UHFFFAOYSA-N 0 3 322.409 2.195 20 5 DEBDHN COc1c(O)ccc(CN[C@H]2CCCC[C@@H]2OC)c1[N+](=O)[O-] ZINC001333761334 1150088379 /nfs/dbraw/zinc/08/83/79/1150088379.db2.gz DFURTDZPTNCRPN-AAEUAGOBSA-N 0 3 310.350 2.356 20 5 DEBDHN COc1c([O-])ccc(C[NH2+][C@H]2CCCC[C@@H]2OC)c1[N+](=O)[O-] ZINC001333761334 1150088383 /nfs/dbraw/zinc/08/83/83/1150088383.db2.gz DFURTDZPTNCRPN-AAEUAGOBSA-N 0 3 310.350 2.356 20 5 DEBDHN CC(C)NC(=O)[C@@H](Nc1cc2c(cc1[N+](=O)[O-])CNC2)C(C)C ZINC001170192551 786835080 /nfs/dbraw/zinc/83/50/80/786835080.db2.gz OPBARNZZDNHUTC-HNNXBMFYSA-N 0 3 320.393 2.159 20 5 DEBDHN COc1ccc(C[C@H](C)N2CC[C@@H](O)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001170329864 786911086 /nfs/dbraw/zinc/91/10/86/786911086.db2.gz WFMJPQLVFMNIOP-BFQNTYOBSA-N 0 3 308.378 2.237 20 5 DEBDHN COc1ccc(C[C@@H](C)N[C@H]2CCOC[C@@H]2F)c([N+](=O)[O-])c1 ZINC001170328852 786911393 /nfs/dbraw/zinc/91/13/93/786911393.db2.gz WOBSSDJLECDIDM-SWHYSGLUSA-N 0 3 312.341 2.251 20 5 DEBDHN COc1ccc(C[C@@H](C)N2CC[C@@H](C)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC001170335997 786914025 /nfs/dbraw/zinc/91/40/25/786914025.db2.gz SVZNQVSGYNZHHG-XHBSWPGZSA-N 0 3 308.378 2.237 20 5 DEBDHN COc1ccc(C[C@@H](C)NCc2cc(C)n(C)n2)c([N+](=O)[O-])c1 ZINC001170307222 786915494 /nfs/dbraw/zinc/91/54/94/786915494.db2.gz FSKPCAJXQQJGHJ-LLVKDONJSA-N 0 3 318.377 2.366 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCN3CC[C@H]3C2)c1F ZINC001173194585 793625107 /nfs/dbraw/zinc/62/51/07/793625107.db2.gz VWJKCBWIJAZPRT-NEPJUHHUSA-N 0 3 323.368 2.063 20 5 DEBDHN Nc1cc(N2CCN(C3CCCCC3)CC2)ncc1[N+](=O)[O-] ZINC001120909254 795556758 /nfs/dbraw/zinc/55/67/58/795556758.db2.gz DTTABQSLPSAIQE-UHFFFAOYSA-N 0 3 305.382 2.027 20 5 DEBDHN Cc1c(CC(=O)NC[C@@H]2CCCCN2C)cccc1[N+](=O)[O-] ZINC001121154090 795596653 /nfs/dbraw/zinc/59/66/53/795596653.db2.gz GKKKTOJQSKBONP-AWEZNQCLSA-N 0 3 305.378 2.046 20 5 DEBDHN O=C(NCCCNCc1csc([N+](=O)[O-])c1)c1ccco1 ZINC001154211799 797486345 /nfs/dbraw/zinc/48/63/45/797486345.db2.gz STEHIQPZJMZTBZ-UHFFFAOYSA-N 0 3 309.347 2.159 20 5 DEBDHN C[C@H](N)c1nc2ccccc2n1-c1ncc([N+](=O)[O-])cc1F ZINC001155247247 797716611 /nfs/dbraw/zinc/71/66/11/797716611.db2.gz DXTHUOPCPFVEEI-QMMMGPOBSA-N 0 3 301.281 2.488 20 5 DEBDHN NCc1nn(-c2ncnc3cc([N+](=O)[O-])ccc32)c2ccccc12 ZINC001156855691 798095818 /nfs/dbraw/zinc/09/58/18/798095818.db2.gz MEKPSJDSWFRRDR-UHFFFAOYSA-N 0 3 320.312 2.336 20 5 DEBDHN Cc1cc[nH]c1C(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001157331336 798184501 /nfs/dbraw/zinc/18/45/01/798184501.db2.gz UYGPUTJNQPBVQO-UHFFFAOYSA-N 0 3 322.390 2.203 20 5 DEBDHN COc1cccc(CCNc2cc3c(cc2[N+](=O)[O-])CNC3)n1 ZINC001162746295 799164988 /nfs/dbraw/zinc/16/49/88/799164988.db2.gz SEMNRXYZGMENMA-UHFFFAOYSA-N 0 3 314.345 2.256 20 5 DEBDHN O=C(NCCC1(CNCc2csc([N+](=O)[O-])c2)CC1)C1CC1 ZINC001163092233 799243196 /nfs/dbraw/zinc/24/31/96/799243196.db2.gz GGDPFLWJKTYQQF-UHFFFAOYSA-N 0 3 323.418 2.442 20 5 DEBDHN CNc1cc([N+](=O)[O-])cnc1N[C@@H]1CNCc2ccsc21 ZINC001163220342 799281155 /nfs/dbraw/zinc/28/11/55/799281155.db2.gz CLOSWCIDGBHTMZ-LLVKDONJSA-N 0 3 305.363 2.349 20 5 DEBDHN Cc1cocc1C(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001164098140 799510039 /nfs/dbraw/zinc/51/00/39/799510039.db2.gz RYPXGGJALIIOBA-UHFFFAOYSA-N 0 3 317.345 2.406 20 5 DEBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CCOC23CCOCC3)c(F)c1 ZINC000934404823 800344080 /nfs/dbraw/zinc/34/40/80/800344080.db2.gz FMVNEQHWMRUPSV-CQSZACIVSA-N 0 3 310.325 2.162 20 5 DEBDHN COCCN1CCC(Oc2nc(Cl)ccc2[N+](=O)[O-])CC1 ZINC001226364178 803098343 /nfs/dbraw/zinc/09/83/43/803098343.db2.gz GKLJPZRAQHFBAY-UHFFFAOYSA-N 0 3 315.757 2.133 20 5 DEBDHN C[C@@H]1CC[C@H](C)C[N@H+]1Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603874807 1070131691 /nfs/dbraw/zinc/13/16/91/1070131691.db2.gz PWPTWRLHXODCMA-WDEREUQCSA-N 0 3 316.365 2.395 20 5 DEBDHN C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603874807 1070131698 /nfs/dbraw/zinc/13/16/98/1070131698.db2.gz PWPTWRLHXODCMA-WDEREUQCSA-N 0 3 316.365 2.395 20 5 DEBDHN CC(C)C1(O)CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC001460956394 1058548842 /nfs/dbraw/zinc/54/88/42/1058548842.db2.gz WHGXCODQTNOTTB-UHFFFAOYSA-N 0 3 308.378 2.457 20 5 DEBDHN CC(C)N1CCC[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC001638144962 1078551500 /nfs/dbraw/zinc/55/15/00/1078551500.db2.gz CKJGZJSBQUHTMG-CYBMUJFWSA-N 0 3 309.341 2.337 20 5 DEBDHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)CC1CCC1 ZINC001267359503 1078791705 /nfs/dbraw/zinc/79/17/05/1078791705.db2.gz NMCJNRYVVFYLOU-UHFFFAOYSA-N 0 3 305.378 2.333 20 5 DEBDHN Cc1ccc(C(=O)N(C)CCNCc2ccc([N+](=O)[O-])cc2)o1 ZINC001481203734 1079353659 /nfs/dbraw/zinc/35/36/59/1079353659.db2.gz FTTPIELSGSAKMB-UHFFFAOYSA-N 0 3 317.345 2.358 20 5 DEBDHN O=C(Nc1ccnc([C@@H]2CCCN2)n1)c1csc([N+](=O)[O-])c1 ZINC001580785436 1075995049 /nfs/dbraw/zinc/99/50/49/1075995049.db2.gz OQFSZOAIBBXJOK-VIFPVBQESA-N 0 3 319.346 2.123 20 5 DEBDHN CC(C)[C@H]1CC[N@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001589508516 1076494854 /nfs/dbraw/zinc/49/48/54/1076494854.db2.gz BEEQBFRLCDCVHG-NSHDSACASA-N 0 3 316.365 2.253 20 5 DEBDHN CC(C)[C@H]1CC[N@@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001589508516 1076494856 /nfs/dbraw/zinc/49/48/56/1076494856.db2.gz BEEQBFRLCDCVHG-NSHDSACASA-N 0 3 316.365 2.253 20 5 DEBDHN CC(C)[C@H]1CC[N@H+](Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001589508516 1076494860 /nfs/dbraw/zinc/49/48/60/1076494860.db2.gz BEEQBFRLCDCVHG-NSHDSACASA-N 0 3 316.365 2.253 20 5 DEBDHN CC(C)[C@H]1CC[N@@H+](Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001589508516 1076494863 /nfs/dbraw/zinc/49/48/63/1076494863.db2.gz BEEQBFRLCDCVHG-NSHDSACASA-N 0 3 316.365 2.253 20 5 DEBDHN COCCC(C)(C)C[NH2+]Cc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC001620897239 1076742163 /nfs/dbraw/zinc/74/21/63/1076742163.db2.gz XVQSEQGJMYSOBU-UHFFFAOYSA-N 0 3 312.366 2.461 20 5 DEBDHN COc1ccc(C[C@@H]2CCN2CCn2ccc([N+](=O)[O-])n2)cc1 ZINC001657534654 1080177311 /nfs/dbraw/zinc/17/73/11/1080177311.db2.gz FWFZXCKZISNZLO-AWEZNQCLSA-N 0 3 316.361 2.117 20 5 DEBDHN COc1ccc(C[C@H]2CCN2CCn2ccc([N+](=O)[O-])n2)cc1 ZINC001657534655 1080177627 /nfs/dbraw/zinc/17/76/27/1080177627.db2.gz FWFZXCKZISNZLO-CQSZACIVSA-N 0 3 316.361 2.117 20 5 DEBDHN COc1cc(CNC[C@H](O)CC(C)(C)C)c([N+](=O)[O-])cc1O ZINC001661445039 1080482229 /nfs/dbraw/zinc/48/22/29/1080482229.db2.gz HJWDXFUDNQVXOB-LLVKDONJSA-N 0 3 312.366 2.196 20 5 DEBDHN O=[N+]([O-])c1cnn(CCNCc2cc3cc(Cl)cnc3o2)c1 ZINC001661792046 1080523905 /nfs/dbraw/zinc/52/39/05/1080523905.db2.gz AZZKQQCMUSSMEQ-UHFFFAOYSA-N 0 3 321.724 2.376 20 5 DEBDHN CCOC(=O)[C@H]1CCN([C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254560085 1143248366 /nfs/dbraw/zinc/24/83/66/1143248366.db2.gz OZXZVNOAYDSEFY-OCCSQVGLSA-N 0 3 306.362 2.411 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CCN3CCCC[C@@H]3C1)C2 ZINC001254600780 1143274467 /nfs/dbraw/zinc/27/44/67/1143274467.db2.gz RLZCUCVMHZYYNN-SJORKVTESA-N 0 3 301.390 2.232 20 5 DEBDHN CC(C)(C)N1CCN(c2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC001261850170 1144278787 /nfs/dbraw/zinc/27/87/87/1144278787.db2.gz BJASSRMYTILCLW-UHFFFAOYSA-N 0 3 311.357 2.147 20 5 DEBDHN CN(C)CCONC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001328383074 1147567051 /nfs/dbraw/zinc/56/70/51/1147567051.db2.gz PLZWTJVIVDPLRA-UHFFFAOYSA-N 0 3 322.148 2.125 20 5 DEBDHN CCc1nncn1CCN[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000151530729 282119128 /nfs/dbraw/zinc/11/91/28/282119128.db2.gz PFFMWANCCSSSQD-CQSZACIVSA-N 0 3 303.366 2.490 20 5 DEBDHN Cc1nc2n(n1)C[C@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])CC2 ZINC000266522596 282126189 /nfs/dbraw/zinc/12/61/89/282126189.db2.gz ZVADRBWBZFYRDZ-CMPLNLGQSA-N 0 3 301.350 2.160 20 5 DEBDHN COc1ccc(OCCN2CCC[C@@H]2C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000152953127 282158412 /nfs/dbraw/zinc/15/84/12/282158412.db2.gz CVTYBYXETKGCOZ-CHWSQXEVSA-N 0 3 324.377 2.218 20 5 DEBDHN CN(C[C@@H]1CCCN1C)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000092627306 185330300 /nfs/dbraw/zinc/33/03/00/185330300.db2.gz KQUSKYYJAZLDCY-NSHDSACASA-N 0 3 311.769 2.414 20 5 DEBDHN Cc1ccc(C(=O)N[C@H](C)C2=CCN(C)CC2)cc1[N+](=O)[O-] ZINC000272811990 210212965 /nfs/dbraw/zinc/21/29/65/210212965.db2.gz WFKVMJSVNLVQMB-GFCCVEGCSA-N 0 3 303.362 2.283 20 5 DEBDHN C[C@@H]1C[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)CCN1C ZINC000331328143 233083894 /nfs/dbraw/zinc/08/38/94/233083894.db2.gz QNJUHYDQOZIAMK-TZMCWYRMSA-N 0 3 305.378 2.126 20 5 DEBDHN CN(C)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000152752059 186099181 /nfs/dbraw/zinc/09/91/81/186099181.db2.gz SHIRBCABWFYTDU-NSHDSACASA-N 0 3 311.769 2.414 20 5 DEBDHN O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@H](N2CCCC2)C1 ZINC000171439560 186160246 /nfs/dbraw/zinc/16/02/46/186160246.db2.gz OENAKDCPEQSNEW-LBPRGKRZSA-N 0 3 307.325 2.044 20 5 DEBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC[C@H](O)C3)o2)c1 ZINC000264258698 186330346 /nfs/dbraw/zinc/33/03/46/186330346.db2.gz LTQAUFDQQICVCK-AWEZNQCLSA-N 0 3 317.345 2.249 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCCN(C(C)C)C1 ZINC000277164616 213338604 /nfs/dbraw/zinc/33/86/04/213338604.db2.gz RANFIXVJFYVYFQ-LBPRGKRZSA-N 0 3 321.377 2.206 20 5 DEBDHN COc1ccc(CN(C2CC2)C2(CO)CCC2)cc1[N+](=O)[O-] ZINC000595537175 358477506 /nfs/dbraw/zinc/47/75/06/358477506.db2.gz ACYMELXUNAJHNS-UHFFFAOYSA-N 0 3 306.362 2.483 20 5 DEBDHN COc1cccc([C@H](CNc2c([N+](=O)[O-])ncn2C)N(C)C)c1 ZINC000008337559 354012747 /nfs/dbraw/zinc/01/27/47/354012747.db2.gz CNAFHUHYAZBYEH-ZDUSSCGKSA-N 0 3 319.365 2.052 20 5 DEBDHN CCN1CCN(C[C@@H](C)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000060380209 354612128 /nfs/dbraw/zinc/61/21/28/354612128.db2.gz PDQQIGAVAAQTAO-AWEZNQCLSA-N 0 3 306.410 2.280 20 5 DEBDHN CC(C)N1CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000068800295 354832992 /nfs/dbraw/zinc/83/29/92/354832992.db2.gz HMHIPWKUTRPYRK-UHFFFAOYSA-N 0 3 305.378 2.080 20 5 DEBDHN Cn1cnc([N+](=O)[O-])c1NC1CCN(Cc2ccccc2)CC1 ZINC000070789680 354887600 /nfs/dbraw/zinc/88/76/00/354887600.db2.gz XWLZUUFJUVENKR-UHFFFAOYSA-N 0 3 315.377 2.405 20 5 DEBDHN CNc1ccc(C(=O)N(C)CC2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000077563623 355212751 /nfs/dbraw/zinc/21/27/51/355212751.db2.gz LCYUDTSPDXATRE-UHFFFAOYSA-N 0 3 320.393 2.050 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CCCN(C)C1 ZINC000123176926 355803657 /nfs/dbraw/zinc/80/36/57/355803657.db2.gz OGVGRNRAJVCDFY-LLVKDONJSA-N 0 3 322.365 2.067 20 5 DEBDHN CC[C@H](NCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CCCO1 ZINC000182316692 356120823 /nfs/dbraw/zinc/12/08/23/356120823.db2.gz OJICPKPPTWJLAB-ZFWWWQNUSA-N 0 3 321.377 2.389 20 5 DEBDHN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H]1CCCCN1 ZINC000237257548 202207398 /nfs/dbraw/zinc/20/73/98/202207398.db2.gz PPUUPCBCDBUTPB-CYBMUJFWSA-N 0 3 311.769 2.349 20 5 DEBDHN O=[N+]([O-])c1cccc(F)c1NC1CCN([C@H]2CCOC2)CC1 ZINC000588002837 357386360 /nfs/dbraw/zinc/38/63/60/357386360.db2.gz TTWJFFFYWFVALJ-LBPRGKRZSA-N 0 3 309.341 2.399 20 5 DEBDHN C[C@@H]1C[C@H](CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@H](C)O1 ZINC000591265385 357697004 /nfs/dbraw/zinc/69/70/04/357697004.db2.gz HFECWTKFKUASHB-GRYCIOLGSA-N 0 3 322.361 2.269 20 5 DEBDHN CC[C@H](C)C[C@H](CO)NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000592375066 357868671 /nfs/dbraw/zinc/86/86/71/357868671.db2.gz PWDKZJVRUXGHQV-WCQYABFASA-N 0 3 324.377 2.253 20 5 DEBDHN CCCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C)C1 ZINC000592833316 357954413 /nfs/dbraw/zinc/95/44/13/357954413.db2.gz YLSGOTOARFORNS-HNNXBMFYSA-N 0 3 305.378 2.080 20 5 DEBDHN CC(C)N1CC[C@H](N(C)C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593171122 358026499 /nfs/dbraw/zinc/02/64/99/358026499.db2.gz SFBFBHNQYXERBP-AWEZNQCLSA-N 0 3 323.368 2.218 20 5 DEBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC1CCN(C2CC2)CC1 ZINC000593395294 358068789 /nfs/dbraw/zinc/06/87/89/358068789.db2.gz SKTYYZRNPXMKGV-UHFFFAOYSA-N 0 3 321.352 2.019 20 5 DEBDHN CC[C@H](CN1CCCC1)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593473389 358086810 /nfs/dbraw/zinc/08/68/10/358086810.db2.gz BXHQIIPLINAKCV-CQSZACIVSA-N 0 3 323.368 2.267 20 5 DEBDHN C[C@H]1C[C@@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CN1C1CC1 ZINC000593514743 358094883 /nfs/dbraw/zinc/09/48/83/358094883.db2.gz BVCFIMMXSNHZRN-GXFFZTMASA-N 0 3 321.352 2.018 20 5 DEBDHN CN(CCN1CCCCC1)c1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000593515247 358094911 /nfs/dbraw/zinc/09/49/11/358094911.db2.gz DKXXNHLJTNFGCV-UHFFFAOYSA-N 0 3 304.394 2.485 20 5 DEBDHN COc1ccc(C(=O)N(C)CCN2CCCCC2)cc1[N+](=O)[O-] ZINC000593882929 358164211 /nfs/dbraw/zinc/16/42/11/358164211.db2.gz LRFSOAMOHGBSDF-UHFFFAOYSA-N 0 3 321.377 2.161 20 5 DEBDHN Cc1c(C(=O)N(C)CCN2CCCCC2)cccc1[N+](=O)[O-] ZINC000593883401 358164240 /nfs/dbraw/zinc/16/42/40/358164240.db2.gz MRGOFWSGHGSBMA-UHFFFAOYSA-N 0 3 305.378 2.461 20 5 DEBDHN Cn1nnc2c1CC[C@@H](NCc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000594511925 358286234 /nfs/dbraw/zinc/28/62/34/358286234.db2.gz AJKQPCROGASJIG-SNVBAGLBSA-N 0 3 321.768 2.024 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCSCCCO ZINC000595013276 358377922 /nfs/dbraw/zinc/37/79/22/358377922.db2.gz RSBQKMXAIGOMRM-NSHDSACASA-N 0 3 314.407 2.370 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCCNC(=O)C(C)C ZINC000595036949 358381055 /nfs/dbraw/zinc/38/10/55/358381055.db2.gz YERIHRSKVYYPLF-GFCCVEGCSA-N 0 3 323.393 2.416 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCCNC(=O)C(C)C ZINC000595036950 358381482 /nfs/dbraw/zinc/38/14/82/358381482.db2.gz YERIHRSKVYYPLF-LBPRGKRZSA-N 0 3 323.393 2.416 20 5 DEBDHN CN(c1ccccc1)[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000595825239 358557047 /nfs/dbraw/zinc/55/70/47/358557047.db2.gz DGBJMIRUECIQIR-HNNXBMFYSA-N 0 3 315.377 2.002 20 5 DEBDHN C[C@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)[C@H]1CCO ZINC000595695343 358525378 /nfs/dbraw/zinc/52/53/78/358525378.db2.gz GWIBQFAVUAUTAK-BBRMVZONSA-N 0 3 308.378 2.457 20 5 DEBDHN CCC(C)(C)N1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596300186 358663390 /nfs/dbraw/zinc/66/33/90/358663390.db2.gz VMAZJIRJXKTCLQ-UHFFFAOYSA-N 0 3 320.393 2.004 20 5 DEBDHN CN1CC[C@]2(C1)CCCN(C(=O)c1ccc(F)cc1[N+](=O)[O-])C2 ZINC000597716656 358987331 /nfs/dbraw/zinc/98/73/31/358987331.db2.gz RHQCIQPVPLQKQO-INIZCTEOSA-N 0 3 321.352 2.292 20 5 DEBDHN C[C@H](CN1CCC(C)CC1)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000598262425 359140306 /nfs/dbraw/zinc/14/03/06/359140306.db2.gz KCIIPHCKPSOBDI-GFCCVEGCSA-N 0 3 320.393 2.027 20 5 DEBDHN C[C@H](CN1CCC(C)CC1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000598264775 359140689 /nfs/dbraw/zinc/14/06/89/359140689.db2.gz QQNIRGIUTUQOCI-CYBMUJFWSA-N 0 3 305.378 2.445 20 5 DEBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000598264782 359141254 /nfs/dbraw/zinc/14/12/54/359141254.db2.gz QQNIRGIUTUQOCI-ZDUSSCGKSA-N 0 3 305.378 2.445 20 5 DEBDHN CC1(C)CC[C@H](CO)N(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000598646186 359274232 /nfs/dbraw/zinc/27/42/32/359274232.db2.gz CPZCIKWABMREPS-CQSZACIVSA-N 0 3 308.378 2.457 20 5 DEBDHN C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C[C@H](C)N1 ZINC000599110339 359405660 /nfs/dbraw/zinc/40/56/60/359405660.db2.gz RIMLLVSDSOAWPW-OCAPTIKFSA-N 0 3 304.272 2.195 20 5 DEBDHN CN(C)CC1(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CCC1 ZINC000281126205 216096269 /nfs/dbraw/zinc/09/62/69/216096269.db2.gz SUZLWEHFFAPTPX-UHFFFAOYSA-N 0 3 311.769 2.462 20 5 DEBDHN CCC[C@H](CCO)NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000601140379 359938730 /nfs/dbraw/zinc/93/87/30/359938730.db2.gz VBCYIRRKEWBSFR-GFCCVEGCSA-N 0 3 310.350 2.007 20 5 DEBDHN CN(CC(=O)NCCOc1ccc([N+](=O)[O-])cc1)CC(C)(C)C ZINC000602097455 360263561 /nfs/dbraw/zinc/26/35/61/360263561.db2.gz OKQDMUZFWKCVBX-UHFFFAOYSA-N 0 3 323.393 2.068 20 5 DEBDHN CC(C)(C)N1C[C@H](NCCc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000602573854 360439379 /nfs/dbraw/zinc/43/93/79/360439379.db2.gz VXPBTCCXMCUEOS-CYBMUJFWSA-N 0 3 305.378 2.126 20 5 DEBDHN CN(C)CC1(NCc2nc3cc([N+](=O)[O-])ccc3o2)CCC1 ZINC000602647435 360474952 /nfs/dbraw/zinc/47/49/52/360474952.db2.gz JUXOHXVJYJLNFL-UHFFFAOYSA-N 0 3 304.350 2.310 20 5 DEBDHN CCCN1CC[C@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602713647 360514078 /nfs/dbraw/zinc/51/40/78/360514078.db2.gz NXYHGOZBDWLWQL-NSHDSACASA-N 0 3 304.350 2.310 20 5 DEBDHN C[C@@H]1OCC[C@@H]1CN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000602763872 360541414 /nfs/dbraw/zinc/54/14/14/360541414.db2.gz TZYGBKCTMMHVDS-UONOGXRCSA-N 0 3 305.378 2.142 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)CCN(C)c1ccccc1 ZINC000602775044 360547168 /nfs/dbraw/zinc/54/71/68/360547168.db2.gz DVKBGGJULUMECE-UHFFFAOYSA-N 0 3 317.393 2.168 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H](OC2CCC2)C1 ZINC000602875256 360603528 /nfs/dbraw/zinc/60/35/28/360603528.db2.gz YLCJDWXTXZEMIT-AWEZNQCLSA-N 0 3 308.382 2.133 20 5 DEBDHN CC[C@@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CCCO1 ZINC000281411351 216281501 /nfs/dbraw/zinc/28/15/01/216281501.db2.gz ODRLBTBWAPGYQB-CYBMUJFWSA-N 0 3 321.377 2.424 20 5 DEBDHN C[C@H](NC[C@@H]1CNc2ccnn2C1)c1ccccc1[N+](=O)[O-] ZINC000619264413 363750974 /nfs/dbraw/zinc/75/09/74/363750974.db2.gz DOSZACOSKKUXEF-NWDGAFQWSA-N 0 3 301.350 2.184 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000609675090 361333984 /nfs/dbraw/zinc/33/39/84/361333984.db2.gz UARPIUTZWNZGTI-OAHLLOKOSA-N 0 3 318.421 2.119 20 5 DEBDHN CC[C@@H](CN1CCCC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000609833255 361341778 /nfs/dbraw/zinc/34/17/78/361341778.db2.gz FHBLDJBCKKZQSZ-AWEZNQCLSA-N 0 3 305.378 2.128 20 5 DEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000610368654 361390763 /nfs/dbraw/zinc/39/07/63/361390763.db2.gz RQYORQGBPKOZSB-XOKHGSTOSA-N 0 3 319.405 2.187 20 5 DEBDHN CO[C@H](CNCc1cc2c(cc1[N+](=O)[O-])OCCO2)C(C)C ZINC000610395494 361392705 /nfs/dbraw/zinc/39/27/05/361392705.db2.gz OGZAYFABNGEAKV-OAHLLOKOSA-N 0 3 310.350 2.127 20 5 DEBDHN C[C@]1(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CCCO1 ZINC000610677936 361443857 /nfs/dbraw/zinc/44/38/57/361443857.db2.gz LVBUGZCBJCZWPI-OAHLLOKOSA-N 0 3 308.334 2.025 20 5 DEBDHN CCN(Cc1cc(OC)c(OC)cc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000611256579 361563102 /nfs/dbraw/zinc/56/31/02/361563102.db2.gz HJERMGAUPAFDJQ-GFCCVEGCSA-N 0 3 324.377 2.470 20 5 DEBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611707658 361663731 /nfs/dbraw/zinc/66/37/31/361663731.db2.gz KGHXADCRSODVGJ-ABAIWWIYSA-N 0 3 315.377 2.314 20 5 DEBDHN Cc1cc(N2CCN(CC(C)(C)O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000275400548 212310829 /nfs/dbraw/zinc/31/08/29/212310829.db2.gz BJQXKCUYIBGVEG-CYBMUJFWSA-N 0 3 307.394 2.185 20 5 DEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCc1ccnc(N(C)C)n1 ZINC000449246263 240244131 /nfs/dbraw/zinc/24/41/31/240244131.db2.gz DCFYWTJZMCLPSO-GFCCVEGCSA-N 0 3 315.377 2.172 20 5 DEBDHN COc1c(CN[C@H](C)Cc2ccccc2[N+](=O)[O-])c(C)nn1C ZINC000449245163 240251363 /nfs/dbraw/zinc/25/13/63/240251363.db2.gz YVNUGKKBDJWTOV-LLVKDONJSA-N 0 3 318.377 2.366 20 5 DEBDHN O=[N+]([O-])c1ccc([C@H]2CCCN(C[C@H]3COCCO3)C2)cc1 ZINC000451549256 243095228 /nfs/dbraw/zinc/09/52/28/243095228.db2.gz PKLRSKBARHHRTA-HOCLYGCPSA-N 0 3 306.362 2.190 20 5 DEBDHN O=[N+]([O-])c1cccc(OCCN2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)c1 ZINC000451716991 243347581 /nfs/dbraw/zinc/34/75/81/243347581.db2.gz VGMVNMKOOSZLAN-IIAWOOMASA-N 0 3 320.389 2.457 20 5 DEBDHN O=[N+]([O-])c1cccc(OCCN2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)c1 ZINC000451716993 243353680 /nfs/dbraw/zinc/35/36/80/243353680.db2.gz VGMVNMKOOSZLAN-YCPHGPKFSA-N 0 3 320.389 2.457 20 5 DEBDHN N[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000261834276 203129801 /nfs/dbraw/zinc/12/98/01/203129801.db2.gz TYNTXLRCWLMVIN-QWHCGFSZSA-N 0 3 317.370 2.223 20 5 DEBDHN CCOCCN(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000093316525 193230735 /nfs/dbraw/zinc/23/07/35/193230735.db2.gz JEOWQTJZWOALQW-UHFFFAOYSA-N 0 3 309.366 2.200 20 5 DEBDHN CCOc1ccc([C@H](C)N[C@@H](C)CC(=O)NC)cc1[N+](=O)[O-] ZINC000453370269 245098488 /nfs/dbraw/zinc/09/84/88/245098488.db2.gz NGAYOACXVNCSAN-QWRGUYRKSA-N 0 3 309.366 2.169 20 5 DEBDHN Cc1noc(CCCN(C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000282450150 217004473 /nfs/dbraw/zinc/00/44/73/217004473.db2.gz LRLBWOUUOFAGMA-UHFFFAOYSA-N 0 3 304.350 2.393 20 5 DEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@H]2CCCCN2C1=O ZINC000453414541 245127272 /nfs/dbraw/zinc/12/72/72/245127272.db2.gz BFQJLFFNUKLYCJ-BPLDGKMQSA-N 0 3 317.389 2.269 20 5 DEBDHN CCN1CCCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000264754239 204128987 /nfs/dbraw/zinc/12/89/87/204128987.db2.gz LTBHOHADTAPJNR-UHFFFAOYSA-N 0 3 316.361 2.244 20 5 DEBDHN CN1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000266149621 205138448 /nfs/dbraw/zinc/13/84/48/205138448.db2.gz JXVVASGZIWELAG-UHFFFAOYSA-N 0 3 301.293 2.338 20 5 DEBDHN C[C@H]1[C@H](Nc2c([N+](=O)[O-])ncn2C)CCN1Cc1ccccc1 ZINC000288363184 220109440 /nfs/dbraw/zinc/10/94/40/220109440.db2.gz XUXHKEGRNQEKQZ-GXTWGEPZSA-N 0 3 315.377 2.403 20 5 DEBDHN C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000266454288 205359994 /nfs/dbraw/zinc/35/99/94/205359994.db2.gz PAQFFWSBDSTUDC-HZMBPMFUSA-N 0 3 324.768 2.156 20 5 DEBDHN C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1Cl ZINC000266476132 205374836 /nfs/dbraw/zinc/37/48/36/205374836.db2.gz SFSUMBLYMAGZJD-JQWIXIFHSA-N 0 3 324.768 2.156 20 5 DEBDHN C[C@H](NC(=O)N[C@@H]1CCN(C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000454640384 246018832 /nfs/dbraw/zinc/01/88/32/246018832.db2.gz KCBKOIHFTMLWLI-WCQYABFASA-N 0 3 318.377 2.192 20 5 DEBDHN C[C@H](NC(=O)N[C@H]1CCN(C)[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000454639644 246013825 /nfs/dbraw/zinc/01/38/25/246013825.db2.gz IXSLTOGMKUFPJX-OBJOEFQTSA-N 0 3 320.393 2.438 20 5 DEBDHN CN(C)C[C@@H]1CCCN1C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000492164481 249009896 /nfs/dbraw/zinc/00/98/96/249009896.db2.gz RDYCYMXWLFOLFG-QPBFKRLHSA-N 0 3 321.352 2.300 20 5 DEBDHN CCOc1cc(CN[C@H]2CCOC[C@H]2OCC)ccc1[N+](=O)[O-] ZINC000492876817 249161978 /nfs/dbraw/zinc/16/19/78/249161978.db2.gz XRJUHPIEDVRJHG-XJKSGUPXSA-N 0 3 324.377 2.277 20 5 DEBDHN O=[N+]([O-])c1cccc(CN[C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000105802048 194132816 /nfs/dbraw/zinc/13/28/16/194132816.db2.gz JABRGAQOHMBUSO-CQSZACIVSA-N 0 3 313.361 2.143 20 5 DEBDHN Cc1c([C@H](C)NC[C@@H](O)c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000268854822 207022227 /nfs/dbraw/zinc/02/22/27/207022227.db2.gz CSUQSXLLDQMBOL-XHDPSFHLSA-N 0 3 304.350 2.021 20 5 DEBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@@]2(O)CCOC2)o1 ZINC000269963639 208013367 /nfs/dbraw/zinc/01/33/67/208013367.db2.gz JKVPJHHWHIJWQU-INIZCTEOSA-N 0 3 318.329 2.096 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H](O)C1CCOCC1 ZINC000540189056 285112130 /nfs/dbraw/zinc/11/21/30/285112130.db2.gz IZLVOAKILFOSCP-WBMJQRKESA-N 0 3 308.378 2.341 20 5 DEBDHN Cc1cc(C(=O)N[C@H](C)C2=CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000272933766 210319563 /nfs/dbraw/zinc/31/95/63/210319563.db2.gz LGLGNYVSGBUONC-GFCCVEGCSA-N 0 3 303.362 2.283 20 5 DEBDHN CN(CCc1nccs1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000157765879 197213917 /nfs/dbraw/zinc/21/39/17/197213917.db2.gz XQLQUCBKYSOOSZ-CYBMUJFWSA-N 0 3 307.375 2.259 20 5 DEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCN(C)CC1 ZINC000289809956 221241395 /nfs/dbraw/zinc/24/13/95/221241395.db2.gz NWIHKPNSAVDULI-UHFFFAOYSA-N 0 3 306.366 2.373 20 5 DEBDHN Cc1cnn([C@H]2CCN(CCOc3ccccc3[N+](=O)[O-])C2)c1 ZINC000289818139 221245869 /nfs/dbraw/zinc/24/58/69/221245869.db2.gz JDNSQFPVQUEUID-AWEZNQCLSA-N 0 3 316.361 2.426 20 5 DEBDHN Cc1cnn([C@@H]2CCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000290008581 221376929 /nfs/dbraw/zinc/37/69/29/221376929.db2.gz UIWXTRKLAGUVEN-HZPDHXFCSA-N 0 3 316.361 2.080 20 5 DEBDHN C[C@H](N[C@@H](C)[C@H]1CCCOC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000355355181 133020443 /nfs/dbraw/zinc/02/04/43/133020443.db2.gz SMYKFEPGRLMMQI-AVGNSLFASA-N 0 3 321.377 2.327 20 5 DEBDHN C[C@@H]1C[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000357412959 133076554 /nfs/dbraw/zinc/07/65/54/133076554.db2.gz KXTZSFIVPGMNNJ-OCCSQVGLSA-N 0 3 319.405 2.471 20 5 DEBDHN COC1(CCN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCC1 ZINC000549747717 285855334 /nfs/dbraw/zinc/85/53/34/285855334.db2.gz OOMNCXZUHISMQQ-UHFFFAOYSA-N 0 3 320.393 2.071 20 5 DEBDHN Cc1cc(NCCc2ncn(C)n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000322682911 145379391 /nfs/dbraw/zinc/37/93/91/145379391.db2.gz KDLKPRLONUQVKD-UHFFFAOYSA-N 0 3 312.333 2.235 20 5 DEBDHN CC(=O)N1CC(N[C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000565218809 292147928 /nfs/dbraw/zinc/14/79/28/292147928.db2.gz PCUOQIOWYDZEKX-CZUORRHYSA-N 0 3 317.389 2.126 20 5 DEBDHN C[C@@H]1[C@@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CCCN1C ZINC000346407602 146077172 /nfs/dbraw/zinc/07/71/72/146077172.db2.gz MPOKUHAWHAJSRJ-OCCSQVGLSA-N 0 3 319.405 2.471 20 5 DEBDHN C[C@H](CO)N1CCCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000346661412 146119623 /nfs/dbraw/zinc/11/96/23/146119623.db2.gz VZPKFWDCENKPEG-KGLIPLIRSA-N 0 3 307.394 2.044 20 5 DEBDHN CNC(=O)[C@H]1CCC[C@H]1NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000348168363 146227169 /nfs/dbraw/zinc/22/71/69/146227169.db2.gz QYDLVPMKDRRDIV-NWDGAFQWSA-N 0 3 311.769 2.253 20 5 DEBDHN C[C@@H]1[C@H](C)N(C)CCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000356975196 147014463 /nfs/dbraw/zinc/01/44/63/147014463.db2.gz JWXSCKKMQVWXOX-UONOGXRCSA-N 0 3 307.394 2.388 20 5 DEBDHN CN(C)CCOCCNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000359228004 147287006 /nfs/dbraw/zinc/28/70/06/147287006.db2.gz KRLDFNVQAQJBLC-UHFFFAOYSA-N 0 3 319.308 2.186 20 5 DEBDHN CS(=O)(=O)CCCCCNCc1ccc([N+](=O)[O-])cc1F ZINC000359391104 147319807 /nfs/dbraw/zinc/31/98/07/147319807.db2.gz MJFLQYDYFDOOAS-UHFFFAOYSA-N 0 3 318.370 2.038 20 5 DEBDHN O=[N+]([O-])c1ccn(CCN2CC[C@H](Oc3ccc(F)cc3)C2)n1 ZINC000372343595 148196074 /nfs/dbraw/zinc/19/60/74/148196074.db2.gz BDEWHXCAOIEBQV-AWEZNQCLSA-N 0 3 320.324 2.084 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000374882103 148301142 /nfs/dbraw/zinc/30/11/42/148301142.db2.gz PJNDUMSHZATFGX-SWLSCSKDSA-N 0 3 303.362 2.069 20 5 DEBDHN CO[C@@H]1CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000076348052 401792432 /nfs/dbraw/zinc/79/24/32/401792432.db2.gz XJRLRVVDLLDGOH-CQSZACIVSA-N 0 3 321.377 2.343 20 5 DEBDHN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC[C@H](N2CCCC2)C1 ZINC000077510571 401818178 /nfs/dbraw/zinc/81/81/78/401818178.db2.gz PANJMOYNVKGQII-ZDUSSCGKSA-N 0 3 321.352 2.434 20 5 DEBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000115433193 401827513 /nfs/dbraw/zinc/82/75/13/401827513.db2.gz FIRCXFYAKXPAML-ATWMFIQVSA-N 0 3 317.389 2.408 20 5 DEBDHN COc1ccc(C(=O)N(C)C[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000115438103 401828070 /nfs/dbraw/zinc/82/80/70/401828070.db2.gz QIMJONBYGAWCNX-LBPRGKRZSA-N 0 3 321.377 2.017 20 5 DEBDHN C[C@H](C1CC1)N(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000029725700 401858044 /nfs/dbraw/zinc/85/80/44/401858044.db2.gz RYIHFZFOIIILOU-SNVBAGLBSA-N 0 3 303.362 2.457 20 5 DEBDHN CC[C@@H](NC[C@H](O)COCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000129968890 401813892 /nfs/dbraw/zinc/81/38/92/401813892.db2.gz OSISICPATABIHZ-JKSUJKDBSA-N 0 3 308.378 2.423 20 5 DEBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000118973500 401915855 /nfs/dbraw/zinc/91/58/55/401915855.db2.gz HPICAHDBVDQOIG-GDBMZVCRSA-N 0 3 317.389 2.080 20 5 DEBDHN CCN(CCNC(=O)Cc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000120023666 401974648 /nfs/dbraw/zinc/97/46/48/401974648.db2.gz GWUGTTXKOSMHLB-UHFFFAOYSA-N 0 3 305.378 2.046 20 5 DEBDHN O=[N+]([O-])c1ccc(CCN2CCS[C@@H]3COCC[C@@H]32)cc1 ZINC000135533910 401943711 /nfs/dbraw/zinc/94/37/11/401943711.db2.gz SGMHYDFPFDKDFH-LSDHHAIUSA-N 0 3 308.403 2.344 20 5 DEBDHN CCNC(=O)N1CC[C@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000151080395 402014786 /nfs/dbraw/zinc/01/47/86/402014786.db2.gz IZDAERXVHWFACR-AAEUAGOBSA-N 0 3 306.366 2.049 20 5 DEBDHN CCCNC(=O)[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000050995606 402031575 /nfs/dbraw/zinc/03/15/75/402031575.db2.gz DBKJRESKSOIOLY-CQSZACIVSA-N 0 3 305.378 2.333 20 5 DEBDHN Cc1ccc([C@@H](C)N[C@@H](C)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000121376748 402032110 /nfs/dbraw/zinc/03/21/10/402032110.db2.gz WVSOOGJQPBQCHQ-UONOGXRCSA-N 0 3 307.394 2.275 20 5 DEBDHN Cc1cc(NC(=O)NC[C@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000153684322 402163406 /nfs/dbraw/zinc/16/34/06/402163406.db2.gz XLORNWGPWTURPG-GFCCVEGCSA-N 0 3 306.366 2.367 20 5 DEBDHN CC[C@@H](C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-])N(C)C ZINC000125299115 402224965 /nfs/dbraw/zinc/22/49/65/402224965.db2.gz BNMGBSAXNUYDFL-AWEZNQCLSA-N 0 3 322.409 2.162 20 5 DEBDHN CCOC(=O)N1CC[C@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000185039792 402319168 /nfs/dbraw/zinc/31/91/68/402319168.db2.gz YKNRABOXCWJJGO-AAEUAGOBSA-N 0 3 307.350 2.476 20 5 DEBDHN Cc1cc(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)cc([N+](=O)[O-])c1 ZINC000177189437 402379813 /nfs/dbraw/zinc/37/98/13/402379813.db2.gz NPQHNFSYYZVHBX-DGCLKSJQSA-N 0 3 303.362 2.258 20 5 DEBDHN Cc1ccc([C@H](C)NC(=O)C[C@H]2CSCCN2)cc1[N+](=O)[O-] ZINC000237655213 402417216 /nfs/dbraw/zinc/41/72/16/402417216.db2.gz HXJJVQRWFDXRFF-AAEUAGOBSA-N 0 3 323.418 2.176 20 5 DEBDHN CCN1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000162600758 402426215 /nfs/dbraw/zinc/42/62/15/402426215.db2.gz DZKQXBMJCPCQPE-UHFFFAOYSA-N 0 3 306.366 2.463 20 5 DEBDHN C[C@H](CN(C)C)Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000168953346 402499665 /nfs/dbraw/zinc/49/96/65/402499665.db2.gz CPVHKHBOIOJQRL-SSDOTTSWSA-N 0 3 303.160 2.114 20 5 DEBDHN C[C@H](CN(C)C)Nc1ncc([N+](=O)[O-])cc1Br ZINC000169030344 402500189 /nfs/dbraw/zinc/50/01/89/402500189.db2.gz HQTCLICOGLUDBD-SSDOTTSWSA-N 0 3 303.160 2.114 20 5 DEBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@]3(O)CCOC3)o2)cc1 ZINC000179024120 402565788 /nfs/dbraw/zinc/56/57/88/402565788.db2.gz YYIZOYGRPSUWHM-INIZCTEOSA-N 0 3 318.329 2.096 20 5 DEBDHN COCCN(C)CCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000171406264 402584860 /nfs/dbraw/zinc/58/48/60/402584860.db2.gz NXXJLBNHLBMTND-UHFFFAOYSA-N 0 3 304.350 2.133 20 5 DEBDHN C[C@@H]1CC[C@H](C)N1CC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000173898247 402717766 /nfs/dbraw/zinc/71/77/66/402717766.db2.gz IVOCJGQDWQHCNX-BETUJISGSA-N 0 3 305.378 2.426 20 5 DEBDHN C[C@@H]1CN(CCCCNc2cc(N)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000192799161 402750589 /nfs/dbraw/zinc/75/05/89/402750589.db2.gz UEGUTKREGZUFRO-BETUJISGSA-N 0 3 322.409 2.478 20 5 DEBDHN CN(c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[C@@H]1CCCN(C)C1 ZINC000175047600 402774018 /nfs/dbraw/zinc/77/40/18/402774018.db2.gz GZOKCVLJAMKEKH-GFCCVEGCSA-N 0 3 318.377 2.010 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(N2C[C@@H](SC)[C@H](N(C)C)C2)c1 ZINC000271626000 402881874 /nfs/dbraw/zinc/88/18/74/402881874.db2.gz MYQPWQJNXNGTLD-ZIAGYGMSSA-N 0 3 311.407 2.085 20 5 DEBDHN Cc1ccc(C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000272374875 402929482 /nfs/dbraw/zinc/92/94/82/402929482.db2.gz BGGYSFVKZZVUGX-DOMZBBRYSA-N 0 3 303.362 2.069 20 5 DEBDHN C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000273507619 403010789 /nfs/dbraw/zinc/01/07/89/403010789.db2.gz ZVHMSHSDMBONJH-LLVKDONJSA-N 0 3 312.391 2.147 20 5 DEBDHN O=[N+]([O-])c1cnc(NCC2(N3CCSCC3)CCCC2)nc1 ZINC000273605617 403019217 /nfs/dbraw/zinc/01/92/17/403019217.db2.gz KIEMSTWWKXIBTE-UHFFFAOYSA-N 0 3 323.422 2.158 20 5 DEBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000268095224 403048033 /nfs/dbraw/zinc/04/80/33/403048033.db2.gz CEZQVWYGWCVYPY-YGRLFVJLSA-N 0 3 304.350 2.199 20 5 DEBDHN COc1ccc(C(=O)N[C@H]2CCCN(C(C)C)C2)cc1[N+](=O)[O-] ZINC000274423052 403054177 /nfs/dbraw/zinc/05/41/77/403054177.db2.gz DQRNATIZQSCWSR-ZDUSSCGKSA-N 0 3 321.377 2.206 20 5 DEBDHN CS[C@H]1CN(c2cc(C)c([N+](=O)[O-])cn2)C[C@H]1N1CCCC1 ZINC000274668836 403076640 /nfs/dbraw/zinc/07/66/40/403076640.db2.gz KTNXHNVITZXKRZ-KGLIPLIRSA-N 0 3 322.434 2.314 20 5 DEBDHN CCn1ccnc1[C@H]1OCC[C@@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000275721265 403118880 /nfs/dbraw/zinc/11/88/80/403118880.db2.gz YZOVLGQWNULGPF-GJZGRUSLSA-N 0 3 316.361 2.431 20 5 DEBDHN CC(C)COC[C@H](O)CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282388084 403149015 /nfs/dbraw/zinc/14/90/15/403149015.db2.gz GOJFDMOZVMXSDZ-MRXNPFEDSA-N 0 3 310.394 2.103 20 5 DEBDHN CN1CCC(NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000283995919 403237731 /nfs/dbraw/zinc/23/77/31/403237731.db2.gz NAYOTAMQUSXBGY-UHFFFAOYSA-N 0 3 312.757 2.464 20 5 DEBDHN Cc1nc(NCCCN2CCCO[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000277320540 403204953 /nfs/dbraw/zinc/20/49/53/403204953.db2.gz BXCKVEVPPQWXHU-LBPRGKRZSA-N 0 3 308.382 2.211 20 5 DEBDHN CN1CC[C@@]2(CCN(C(=O)CCc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292113555 403295506 /nfs/dbraw/zinc/29/55/06/403295506.db2.gz FZZYEFDPUQIFSM-QGZVFWFLSA-N 0 3 317.389 2.082 20 5 DEBDHN NC(=O)CC[C@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000339718227 403428486 /nfs/dbraw/zinc/42/84/86/403428486.db2.gz NRDDPKKRQYLKRJ-CQSZACIVSA-N 0 3 305.378 2.115 20 5 DEBDHN CCOC[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000286007163 403429194 /nfs/dbraw/zinc/42/91/94/403429194.db2.gz GPVUMDJMTCZXNM-ZDUSSCGKSA-N 0 3 309.366 2.184 20 5 DEBDHN Cc1c(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cnn1C ZINC000331595826 403425848 /nfs/dbraw/zinc/42/58/48/403425848.db2.gz KYSQIDBBMWCZTP-ZIAGYGMSSA-N 0 3 318.381 2.107 20 5 DEBDHN CC[C@@H](C)NC(=O)CCN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293632760 403524375 /nfs/dbraw/zinc/52/43/75/403524375.db2.gz HPZHBYMFKBAHEB-MNOVXSKESA-N 0 3 308.382 2.132 20 5 DEBDHN CNC(=O)CC[C@@H]1CCCCN1Cc1ccccc1[N+](=O)[O-] ZINC000286342737 403504546 /nfs/dbraw/zinc/50/45/46/403504546.db2.gz GPOBUCDKAXYMFV-AWEZNQCLSA-N 0 3 305.378 2.476 20 5 DEBDHN Cc1ccc([C@@H](C)NCCC2(O)CCOCC2)cc1[N+](=O)[O-] ZINC000287300547 403570113 /nfs/dbraw/zinc/57/01/13/403570113.db2.gz DOEDTOSKKXGPKN-CYBMUJFWSA-N 0 3 308.378 2.485 20 5 DEBDHN Cc1c(CC(=O)N[C@H]2CCCN(C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000343420332 403581245 /nfs/dbraw/zinc/58/12/45/403581245.db2.gz AJKUEPAOCGRXRO-JSGCOSHPSA-N 0 3 305.378 2.045 20 5 DEBDHN CCOc1ccc([C@H](C)NC[C@@H]2CC[C@H](CO)O2)cc1[N+](=O)[O-] ZINC000340418909 403610307 /nfs/dbraw/zinc/61/03/07/403610307.db2.gz IWCPTBJCCHPMJH-FPMFFAJLSA-N 0 3 324.377 2.184 20 5 DEBDHN CCCN1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000343573683 403646262 /nfs/dbraw/zinc/64/62/62/403646262.db2.gz QEODHBURHMADMU-CYBMUJFWSA-N 0 3 321.377 2.208 20 5 DEBDHN C[C@@H]1CN(CCCCNc2ncccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000301537238 403644548 /nfs/dbraw/zinc/64/45/48/403644548.db2.gz AVRIXSDCPHIKDR-BETUJISGSA-N 0 3 308.382 2.291 20 5 DEBDHN C[C@H](NC(=O)N[C@@H]1CCCN(C)[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000343797114 403738029 /nfs/dbraw/zinc/73/80/29/403738029.db2.gz LFFPQMQDWBIHBA-SLEUVZQESA-N 0 3 320.393 2.438 20 5 DEBDHN C[C@H](NC(=O)C12CCCN1CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000295233291 403805278 /nfs/dbraw/zinc/80/52/78/403805278.db2.gz BXBVDDVUVLXCQY-LBPRGKRZSA-N 0 3 303.362 2.400 20 5 DEBDHN CN(C[C@@H](O)CN(Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CC1 ZINC000289284500 403894706 /nfs/dbraw/zinc/89/47/06/403894706.db2.gz AGXKSPJAFHPUGH-QGZVFWFLSA-N 0 3 319.405 2.014 20 5 DEBDHN CCN(Cc1ccc(CN(C)C)cc1)c1ncc([N+](=O)[O-])cn1 ZINC000354586220 403890553 /nfs/dbraw/zinc/89/05/53/403890553.db2.gz JNKUVBZVQCZFJP-UHFFFAOYSA-N 0 3 315.377 2.473 20 5 DEBDHN COCCC1(C)CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000290093440 404037373 /nfs/dbraw/zinc/03/73/73/404037373.db2.gz KOEQCPHMNJJZIM-UHFFFAOYSA-N 0 3 321.377 2.282 20 5 DEBDHN COC1([C@H](C)NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])CCC1 ZINC000412020800 404059773 /nfs/dbraw/zinc/05/97/73/404059773.db2.gz JZOSIOKVBSMECY-LBPRGKRZSA-N 0 3 321.377 2.389 20 5 DEBDHN CCN1CCC[C@@H]1CNc1ccc(CC(=O)OC)cc1[N+](=O)[O-] ZINC000296236575 404155937 /nfs/dbraw/zinc/15/59/37/404155937.db2.gz FBGCIQKCYBYTFJ-CYBMUJFWSA-N 0 3 321.377 2.207 20 5 DEBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000344644551 404281671 /nfs/dbraw/zinc/28/16/71/404281671.db2.gz NMLNZCLTELRFAQ-OAHLLOKOSA-N 0 3 319.405 2.374 20 5 DEBDHN CC(C)[C@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000342355196 404527933 /nfs/dbraw/zinc/52/79/33/404527933.db2.gz JVOKOYHRQBIENO-NSHDSACASA-N 0 3 300.380 2.003 20 5 DEBDHN CS[C@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000342540937 404641033 /nfs/dbraw/zinc/64/10/33/404641033.db2.gz HFGFKZQORUVAOP-KBPBESRZSA-N 0 3 313.398 2.211 20 5 DEBDHN CC(=O)N1CC[C@H](CN(C)[C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000330447983 404662618 /nfs/dbraw/zinc/66/26/18/404662618.db2.gz IJNZOQULXIRFOD-TZMCWYRMSA-N 0 3 305.378 2.456 20 5 DEBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)C1CCN(C)CC1 ZINC000330555291 404687375 /nfs/dbraw/zinc/68/73/75/404687375.db2.gz DZJFIYSUGJAYAX-UHFFFAOYSA-N 0 3 321.377 2.160 20 5 DEBDHN CCc1ccc(C(=O)N(CCN(C)C)C2CC2)cc1[N+](=O)[O-] ZINC000356880229 404714928 /nfs/dbraw/zinc/71/49/28/404714928.db2.gz UVEQBQGHNQXXTN-UHFFFAOYSA-N 0 3 305.378 2.323 20 5 DEBDHN Cn1ccnc1CN[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000361110201 404923431 /nfs/dbraw/zinc/92/34/31/404923431.db2.gz GFMWNPWAAGQXJC-CQSZACIVSA-N 0 3 300.362 2.439 20 5 DEBDHN CN1C[C@@H]2CCCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000424114775 405011468 /nfs/dbraw/zinc/01/14/68/405011468.db2.gz SQOJYTDDVHGGND-SMDDNHRTSA-N 0 3 304.350 2.153 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000451667242 405017897 /nfs/dbraw/zinc/01/78/97/405017897.db2.gz UEESIFBYRWNPCH-QLFBSQMISA-N 0 3 321.421 2.351 20 5 DEBDHN C[C@H](NC(=O)N1CCN[C@H](C)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000417140694 405047132 /nfs/dbraw/zinc/04/71/32/405047132.db2.gz QJKJTEBQBDDSIL-WOPDTQHZSA-N 0 3 306.366 2.048 20 5 DEBDHN CC(C)[C@@]1(CO)CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000368074603 405227061 /nfs/dbraw/zinc/22/70/61/405227061.db2.gz OMAFVZJYBBVRKB-INIZCTEOSA-N 0 3 308.378 2.314 20 5 DEBDHN O=[N+]([O-])c1ccn(C2CCN(CCOCC3CCC3)CC2)n1 ZINC000419315254 405237697 /nfs/dbraw/zinc/23/76/97/405237697.db2.gz VNRVRIJECUJSHR-UHFFFAOYSA-N 0 3 308.382 2.245 20 5 DEBDHN C[C@@H]1[C@@H](C)[C@H](C)CN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000419338114 405241483 /nfs/dbraw/zinc/24/14/83/405241483.db2.gz BWHSZWUSUXUCJY-FRRDWIJNSA-N 0 3 317.389 2.460 20 5 DEBDHN C[C@@H]1[C@@H](C)[C@H](C)CN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000419375141 405245476 /nfs/dbraw/zinc/24/54/76/405245476.db2.gz QZNFZQKZIZFBMU-FRRDWIJNSA-N 0 3 317.389 2.460 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(NCCN2CCN(C)C(C)(C)C2)c1 ZINC000440648624 405321075 /nfs/dbraw/zinc/32/10/75/405321075.db2.gz DWAPKMVJYVBBNL-UHFFFAOYSA-N 0 3 306.410 2.341 20 5 DEBDHN CC[C@@H]1CCCCN1CCNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420607377 405361146 /nfs/dbraw/zinc/36/11/46/405361146.db2.gz YZSBKTVFHILRCC-GFCCVEGCSA-N 0 3 320.393 2.370 20 5 DEBDHN Cc1cccc(C(=O)N2[C@@H]3CC[C@H]2CCN(C)C3)c1[N+](=O)[O-] ZINC000556963264 405564937 /nfs/dbraw/zinc/56/49/37/405564937.db2.gz NHMYBPQUVGYUFZ-QWHCGFSZSA-N 0 3 303.362 2.212 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000421781291 405645281 /nfs/dbraw/zinc/64/52/81/405645281.db2.gz AGJDPNFMZFRTHQ-DOMZBBRYSA-N 0 3 317.389 2.424 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(C(=O)NCCN2CCCC2(C)C)c1 ZINC000457075785 405681500 /nfs/dbraw/zinc/68/15/00/405681500.db2.gz NCSWFVMXSSZISO-UHFFFAOYSA-N 0 3 321.377 2.208 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CCn2ccnc2C1 ZINC000494413659 405690879 /nfs/dbraw/zinc/69/08/79/405690879.db2.gz TZFIVOVDYKSZCA-ZDUSSCGKSA-N 0 3 316.361 2.295 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000457141475 405720190 /nfs/dbraw/zinc/72/01/90/405720190.db2.gz ZGQZOGQEDYTIFP-ZDUSSCGKSA-N 0 3 321.377 2.158 20 5 DEBDHN COC(=O)Cc1ccc(N[C@@H]2CCN(C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000450355063 405853025 /nfs/dbraw/zinc/85/30/25/405853025.db2.gz PLYXOTSZHXBSJN-WCQYABFASA-N 0 3 321.377 2.205 20 5 DEBDHN CC[C@@H]1OCC[C@H]1N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000459777928 406042053 /nfs/dbraw/zinc/04/20/53/406042053.db2.gz OHKCPKHHGGHCAF-KYOSRNDESA-N 0 3 321.377 2.387 20 5 DEBDHN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCN(C)C1 ZINC000519627146 406224325 /nfs/dbraw/zinc/22/43/25/406224325.db2.gz PZLYTUAFNZXDJM-NSHDSACASA-N 0 3 306.366 2.305 20 5 DEBDHN C[C@H](C(=O)N[C@H]1CCN(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000519853828 406263217 /nfs/dbraw/zinc/26/32/17/406263217.db2.gz LWCIQPXFVILDFW-AAEUAGOBSA-N 0 3 303.362 2.051 20 5 DEBDHN COCCN(CCOc1ccccc1[N+](=O)[O-])[C@H]1CCO[C@H]1C ZINC000489490029 406411771 /nfs/dbraw/zinc/41/17/71/406411771.db2.gz APXNHHNPENKARK-KBPBESRZSA-N 0 3 324.377 2.099 20 5 DEBDHN COCCN(CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCO[C@@H]1C ZINC000489490032 406412583 /nfs/dbraw/zinc/41/25/83/406412583.db2.gz APXNHHNPENKARK-ZIAGYGMSSA-N 0 3 324.377 2.099 20 5 DEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@H](C)S(C)(=O)=O ZINC000526046892 406538915 /nfs/dbraw/zinc/53/89/15/406538915.db2.gz YZYHXWHWQNIDIG-RDQDRAATSA-N 0 3 312.391 2.021 20 5 DEBDHN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC1CCN(C2CC2)CC1 ZINC000491094232 406526695 /nfs/dbraw/zinc/52/66/95/406526695.db2.gz VSLIETGBMQPKQA-BAQGIRSFSA-N 0 3 315.373 2.351 20 5 DEBDHN Cc1c(CC(=O)N2[C@@H]3CC[C@H]2CCN(C)C3)cccc1[N+](=O)[O-] ZINC000552143268 406688682 /nfs/dbraw/zinc/68/86/82/406688682.db2.gz LJVDHFFRFUECAD-LSDHHAIUSA-N 0 3 317.389 2.141 20 5 DEBDHN C[C@@H]1CCN(C)CCN1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000491886494 406764010 /nfs/dbraw/zinc/76/40/10/406764010.db2.gz OQLUZRGRISWGIO-MEJMFZKBSA-N 0 3 303.362 2.161 20 5 DEBDHN C[C@H]1CCN(CCNC(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000491925865 406780190 /nfs/dbraw/zinc/78/01/90/406780190.db2.gz OZSMOORVSMIINK-FWWRYZNZSA-N 0 3 303.362 2.066 20 5 DEBDHN C[C@H]1COCCN1C1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000555877270 406857253 /nfs/dbraw/zinc/85/72/53/406857253.db2.gz CAXQEAKGDXDCEL-AWEZNQCLSA-N 0 3 319.405 2.280 20 5 DEBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@@H]2COC[C@H]2O)s1 ZINC000295508627 224922079 /nfs/dbraw/zinc/92/20/79/224922079.db2.gz HRRJOYFDXSVWON-TZMCWYRMSA-N 0 3 320.370 2.173 20 5 DEBDHN O=C1NCCCC[C@@H]1N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192650702 225139756 /nfs/dbraw/zinc/13/97/56/225139756.db2.gz WYXNXWUPPSPNTB-GJZGRUSLSA-N 0 3 303.362 2.231 20 5 DEBDHN O=[N+]([O-])c1ccc(NCCN2CCCOCC2)c2cccnc21 ZINC000413247219 228296165 /nfs/dbraw/zinc/29/61/65/228296165.db2.gz MATWLPCKFGGBQH-UHFFFAOYSA-N 0 3 316.361 2.277 20 5 DEBDHN CC[C@H](C)[N@H+](C)CC[N-]c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000357242950 424815179 /nfs/dbraw/zinc/81/51/79/424815179.db2.gz WVMCUBHLJWZESD-NSHDSACASA-N 0 3 319.365 2.787 20 5 DEBDHN CC[C@H](C)[N@@H+](C)CC[N-]c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000357242950 424815182 /nfs/dbraw/zinc/81/51/82/424815182.db2.gz WVMCUBHLJWZESD-NSHDSACASA-N 0 3 319.365 2.787 20 5 DEBDHN CC(C)N(CCN(C)C)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270587040 268664921 /nfs/dbraw/zinc/66/49/21/268664921.db2.gz XNOLUAOFYGLVSY-UHFFFAOYSA-N 0 3 322.409 2.119 20 5 DEBDHN C[C@H](O)[C@H]1C[C@H](C)CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000443345547 269136493 /nfs/dbraw/zinc/13/64/93/269136493.db2.gz SENWJPGSMKIXQW-DVOMOZLQSA-N 0 3 308.378 2.455 20 5 DEBDHN C[C@H](N[C@@H]1CSC[C@@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000507213918 269315634 /nfs/dbraw/zinc/31/56/34/269315634.db2.gz QRSGOUBXFANSEM-OUJBWJOFSA-N 0 3 309.391 2.263 20 5 DEBDHN C[C@H](N[C@H]1CSC[C@@H]1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000507267535 269316386 /nfs/dbraw/zinc/31/63/86/269316386.db2.gz YCTBSIIVSQGERD-NHCYSSNCSA-N 0 3 309.391 2.263 20 5 DEBDHN O=C([C@@H]1CNCc2ccccc21)N1CCc2c1cccc2[N+](=O)[O-] ZINC000516182897 269358828 /nfs/dbraw/zinc/35/88/28/269358828.db2.gz ZBFIVEUPYVLPMO-OAHLLOKOSA-N 0 3 323.352 2.371 20 5 DEBDHN C[C@H](C(=O)N1CC[C@@H]2CCN(C)C[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000517065159 269376038 /nfs/dbraw/zinc/37/60/38/269376038.db2.gz PLDNFFJMTLHHBS-HEHGZKQESA-N 0 3 317.389 2.251 20 5 DEBDHN C[C@@H](C(=O)N1CCC[C@H](N(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000518274134 269398057 /nfs/dbraw/zinc/39/80/57/269398057.db2.gz JSQPHUIEZPKBGJ-DOMZBBRYSA-N 0 3 305.378 2.251 20 5 DEBDHN CCOC[C@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000286112286 273702576 /nfs/dbraw/zinc/70/25/76/273702576.db2.gz LQTRNVAVAZAIJI-HNNXBMFYSA-N 0 3 323.393 2.208 20 5 DEBDHN CS[C@H]1CN(c2ccc([N+](=O)[O-])c(C)n2)C[C@@H]1N1CCCC1 ZINC000274635023 274186650 /nfs/dbraw/zinc/18/66/50/274186650.db2.gz CZTZHMFWYSNOJX-KBPBESRZSA-N 0 3 322.434 2.314 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@H]1CC[C@@H](CO)O1)CCCC2 ZINC000417349140 275038526 /nfs/dbraw/zinc/03/85/26/275038526.db2.gz KKVPQPOCOLAOMR-HLLBOEOZSA-N 0 3 320.389 2.492 20 5 DEBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000247485931 288078936 /nfs/dbraw/zinc/07/89/36/288078936.db2.gz TXMSERFNHSNLAM-ZWNOBZJWSA-N 0 3 309.341 2.146 20 5 DEBDHN C[C@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)N(C)C1CC1 ZINC000263961607 279344799 /nfs/dbraw/zinc/34/47/99/279344799.db2.gz XNOKLQBNCJNWSU-SNVBAGLBSA-N 0 3 316.361 2.289 20 5 DEBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CCN(C2CCC2)C[C@H](C)C1 ZINC000574676346 326177111 /nfs/dbraw/zinc/17/71/11/326177111.db2.gz HNVCENDXHKIUQF-LBPRGKRZSA-N 0 3 321.425 2.430 20 5 DEBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000574676341 326177207 /nfs/dbraw/zinc/17/72/07/326177207.db2.gz HNVCENDXHKIUQF-GFCCVEGCSA-N 0 3 321.425 2.430 20 5 DEBDHN O=[N+]([O-])c1cccc(N2CCN(C[C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000575119760 326220452 /nfs/dbraw/zinc/22/04/52/326220452.db2.gz JDWSNYQHTLSJCC-WMLDXEAASA-N 0 3 319.405 2.268 20 5 DEBDHN CCO[C@@H]1C[C@@H]1N[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000583242978 337285455 /nfs/dbraw/zinc/28/54/55/337285455.db2.gz YQBIPVVBYLDWCF-LEWSCRJBSA-N 0 3 307.350 2.079 20 5 DEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000415572893 534055674 /nfs/dbraw/zinc/05/56/74/534055674.db2.gz BOXGDXXYZDRIAF-RYUDHWBXSA-N 0 3 306.366 2.426 20 5 DEBDHN O=C(NCCN1CCCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000193288296 534326564 /nfs/dbraw/zinc/32/65/64/534326564.db2.gz DIHVSYZBWHYUCV-UHFFFAOYSA-N 0 3 312.757 2.466 20 5 DEBDHN CC(C)OC[C@@H](O)CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130009807 519771797 /nfs/dbraw/zinc/77/17/97/519771797.db2.gz LSGYPSBQVRUWBF-INIZCTEOSA-N 0 3 308.378 2.345 20 5 DEBDHN CCNC(=O)[C@@H](NC/C=C\c1ccccc1[N+](=O)[O-])C(C)C ZINC000339430870 521744060 /nfs/dbraw/zinc/74/40/60/521744060.db2.gz CKQODDFWXGZZRT-VIHMKRCTSA-N 0 3 305.378 2.358 20 5 DEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC(C2CC2)CC1 ZINC000366329395 527403612 /nfs/dbraw/zinc/40/36/12/527403612.db2.gz MFBCKBCLQQAFTB-HNNXBMFYSA-N 0 3 320.389 2.457 20 5 DEBDHN COc1c([O-])ccc(C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000893259143 625325726 /nfs/dbraw/zinc/32/57/26/625325726.db2.gz CLQZCFVROWBUBQ-PEGIJTEDSA-N 0 3 310.350 2.355 20 5 DEBDHN COc1cc([N+](=O)[O-])cnc1N1CC[C@@H](N2CCCCC2)C1 ZINC000892409351 625483302 /nfs/dbraw/zinc/48/33/02/625483302.db2.gz CJSDKOLNIIWVDN-GFCCVEGCSA-N 0 3 306.366 2.063 20 5 DEBDHN C[C@@H](CNC(=O)N[C@@H]1CCCN(C)C1)c1ccccc1[N+](=O)[O-] ZINC000892239033 624862692 /nfs/dbraw/zinc/86/26/92/624862692.db2.gz GMIWPXNFSMTGPB-QWHCGFSZSA-N 0 3 320.393 2.092 20 5 DEBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1Nc1c([N+](=O)[O-])cnn1C ZINC000893194949 625218784 /nfs/dbraw/zinc/21/87/84/625218784.db2.gz OHXQNIZCQXZWBG-JSGCOSHPSA-N 0 3 315.377 2.261 20 5 DEBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN[C@@H](CO)C1CC1 ZINC000894268166 636623223 /nfs/dbraw/zinc/62/32/23/636623223.db2.gz BEBLIQUSBHUDKS-NSHDSACASA-N 0 3 304.268 2.474 20 5 DEBDHN Cn1nnc2c1C[C@@H](NCc1cc(Cl)ccc1[N+](=O)[O-])CC2 ZINC000922995524 636904108 /nfs/dbraw/zinc/90/41/08/636904108.db2.gz NBOCGLAYYZOSKQ-NSHDSACASA-N 0 3 321.768 2.024 20 5 DEBDHN CC[C@H](C)[C@H](CNCc1ccc(O)c(OC)c1[N+](=O)[O-])OC ZINC000894678313 637158833 /nfs/dbraw/zinc/15/88/33/637158833.db2.gz GPZMUDHFPOYSLD-GWCFXTLKSA-N 0 3 312.366 2.460 20 5 DEBDHN COc1c(O)ccc(CN[C@@H](C)[C@@H](OC)C2CC2)c1[N+](=O)[O-] ZINC000894755459 637196412 /nfs/dbraw/zinc/19/64/12/637196412.db2.gz RDUPJBRUTVKROA-LKFCYVNXSA-N 0 3 310.350 2.212 20 5 DEBDHN CC[C@@H]1C[C@@H]([NH2+]Cc2ccc([O-])c(OC)c2[N+](=O)[O-])CCO1 ZINC000894975603 637354622 /nfs/dbraw/zinc/35/46/22/637354622.db2.gz QFBFJYYWBFJJCL-NWDGAFQWSA-N 0 3 310.350 2.356 20 5 DEBDHN CC(=O)c1c([N+](=O)[O-])cccc1N1C[C@H]2CN(C)C[C@@]2(C)C1 ZINC000896912166 639067245 /nfs/dbraw/zinc/06/72/45/639067245.db2.gz QJJNCVOUAMBQLO-WBMJQRKESA-N 0 3 303.362 2.185 20 5 DEBDHN COc1cc(CNC[C@H]2CC[C@@H](C3CC3)O2)c([N+](=O)[O-])cc1O ZINC000897511325 640521438 /nfs/dbraw/zinc/52/14/38/640521438.db2.gz KDTVFHRSBFYKOC-DOMZBBRYSA-N 0 3 322.361 2.356 20 5 DEBDHN Cc1ccc(NC(=O)N2CC[C@H]3CN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000929118806 640771188 /nfs/dbraw/zinc/77/11/88/640771188.db2.gz SKADROZYPRNQMT-FZMZJTMJSA-N 0 3 304.350 2.071 20 5 DEBDHN CCN1C[C@@H](C)N(c2nc3ccccn3c2[N+](=O)[O-])C[C@@H]1C ZINC000765633014 640803073 /nfs/dbraw/zinc/80/30/73/640803073.db2.gz GRPWFDHROHBFOR-NWDGAFQWSA-N 0 3 303.366 2.161 20 5 DEBDHN O=[N+]([O-])c1ccc(N2CCC(NCc3cc[nH]n3)CC2)cc1 ZINC000765849265 640824530 /nfs/dbraw/zinc/82/45/30/640824530.db2.gz VNQCVHIRBQKBFZ-UHFFFAOYSA-N 0 3 301.350 2.077 20 5 DEBDHN CN(C)CCN(C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000898017744 641001815 /nfs/dbraw/zinc/00/18/15/641001815.db2.gz RSNIQLFYOSPYSA-CVEARBPZSA-N 0 3 317.389 2.251 20 5 DEBDHN COc1cccc(C(=O)NC[C@@H](C)N2CCCCC2)c1[N+](=O)[O-] ZINC000767693376 641012087 /nfs/dbraw/zinc/01/20/87/641012087.db2.gz MLIMFKAFQKINNO-GFCCVEGCSA-N 0 3 321.377 2.208 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H](O)c1ccnn1C ZINC000927133250 641681170 /nfs/dbraw/zinc/68/11/70/641681170.db2.gz PUGGWZYZJOHYSZ-XHDPSFHLSA-N 0 3 304.350 2.021 20 5 DEBDHN CN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CCN(C2CC2)C1 ZINC000774876915 641976425 /nfs/dbraw/zinc/97/64/25/641976425.db2.gz FENPLAYKIGTANV-AWEZNQCLSA-N 0 3 320.349 2.172 20 5 DEBDHN CN(C)CCN(C)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900927501 642521202 /nfs/dbraw/zinc/52/12/02/642521202.db2.gz QOGALUIPAVAHEF-UHFFFAOYSA-N 0 3 303.721 2.021 20 5 DEBDHN C[C@H]1[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCN1C ZINC000902929755 643195596 /nfs/dbraw/zinc/19/55/96/643195596.db2.gz YHAIZCNJPAEUNA-GZMMTYOYSA-N 0 3 312.757 2.462 20 5 DEBDHN Cn1nc(C2CC2)cc1CNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000905620688 643972386 /nfs/dbraw/zinc/97/23/86/643972386.db2.gz UNJOPQYZQIDYQQ-INIZCTEOSA-N 0 3 316.361 2.029 20 5 DEBDHN Cc1ccc(-c2noc(C[C@H]3CSCCN3)n2)cc1[N+](=O)[O-] ZINC000843178303 650917559 /nfs/dbraw/zinc/91/75/59/650917559.db2.gz AHBJGMMMINNKKS-NSHDSACASA-N 0 3 320.374 2.201 20 5 DEBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N(C)C1CCN(C)CC1 ZINC000843749545 651024923 /nfs/dbraw/zinc/02/49/23/651024923.db2.gz LDWHCEQZMNQKOY-UHFFFAOYSA-N 0 3 309.341 2.209 20 5 DEBDHN CC(COC(=O)CCC(C)(C)NC(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000813108259 646730440 /nfs/dbraw/zinc/73/04/40/646730440.db2.gz CKLVWVXJEFCAKT-SNVBAGLBSA-N 0 3 318.370 2.278 20 5 DEBDHN Cc1ccc(C2(C(=O)OCC(C)[N+](=O)[O-])CCOCC2)cc1 ZINC000813110797 646731100 /nfs/dbraw/zinc/73/11/00/646731100.db2.gz JQWOLWSOCAAXFJ-CYBMUJFWSA-N 0 3 307.346 2.252 20 5 DEBDHN CC(COC(=O)c1cccc(C(=O)OC(C)(C)C)c1)[N+](=O)[O-] ZINC000813111763 646731129 /nfs/dbraw/zinc/73/11/29/646731129.db2.gz XAVJLOMFBUOXOE-SNVBAGLBSA-N 0 3 309.318 2.464 20 5 DEBDHN CC(COC(=O)c1ccc(OCc2ccccc2)nc1)[N+](=O)[O-] ZINC000813111695 646731392 /nfs/dbraw/zinc/73/13/92/646731392.db2.gz KIUAYWUKUYKCOI-GFCCVEGCSA-N 0 3 316.313 2.483 20 5 DEBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1-c1ccccc1F ZINC000813110760 646731472 /nfs/dbraw/zinc/73/14/72/646731472.db2.gz IUGQFPYETDRCDS-SECBINFHSA-N 0 3 307.281 2.142 20 5 DEBDHN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813114153 646732460 /nfs/dbraw/zinc/73/24/60/646732460.db2.gz ZHYMRLOQFXIHLU-ABAIWWIYSA-N 0 3 318.329 2.159 20 5 DEBDHN CCn1nc(C)c(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)c1C ZINC000819009343 647563108 /nfs/dbraw/zinc/56/31/08/647563108.db2.gz KSXGQHLWHPIHBN-MRXNPFEDSA-N 0 3 318.377 2.251 20 5 DEBDHN Cc1cc(NC(=O)N2CC[C@@H]3CN(C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000917027949 647956920 /nfs/dbraw/zinc/95/69/20/647956920.db2.gz PZCLMONOWBGFIN-BXUZGUMPSA-N 0 3 304.350 2.071 20 5 DEBDHN CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CCCN1CCCO ZINC000828420050 649176451 /nfs/dbraw/zinc/17/64/51/649176451.db2.gz AWJWYIPHSIBOHH-AWEZNQCLSA-N 0 3 321.377 2.056 20 5 DEBDHN O=C1OCCN1CCN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831539678 649607620 /nfs/dbraw/zinc/60/76/20/649607620.db2.gz UHPFMBKCXVXXGT-CQSZACIVSA-N 0 3 319.361 2.226 20 5 DEBDHN CN1C[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)[C@@H]2C1 ZINC000832691669 649736003 /nfs/dbraw/zinc/73/60/03/649736003.db2.gz QURKTXFCWCTZKU-TVQRCGJNSA-N 0 3 309.753 2.024 20 5 DEBDHN C[C@@H]1CN(CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)C[C@H]1C ZINC000848480758 651461696 /nfs/dbraw/zinc/46/16/96/651461696.db2.gz SSDVVPWKCPGUGT-IOASZLSFSA-N 0 3 317.389 2.456 20 5 DEBDHN C[C@@H]1CN(CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)C[C@H]1C ZINC000848480759 651461937 /nfs/dbraw/zinc/46/19/37/651461937.db2.gz SSDVVPWKCPGUGT-XJKCOSOUSA-N 0 3 317.389 2.456 20 5 DEBDHN C[C@@H](C(=O)Nc1ccc(N)c([N+](=O)[O-])c1)N1[C@H](C)CC[C@H]1C ZINC000854497493 651489567 /nfs/dbraw/zinc/48/95/67/651489567.db2.gz QXSSBWPNFWNVJT-MXWKQRLJSA-N 0 3 306.366 2.377 20 5 DEBDHN Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(C)[C@H]2C)cc1Cl ZINC000928429742 693777661 /nfs/dbraw/zinc/77/76/61/693777661.db2.gz DMRPVXHMSBQBDN-JOYOIKCWSA-N 0 3 311.769 2.379 20 5 DEBDHN CC(COC(=O)c1ccc(O[C@H]2CC2(F)F)cc1)[N+](=O)[O-] ZINC000860776137 685960015 /nfs/dbraw/zinc/96/00/15/685960015.db2.gz BXNKDCWGWVMWMI-KWQFWETISA-N 0 3 301.245 2.295 20 5 DEBDHN CN1C[C@@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3Cl)[C@@H]2C1 ZINC000861809662 686186078 /nfs/dbraw/zinc/18/60/78/686186078.db2.gz YEPVJFWBOHFNAL-JOYOIKCWSA-N 0 3 309.753 2.024 20 5 DEBDHN CC[C@@H](C[C@@H](C)O)NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000865872673 687363539 /nfs/dbraw/zinc/36/35/39/687363539.db2.gz NYUIFCHRQVCELM-PWSUYJOCSA-N 0 3 310.350 2.005 20 5 DEBDHN CN1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CCC1(C)C ZINC000866112679 687450801 /nfs/dbraw/zinc/45/08/01/687450801.db2.gz IQJAOCOLLVEZHS-UHFFFAOYSA-N 0 3 308.338 2.424 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CCN(C)[C@H]1C ZINC000930317595 694135078 /nfs/dbraw/zinc/13/50/78/694135078.db2.gz VHGHYAGJVOBXGV-RYUDHWBXSA-N 0 3 306.366 2.426 20 5 DEBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCC(=O)N(C)C ZINC000872030196 688916311 /nfs/dbraw/zinc/91/63/11/688916311.db2.gz ARQFAVIPQKNKGD-SNVBAGLBSA-N 0 3 311.407 2.446 20 5 DEBDHN COC[C@@](C)(O)CN[C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872036447 688917595 /nfs/dbraw/zinc/91/75/95/688917595.db2.gz SAGJQPMVTHSBQR-HZMBPMFUSA-N 0 3 314.407 2.365 20 5 DEBDHN COC[C@@H](O)CCN[C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872054293 688919804 /nfs/dbraw/zinc/91/98/04/688919804.db2.gz SITMBJWFEBWVGH-PWSUYJOCSA-N 0 3 314.407 2.365 20 5 DEBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H]1CCCNC1=O ZINC000872080742 688923627 /nfs/dbraw/zinc/92/36/27/688923627.db2.gz YXHCTFSXLQITQE-WDEREUQCSA-N 0 3 323.418 2.494 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@]12CCC[C@H]1OCC2 ZINC000872313920 688980784 /nfs/dbraw/zinc/98/07/84/688980784.db2.gz TXHPXBGYIZHKRI-CJNGLKHVSA-N 0 3 319.361 2.143 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000874828779 689504140 /nfs/dbraw/zinc/50/41/40/689504140.db2.gz IEKMAXBZAUVEHJ-OLZOCXBDSA-N 0 3 303.362 2.212 20 5 DEBDHN Cc1noc(C)c1[C@@H](C)NC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877046600 690006902 /nfs/dbraw/zinc/00/69/02/690006902.db2.gz MLLIOSLQDUIDMG-HUUUCTMMSA-N 0 3 305.338 2.450 20 5 DEBDHN CN1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C(C)(C)C ZINC000878840120 690511095 /nfs/dbraw/zinc/51/10/95/690511095.db2.gz KNZFVJFCWHKCSN-HZPDHXFCSA-N 0 3 321.421 2.290 20 5 DEBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC[C@@H]2c2cn[nH]c2)cc1 ZINC000878876860 690519095 /nfs/dbraw/zinc/51/90/95/690519095.db2.gz WFCVFIIMFRCCBM-HUUCEWRRSA-N 0 3 302.334 2.188 20 5 DEBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000931611384 694439906 /nfs/dbraw/zinc/43/99/06/694439906.db2.gz UAPZHCQYCZMSAG-ZANVPECISA-N 0 3 322.340 2.338 20 5 DEBDHN CCOC(=O)c1cc(NC[C@H]2CCN2CC)ccc1[N+](=O)[O-] ZINC000882960344 691397252 /nfs/dbraw/zinc/39/72/52/691397252.db2.gz HHYQUXBORDAOQG-GFCCVEGCSA-N 0 3 307.350 2.278 20 5 DEBDHN C[C@@H](NCC[C@@H]1CCCS1(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000883305260 691477729 /nfs/dbraw/zinc/47/77/29/691477729.db2.gz SEZBFMQNUQRUKL-RISCZKNCSA-N 0 3 312.391 2.213 20 5 DEBDHN C[C@](CO)(NC[C@H]1CC[C@@H](C2CC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000886307584 692050861 /nfs/dbraw/zinc/05/08/61/692050861.db2.gz WOFLRGCKSMXCOR-IXDOHACOSA-N 0 3 320.389 2.350 20 5 DEBDHN O=[N+]([O-])c1cc2c(cc1CNCC[C@H]1CCCO1)OCCO2 ZINC000886315617 692054001 /nfs/dbraw/zinc/05/40/01/692054001.db2.gz UTMUORNFPISWAO-GFCCVEGCSA-N 0 3 308.334 2.025 20 5 DEBDHN Cc1c(C(=O)NCCN2CCC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000890081430 692857969 /nfs/dbraw/zinc/85/79/69/692857969.db2.gz IFBBWCJXSNXRRA-UHFFFAOYSA-N 0 3 305.378 2.365 20 5 DEBDHN Cc1ccc(OC(=O)C2CCCN(C3CC3)C2=O)cc1[N+](=O)[O-] ZINC001358119559 1152364856 /nfs/dbraw/zinc/36/48/56/1152364856.db2.gz PYYKUIYCGJCZQG-ZDUSSCGKSA-N 0 3 318.329 2.210 20 5 DEBDHN NCc1cc(-c2ccncc2)nn1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168985054 784985698 /nfs/dbraw/zinc/98/56/98/784985698.db2.gz CLEWVLWCSKCZIJ-DGCLKSJQSA-N 0 3 301.350 2.022 20 5 DEBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCN(Cc3ccc(F)cc3)CC2)C1 ZINC001169009075 785001752 /nfs/dbraw/zinc/00/17/52/785001752.db2.gz VBCFTWPQLBAIAJ-NVXWUHKLSA-N 0 3 321.396 2.389 20 5 DEBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCc3cc4c(cc3C2)OCO4)C1 ZINC001169010963 785003220 /nfs/dbraw/zinc/00/32/20/785003220.db2.gz GSESTMKSLJGUAP-BXUZGUMPSA-N 0 3 304.346 2.219 20 5 DEBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)C1 ZINC001169026619 785019574 /nfs/dbraw/zinc/01/95/74/785019574.db2.gz YBYCQWKMULAAPO-NQNKBUKLSA-N 0 3 324.421 2.090 20 5 DEBDHN COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1-n1ccc([C@H](C)N)n1 ZINC001169235880 785105295 /nfs/dbraw/zinc/10/52/95/785105295.db2.gz ZTCUGJOJAJJBHS-ZETCQYMHSA-N 0 3 324.724 2.240 20 5 DEBDHN COc1c([O-])ccc(C[NH2+][C@H]2C[C@@H]3[C@H](C2)C3(F)F)c1[N+](=O)[O-] ZINC001333793831 1150091991 /nfs/dbraw/zinc/09/19/91/1150091991.db2.gz XEITVAOZKHOMFW-ILWJIGKKSA-N 0 3 314.288 2.442 20 5 DEBDHN C[C@@H](Nc1ncc(C(C)(C)C)cc1[N+](=O)[O-])[C@@H]1CNCCO1 ZINC001170561469 787629488 /nfs/dbraw/zinc/62/94/88/787629488.db2.gz FKKINNKWNPJPNS-MFKMUULPSA-N 0 3 308.382 2.076 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCCC[C@@]12CCCOC2 ZINC001177015908 794557536 /nfs/dbraw/zinc/55/75/36/794557536.db2.gz SGFSACHMTUHTJR-HNNXBMFYSA-N 0 3 308.382 2.135 20 5 DEBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1ccc(Cl)o1 ZINC001123559583 795932808 /nfs/dbraw/zinc/93/28/08/795932808.db2.gz WPUWIXBCLKHVSJ-UHFFFAOYSA-N 0 3 323.736 2.361 20 5 DEBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CCN[C@H](c2ccccc2)C1 ZINC001187687281 796561871 /nfs/dbraw/zinc/56/18/71/796561871.db2.gz WZJSGHTVFFHGJG-AWEZNQCLSA-N 0 3 315.377 2.271 20 5 DEBDHN O=[N+]([O-])c1ccc(N2CC(N[C@H]3CCOC3)C2)c(C(F)F)c1 ZINC001187739916 796572318 /nfs/dbraw/zinc/57/23/18/796572318.db2.gz OEXPZWFAXDSYAM-VIFPVBQESA-N 0 3 313.304 2.100 20 5 DEBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1ccc(F)s1 ZINC001153355635 797327130 /nfs/dbraw/zinc/32/71/30/797327130.db2.gz AOSJWKYHUIJMBB-UHFFFAOYSA-N 0 3 323.349 2.315 20 5 DEBDHN CC(C)OCCC(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001154849904 797626271 /nfs/dbraw/zinc/62/62/71/797626271.db2.gz KAVXXHPEOFEGBA-UHFFFAOYSA-N 0 3 323.393 2.006 20 5 DEBDHN Nc1cc([N+](=O)[O-])cnc1-n1cncc1CNCc1ccccc1 ZINC001156509685 798018904 /nfs/dbraw/zinc/01/89/04/798018904.db2.gz ZFQGCZHZXXWYOP-UHFFFAOYSA-N 0 3 324.344 2.048 20 5 DEBDHN CC(C)Oc1nc(N2C[C@@H]3CCCN(C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001157270767 798174640 /nfs/dbraw/zinc/17/46/40/798174640.db2.gz GGMRBGNEUUFWAE-GXTWGEPZSA-N 0 3 320.393 2.307 20 5 DEBDHN C[C@H](N)c1ccn(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)n1 ZINC001158344386 798388633 /nfs/dbraw/zinc/38/86/33/798388633.db2.gz BARPPZVVGMFBRJ-LURJTMIESA-N 0 3 317.683 2.457 20 5 DEBDHN COc1ncc([N+](=O)[O-])cc1-n1c2ccccc2nc1[C@H](C)N ZINC001162765394 799168954 /nfs/dbraw/zinc/16/89/54/799168954.db2.gz FQWNOJANTRWLDE-VIFPVBQESA-N 0 3 313.317 2.357 20 5 DEBDHN COc1cc(-n2c3ccccc3nc2[C@@H](C)N)cnc1[N+](=O)[O-] ZINC001162777825 799170730 /nfs/dbraw/zinc/17/07/30/799170730.db2.gz VSFGJRMPMISLGW-SECBINFHSA-N 0 3 313.317 2.357 20 5 DEBDHN CN(C)C1(C)CN(c2nc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC001165118286 799655072 /nfs/dbraw/zinc/65/50/72/799655072.db2.gz RPJHGYVIOKYIRW-UHFFFAOYSA-N 0 3 305.165 2.437 20 5 DEBDHN CC1(C)C[C@H](Oc2[n-]c(=O)nc3ccc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC001218473819 802188241 /nfs/dbraw/zinc/18/82/41/802188241.db2.gz DNXPJDLVHSUFLL-SNVBAGLBSA-N 0 3 318.333 2.153 20 5 DEBDHN O=[N+]([O-])c1cc(CO[C@H]2CN3CCC2CC3)cc([N+](=O)[O-])c1 ZINC001223486906 802794615 /nfs/dbraw/zinc/79/46/15/802794615.db2.gz DHGGUUIUKLUMEW-AWEZNQCLSA-N 0 3 307.306 2.114 20 5 DEBDHN Cc1[n-]c(=O)cc(O[C@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)c1[N+](=O)[O-] ZINC001228689372 803395511 /nfs/dbraw/zinc/39/55/11/803395511.db2.gz SVJAZXPJGWRWQG-HBYGRHMLSA-N 0 3 307.350 2.113 20 5 DEBDHN Cc1[n-]c(=O)cc(O[C@H]2[C@@H]3CCC[C@H]2C[N@H+](C)C3)c1[N+](=O)[O-] ZINC001228689372 803395514 /nfs/dbraw/zinc/39/55/14/803395514.db2.gz SVJAZXPJGWRWQG-HBYGRHMLSA-N 0 3 307.350 2.113 20 5 DEBDHN C[C@H](CNC(=O)C1(N)CC2(CCC2)C1)c1ccccc1[N+](=O)[O-] ZINC001342944197 1150632438 /nfs/dbraw/zinc/63/24/38/1150632438.db2.gz NSIGRZCKAVRINH-GFCCVEGCSA-N 0 3 317.389 2.476 20 5 DEBDHN O=C(OC[C@H]1CCN1C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC001344367297 1150818900 /nfs/dbraw/zinc/81/89/00/1150818900.db2.gz DFXVDWOAAQMAGC-OAHLLOKOSA-N 0 3 320.345 2.005 20 5 DEBDHN CC([C@H](OC(=O)[C@@H]1[C@@H]2CCC(=O)[C@@H]21)c1ccccc1F)[N+](=O)[O-] ZINC001345232646 1150875113 /nfs/dbraw/zinc/87/51/13/1150875113.db2.gz HPDVDHXHAKIAOP-ZTYZJHNASA-N 0 3 321.304 2.300 20 5 DEBDHN C[C@H]([NH2+]Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CCCC1 ZINC001605441200 1070711754 /nfs/dbraw/zinc/71/17/54/1070711754.db2.gz ZFABIPJTKAWQSS-JTQLQIEISA-N 0 3 316.365 2.443 20 5 DEBDHN C[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1CCCC1 ZINC001605441200 1070711763 /nfs/dbraw/zinc/71/17/63/1070711763.db2.gz ZFABIPJTKAWQSS-JTQLQIEISA-N 0 3 316.365 2.443 20 5 DEBDHN CN(C)[C@@H](CNc1nn(C)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001472669775 1060565941 /nfs/dbraw/zinc/56/59/41/1060565941.db2.gz NBDTXDAVIARELR-LBPRGKRZSA-N 0 3 307.329 2.182 20 5 DEBDHN COc1cc(C[NH2+]CC2(C)CCOCC2)c([N+](=O)[O-])cc1[O-] ZINC001474073899 1060811195 /nfs/dbraw/zinc/81/11/95/1060811195.db2.gz XYYQJBIVUDKEBL-UHFFFAOYSA-N 0 3 310.350 2.215 20 5 DEBDHN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCCN1CC[C@@H](C)C1 ZINC001634399005 1078427503 /nfs/dbraw/zinc/42/75/03/1078427503.db2.gz DYRXXPVGAWBABD-SNVBAGLBSA-N 0 3 309.341 2.114 20 5 DEBDHN CCOc1ccc(C(=O)N[C@H]2CN(C)CC2(C)C)cc1[N+](=O)[O-] ZINC001635644363 1078455725 /nfs/dbraw/zinc/45/57/25/1078455725.db2.gz PSGLNRPOPCDSLX-AWEZNQCLSA-N 0 3 321.377 2.064 20 5 DEBDHN COc1ccc(C[C@@H]2CCN2CCn2cc([N+](=O)[O-])cn2)cc1 ZINC001641993112 1078738563 /nfs/dbraw/zinc/73/85/63/1078738563.db2.gz XXKFGJWYIZVSSY-AWEZNQCLSA-N 0 3 316.361 2.117 20 5 DEBDHN CC[C@@H](C)N[C@H](CNc1nn(C)cc1[N+](=O)[O-])c1ccco1 ZINC001559187749 1075114643 /nfs/dbraw/zinc/11/46/43/1075114643.db2.gz YBRRPAXBFQYAKF-GHMZBOCLSA-N 0 3 307.354 2.463 20 5 DEBDHN CCOC(=O)c1cc(CNCCc2ccc([N+](=O)[O-])cc2)on1 ZINC001560974963 1075149429 /nfs/dbraw/zinc/14/94/29/1075149429.db2.gz RVLWBSBEGZQKLV-UHFFFAOYSA-N 0 3 319.317 2.092 20 5 DEBDHN C[C@@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@H]1C ZINC001590273185 1076604204 /nfs/dbraw/zinc/60/42/04/1076604204.db2.gz WGSBOOGMXRBJBM-GHMZBOCLSA-N 0 3 316.365 2.253 20 5 DEBDHN C[C@@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@H]1C ZINC001590273185 1076604209 /nfs/dbraw/zinc/60/42/09/1076604209.db2.gz WGSBOOGMXRBJBM-GHMZBOCLSA-N 0 3 316.365 2.253 20 5 DEBDHN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC001595333409 1077060883 /nfs/dbraw/zinc/06/08/83/1077060883.db2.gz ATPSABYNLYOIJZ-IINYFYTJSA-N 0 3 321.352 2.255 20 5 DEBDHN O=[N+]([O-])c1ccc(OCCCN2CCN3C[C@@H](F)C[C@H]3C2)cc1 ZINC001660495018 1080344178 /nfs/dbraw/zinc/34/41/78/1080344178.db2.gz NCWSPFJAGUWALW-ZFWWWQNUSA-N 0 3 323.368 2.092 20 5 DEBDHN CC(=O)Nc1ccc(C(C)=O)c(O[C@H](C)CN(C)C)c1[N+](=O)[O-] ZINC001234681128 1084195785 /nfs/dbraw/zinc/19/57/85/1084195785.db2.gz HUHHSSMIYFBZSG-SECBINFHSA-N 0 3 323.349 2.085 20 5 DEBDHN CO[C@@H]1CC[C@@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC001320670544 1140892289 /nfs/dbraw/zinc/89/22/89/1140892289.db2.gz ZHKQBLFXAWWODS-VXGBXAGGSA-N 0 3 308.334 2.023 20 5 DEBDHN CN1CCCC[C@@H]1CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001336746404 1142558028 /nfs/dbraw/zinc/55/80/28/1142558028.db2.gz VIOZJOIEFKKJLH-GFCCVEGCSA-N 0 3 316.361 2.290 20 5 DEBDHN C[C@@H](NC(=O)N1C[C@@H](C)NC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC001336976825 1142644993 /nfs/dbraw/zinc/64/49/93/1142644993.db2.gz GQDZCYNPIKYZBT-IJLUTSLNSA-N 0 3 306.366 2.048 20 5 DEBDHN Cn1cc2c(n1)CCC[C@H]2NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001338408845 1142854232 /nfs/dbraw/zinc/85/42/32/1142854232.db2.gz WQJAXNBGGFQGRL-GDBMZVCRSA-N 0 3 316.361 2.029 20 5 DEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCC(=O)N1CCCCC1 ZINC001254534679 1143240902 /nfs/dbraw/zinc/24/09/02/1143240902.db2.gz AZGTYYUOBPMSOD-CYBMUJFWSA-N 0 3 305.378 2.128 20 5 DEBDHN O=C(CN[C@H]1Cc2ccc([N+](=O)[O-])cc2C1)Cc1ccccc1 ZINC001254579386 1143261240 /nfs/dbraw/zinc/26/12/40/1143261240.db2.gz RGFCFCKDQMXNKK-INIZCTEOSA-N 0 3 310.353 2.463 20 5 DEBDHN O=C1Nc2ccccc2C[C@H]1N[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581793 1143265470 /nfs/dbraw/zinc/26/54/70/1143265470.db2.gz MTFQGTHPMLCXRE-WMLDXEAASA-N 0 3 323.352 2.215 20 5 DEBDHN N[C@@H](C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)C1CCCCC1 ZINC001327121018 1148330920 /nfs/dbraw/zinc/33/09/20/1148330920.db2.gz MSMQEDCRLSBZIL-OAHLLOKOSA-N 0 3 303.362 2.345 20 5 DEBDHN CN(C)CCN(C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C1CC1 ZINC000356302055 282088948 /nfs/dbraw/zinc/08/89/48/282088948.db2.gz QROQSRKGJBZRHO-UHFFFAOYSA-N 0 3 316.361 2.242 20 5 DEBDHN C[C@@H](O)CCCNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000278745660 214371582 /nfs/dbraw/zinc/37/15/82/214371582.db2.gz VVQUDCWVSQYDPQ-SECBINFHSA-N 0 3 304.293 2.447 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](CCO)C(C)(C)C ZINC000181473505 199302619 /nfs/dbraw/zinc/30/26/19/199302619.db2.gz XBYFBOARXBMREI-AWEZNQCLSA-N 0 3 323.393 2.228 20 5 DEBDHN CCN1CCC[C@H]1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000286693507 219113397 /nfs/dbraw/zinc/11/33/97/219113397.db2.gz BQRZUZJLXLJRAE-VIFPVBQESA-N 0 3 307.379 2.496 20 5 DEBDHN Cc1cc(C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000272630036 210032354 /nfs/dbraw/zinc/03/23/54/210032354.db2.gz NBSWRTKLSOZVNI-WFASDCNBSA-N 0 3 303.362 2.069 20 5 DEBDHN CCOc1ccc([C@@H](C)NCCNC(=O)C(C)C)cc1[N+](=O)[O-] ZINC000152591795 186088275 /nfs/dbraw/zinc/08/82/75/186088275.db2.gz UPUKIBHUIVDHDU-GFCCVEGCSA-N 0 3 323.393 2.416 20 5 DEBDHN C[C@@H]1CN(CCN(C)CCc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000595476458 358458871 /nfs/dbraw/zinc/45/88/71/358458871.db2.gz MNIWMVDVEVROON-GASCZTMLSA-N 0 3 321.421 2.178 20 5 DEBDHN CN(c1ncnc2sc([N+](=O)[O-])cc21)[C@H]1CCCN(C)C1 ZINC000287228476 219393988 /nfs/dbraw/zinc/39/39/88/219393988.db2.gz JDKBSPMRKLYXBP-VIFPVBQESA-N 0 3 307.379 2.130 20 5 DEBDHN Cc1ccc(CNC(C)(C)CCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000174637679 198364130 /nfs/dbraw/zinc/36/41/30/198364130.db2.gz DZRHXGPIWLGZNS-UHFFFAOYSA-N 0 3 314.407 2.206 20 5 DEBDHN CNc1ccc(C(=O)NCCN2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000047148521 354308185 /nfs/dbraw/zinc/30/81/85/354308185.db2.gz YWQXLEAJIAZWNS-LBPRGKRZSA-N 0 3 320.393 2.098 20 5 DEBDHN CCC1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000051451758 354384588 /nfs/dbraw/zinc/38/45/88/354384588.db2.gz YXSFDZBACPVMSN-HNNXBMFYSA-N 0 3 308.378 2.457 20 5 DEBDHN CCN(C)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000049337439 354360151 /nfs/dbraw/zinc/36/01/51/354360151.db2.gz XSEABCGZDDVHSV-UHFFFAOYSA-N 0 3 300.746 2.321 20 5 DEBDHN CN(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000054281588 354457579 /nfs/dbraw/zinc/45/75/79/354457579.db2.gz SKTMHNRJFMSGMD-UHFFFAOYSA-N 0 3 313.357 2.457 20 5 DEBDHN O=[N+]([O-])c1ccccc1OCCN1CCC2(C1)CCOCC2 ZINC000076177522 355132078 /nfs/dbraw/zinc/13/20/78/355132078.db2.gz VBNISPUUUKQRBS-UHFFFAOYSA-N 0 3 306.362 2.476 20 5 DEBDHN CN1CC[C@@]2(CCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000292194732 283106082 /nfs/dbraw/zinc/10/60/82/283106082.db2.gz LIYPQBSXTFBMKV-OAHLLOKOSA-N 0 3 323.780 2.416 20 5 DEBDHN C[C@@H](NCCn1cnnc1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000090032447 355552481 /nfs/dbraw/zinc/55/24/81/355552481.db2.gz ZJDUPRRFYWWAHN-LLVKDONJSA-N 0 3 301.350 2.415 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(N2CCN(C3CCOCC3)CC2)c1 ZINC000088726980 355517912 /nfs/dbraw/zinc/51/79/12/355517912.db2.gz RHPFUAWFPRJQQI-UHFFFAOYSA-N 0 3 305.378 2.204 20 5 DEBDHN Cc1ccc([C@H](C)N[C@H](C)[C@@H]2CN(C)CCO2)cc1[N+](=O)[O-] ZINC000090573333 355564037 /nfs/dbraw/zinc/56/40/37/355564037.db2.gz YCKQLXVMFGOLFV-ZENOOKHLSA-N 0 3 307.394 2.273 20 5 DEBDHN CC(C)Oc1cc(C(=O)NC2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000116522438 355774160 /nfs/dbraw/zinc/77/41/60/355774160.db2.gz IAVBZXQXYDTYEE-UHFFFAOYSA-N 0 3 321.377 2.206 20 5 DEBDHN Cn1cnc([N+](=O)[O-])c1N1CCCN(Cc2ccccc2)CC1 ZINC000139593054 355878340 /nfs/dbraw/zinc/87/83/40/355878340.db2.gz YWTFWGCPBUHPCC-UHFFFAOYSA-N 0 3 315.377 2.041 20 5 DEBDHN C[C@H](NC[C@@H](O)COCc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000180452061 356051195 /nfs/dbraw/zinc/05/11/95/356051195.db2.gz ADOXWUJDXCLJMY-SWLSCSKDSA-N 0 3 320.345 2.416 20 5 DEBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCN(C)C ZINC000180710014 356057609 /nfs/dbraw/zinc/05/76/09/356057609.db2.gz FCPLVRRONQAABM-UHFFFAOYSA-N 0 3 311.407 2.387 20 5 DEBDHN C[C@@H](C(=O)NC[C@H](C)N(C)C1CC1)c1ccc([N+](=O)[O-])cc1F ZINC000185179436 356203287 /nfs/dbraw/zinc/20/32/87/356203287.db2.gz BEHBTCAQDQNOKZ-WDEREUQCSA-N 0 3 323.368 2.436 20 5 DEBDHN C[C@H](N[C@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@@H]1CN(C)CCO1 ZINC000618572005 363530883 /nfs/dbraw/zinc/53/08/83/363530883.db2.gz FETJJQMBHUQYFB-ZLIFDBKOSA-N 0 3 319.405 2.281 20 5 DEBDHN CCOc1cc(CN2CCC[C@@H](CC(N)=O)C2)ccc1[N+](=O)[O-] ZINC000276940670 213191033 /nfs/dbraw/zinc/19/10/33/213191033.db2.gz SCFITPLMKOICJT-LBPRGKRZSA-N 0 3 321.377 2.081 20 5 DEBDHN COCC(C)(C)N1CCN(Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000425504620 283211278 /nfs/dbraw/zinc/21/12/78/283211278.db2.gz MJIQUQWZZNQEPU-UHFFFAOYSA-N 0 3 321.421 2.446 20 5 DEBDHN CCNC(=O)C(C)(C)CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000578765731 356870139 /nfs/dbraw/zinc/87/01/39/356870139.db2.gz LLMMSLJUTTWCSM-ZDUSSCGKSA-N 0 3 305.378 2.334 20 5 DEBDHN CCCN(CCN(C)C)C(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000435865319 283231175 /nfs/dbraw/zinc/23/11/75/283231175.db2.gz AMWYPVSVMNOAMS-UHFFFAOYSA-N 0 3 309.366 2.017 20 5 DEBDHN CCOc1cc(CN(C)C[C@H](C)C(=O)OC)ccc1[N+](=O)[O-] ZINC000276886789 213155675 /nfs/dbraw/zinc/15/56/75/213155675.db2.gz JNEKXFZADCLGMA-NSHDSACASA-N 0 3 310.350 2.234 20 5 DEBDHN C[C@@H](NCc1ccc(CC(N)=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000589344834 357465490 /nfs/dbraw/zinc/46/54/90/357465490.db2.gz NRTOAYKKPZXMQF-GFCCVEGCSA-N 0 3 313.357 2.473 20 5 DEBDHN C[C@@H](CC(C)(C)O)NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590657647 357574285 /nfs/dbraw/zinc/57/42/85/357574285.db2.gz JGIFXLPZDYYSSH-JTQLQIEISA-N 0 3 310.350 2.005 20 5 DEBDHN CC[C@H]1CN(CC)CCN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000590723769 357592305 /nfs/dbraw/zinc/59/23/05/357592305.db2.gz GXJCZYCUKLPPQE-LBPRGKRZSA-N 0 3 315.377 2.459 20 5 DEBDHN COC(=O)[C@@H]1CCC[C@@H]1NCc1cc([N+](=O)[O-])ccc1OC ZINC000590751394 357600459 /nfs/dbraw/zinc/60/04/59/357600459.db2.gz WGKMGZBVDZHKLF-OLZOCXBDSA-N 0 3 308.334 2.035 20 5 DEBDHN O=C1NCCC[C@@H]1CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000591245192 357694061 /nfs/dbraw/zinc/69/40/61/357694061.db2.gz QREAYGHGUBKHJM-IUODEOHRSA-N 0 3 303.362 2.088 20 5 DEBDHN CCOc1ccc([C@H](C)NC[C@@H]2CCCNC2=O)cc1[N+](=O)[O-] ZINC000591243897 357694297 /nfs/dbraw/zinc/69/42/97/357694297.db2.gz OBAMAUKLIZWHTP-AAEUAGOBSA-N 0 3 321.377 2.170 20 5 DEBDHN CN1C[C@@H]2CCCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)[C@@H]2C1 ZINC000591853373 357769034 /nfs/dbraw/zinc/76/90/34/357769034.db2.gz ZLSJDUNBLDLIIN-SMDDNHRTSA-N 0 3 316.361 2.262 20 5 DEBDHN COC[C@H](C)N(C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000179365930 199022674 /nfs/dbraw/zinc/02/26/74/199022674.db2.gz FVXVKUIOOAQBTA-LBPRGKRZSA-N 0 3 318.377 2.462 20 5 DEBDHN COC(=O)[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000592515465 357891836 /nfs/dbraw/zinc/89/18/36/357891836.db2.gz GVHLRKHCDFFGCN-OJWNKBRNSA-N 0 3 304.346 2.349 20 5 DEBDHN CC(C)[C@H]1CN(c2nc3sccn3c2[N+](=O)[O-])CCN1C ZINC000487101055 283303779 /nfs/dbraw/zinc/30/37/79/283303779.db2.gz ZLARCTVGZDOCAT-SNVBAGLBSA-N 0 3 309.395 2.080 20 5 DEBDHN CCCN(C(=O)c1ccc([N+](=O)[O-])c(OC)c1)[C@@H]1CCN(C)C1 ZINC000592830952 357953397 /nfs/dbraw/zinc/95/33/97/357953397.db2.gz JCXGYENAQBOTLY-CYBMUJFWSA-N 0 3 321.377 2.160 20 5 DEBDHN Cc1cncc(CCN(C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000593030917 357991838 /nfs/dbraw/zinc/99/18/38/357991838.db2.gz QLFYPZIGOQEUFK-UHFFFAOYSA-N 0 3 300.362 2.410 20 5 DEBDHN C[C@@H](CN1CCCCC1)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593404356 358070764 /nfs/dbraw/zinc/07/07/64/358070764.db2.gz TVSYWGGOGPGJRN-LBPRGKRZSA-N 0 3 323.368 2.267 20 5 DEBDHN CC(C)N1CCC[C@@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593613602 358111146 /nfs/dbraw/zinc/11/11/46/358111146.db2.gz UEAIOTDIZDBYEW-CQSZACIVSA-N 0 3 323.368 2.265 20 5 DEBDHN CN(C)C(=O)CCCN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000593967436 358179904 /nfs/dbraw/zinc/17/99/04/358179904.db2.gz SAIWWJYAYOKPFY-UHFFFAOYSA-N 0 3 305.378 2.428 20 5 DEBDHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1F ZINC000594200277 358222431 /nfs/dbraw/zinc/22/24/31/358222431.db2.gz KMNROKJTSNWMPW-HUUCEWRRSA-N 0 3 321.352 2.481 20 5 DEBDHN CCc1nn(C)c(N[C@@H]2CCCN3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594598670 358301487 /nfs/dbraw/zinc/30/14/87/358301487.db2.gz HFPFRROYYXKMMF-OLZOCXBDSA-N 0 3 307.398 2.320 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCc1cnn(C)c1 ZINC000595010360 358377913 /nfs/dbraw/zinc/37/79/13/358377913.db2.gz BJAIESFOJNQTNV-LLVKDONJSA-N 0 3 304.350 2.230 20 5 DEBDHN O=[N+]([O-])c1ccc(OCCNCc2ccnn2CC2CC2)cc1 ZINC000594923122 358359339 /nfs/dbraw/zinc/35/93/39/358359339.db2.gz IQLXRDJQAZDYAG-UHFFFAOYSA-N 0 3 316.361 2.370 20 5 DEBDHN CO[C@@H](CNC(C)(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000595418169 358443165 /nfs/dbraw/zinc/44/31/65/358443165.db2.gz DARURJPZFUWOSB-WFASDCNBSA-N 0 3 308.378 2.471 20 5 DEBDHN Cc1noc(CN2CC[C@H]3[C@H](CCCN3C3CC3)C2)c1[N+](=O)[O-] ZINC000595388901 358437100 /nfs/dbraw/zinc/43/71/00/358437100.db2.gz YOMZZCZHCFBHLP-OCCSQVGLSA-N 0 3 320.393 2.340 20 5 DEBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@H]([C@@H]3CCCCO3)C2)c1 ZINC000595785617 358548637 /nfs/dbraw/zinc/54/86/37/358548637.db2.gz FSTMUCJSUQFWCQ-ZFWWWQNUSA-N 0 3 308.382 2.072 20 5 DEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000595744984 358539003 /nfs/dbraw/zinc/53/90/03/358539003.db2.gz XJPCPWVWZJWBLB-DYEKYZERSA-N 0 3 303.362 2.256 20 5 DEBDHN CS[C@@H]1CN(c2c(Cl)cncc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000596179928 358631748 /nfs/dbraw/zinc/63/17/48/358631748.db2.gz RNVJAFYHSKVIPS-GHMZBOCLSA-N 0 3 316.814 2.125 20 5 DEBDHN CCCN1CC[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000598341650 359168882 /nfs/dbraw/zinc/16/88/82/359168882.db2.gz FHHSKAZISVTFBP-LBPRGKRZSA-N 0 3 316.361 2.290 20 5 DEBDHN CCCN1CC[C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000598343120 359170181 /nfs/dbraw/zinc/17/01/81/359170181.db2.gz RDBNFTFDNJWLJV-LBPRGKRZSA-N 0 3 323.418 2.287 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCCN1CC[C@H](O)C1)CCCC2 ZINC000599093027 359402183 /nfs/dbraw/zinc/40/21/83/359402183.db2.gz MHKCOFQXFLEFHQ-DOTOQJQBSA-N 0 3 319.405 2.019 20 5 DEBDHN CN(C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CCC(=O)N(C)C1 ZINC000600179209 359677570 /nfs/dbraw/zinc/67/75/70/359677570.db2.gz VQMSVBZDSNAVNX-BRLPQQTGSA-N 0 3 303.362 2.161 20 5 DEBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)CN(C)C1CCC1 ZINC000600823335 359838052 /nfs/dbraw/zinc/83/80/52/359838052.db2.gz BWIWOWOXQBZJPC-UHFFFAOYSA-N 0 3 305.378 2.080 20 5 DEBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@@H]2CC[C@@H](O)C2)c1 ZINC000188846204 200311727 /nfs/dbraw/zinc/31/17/27/200311727.db2.gz UQWWTSPCDYNKCT-BXKDBHETSA-N 0 3 316.304 2.447 20 5 DEBDHN CC(C)Oc1nc(N2C[C@@H]3CCN(C)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000601183974 359955857 /nfs/dbraw/zinc/95/58/57/359955857.db2.gz DZTKJRVRKBFLJY-QWHCGFSZSA-N 0 3 320.393 2.165 20 5 DEBDHN Cc1nccn1CCNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602530218 360420432 /nfs/dbraw/zinc/42/04/32/360420432.db2.gz FQKMXMKOTJHCCX-UHFFFAOYSA-N 0 3 301.306 2.031 20 5 DEBDHN CC(=O)Nc1ccc(CNCCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000602639934 360472987 /nfs/dbraw/zinc/47/29/87/360472987.db2.gz LSTNEMWFEDZZSE-UHFFFAOYSA-N 0 3 314.345 2.281 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCN(CCC(C)(C)C)CC1 ZINC000602765005 360541177 /nfs/dbraw/zinc/54/11/77/360541177.db2.gz TVERQRDZOPYQQO-UHFFFAOYSA-N 0 3 323.441 2.154 20 5 DEBDHN C[C@@]1(CCCO)CCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000271987929 209362083 /nfs/dbraw/zinc/36/20/83/209362083.db2.gz DCJJHKHTNYRJII-CVEARBPZSA-N 0 3 308.378 2.255 20 5 DEBDHN CCC(O)(CC)CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000604532611 360914213 /nfs/dbraw/zinc/91/42/13/360914213.db2.gz CTLPXLWPBPTQNU-UHFFFAOYSA-N 0 3 310.350 2.007 20 5 DEBDHN COc1ccc(CN2CCN(C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000609600824 361326219 /nfs/dbraw/zinc/32/62/19/361326219.db2.gz HVQGYSHMFVPWAI-UHFFFAOYSA-N 0 3 305.378 2.274 20 5 DEBDHN O=[N+]([O-])c1cc2c(cc1CN[C@H]1CCCSC1)OCCO2 ZINC000610511573 361413218 /nfs/dbraw/zinc/41/32/18/361413218.db2.gz HOGNFJTZIAEWTM-NSHDSACASA-N 0 3 310.375 2.351 20 5 DEBDHN C[C@@H](NCCN1C[C@H]2CC[C@@H](C1)O2)c1ccccc1[N+](=O)[O-] ZINC000611433015 361598500 /nfs/dbraw/zinc/59/85/00/361598500.db2.gz PNKPFAGANGYZBC-MCIONIFRSA-N 0 3 305.378 2.109 20 5 DEBDHN O=[N+]([O-])c1cc(CN(CCO)C2CCOCC2)ccc1Cl ZINC000275485848 212365188 /nfs/dbraw/zinc/36/51/88/212365188.db2.gz FKACSZIEOBVOPK-UHFFFAOYSA-N 0 3 314.769 2.222 20 5 DEBDHN CC1(C)CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[C@@H]1O ZINC000275442474 212334394 /nfs/dbraw/zinc/33/43/94/212334394.db2.gz KQXIXMNYCADWIJ-AWEZNQCLSA-N 0 3 321.377 2.016 20 5 DEBDHN CN(C)C1(CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000275383226 212300724 /nfs/dbraw/zinc/30/07/24/212300724.db2.gz BKVFIKXDRLHPDE-UHFFFAOYSA-N 0 3 320.393 2.221 20 5 DEBDHN CO[C@@H]1CCCC[C@H]1NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000275242624 212218923 /nfs/dbraw/zinc/21/89/23/212218923.db2.gz ORSMMIQXJOMCOK-HUUCEWRRSA-N 0 3 321.377 2.105 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCN1CCO[C@@H](C)C1 ZINC000531704552 284598779 /nfs/dbraw/zinc/59/87/79/284598779.db2.gz HTGNPLJTZIYYFO-KBPBESRZSA-N 0 3 307.394 2.275 20 5 DEBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000492164207 249009666 /nfs/dbraw/zinc/00/96/66/249009666.db2.gz QIEOOBOUTXQRJX-HBZKEIKHSA-N 0 3 315.373 2.207 20 5 DEBDHN CCOc1cc(CN(CC)CCC(=O)OC)ccc1[N+](=O)[O-] ZINC000492660607 249110379 /nfs/dbraw/zinc/11/03/79/249110379.db2.gz YLEOFKSBEPXYGL-UHFFFAOYSA-N 0 3 310.350 2.379 20 5 DEBDHN CN(C[C@H]1CCCN1C)C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493335376 249279609 /nfs/dbraw/zinc/27/96/09/249279609.db2.gz LEILRMRKTASKLL-IQCBXXCUSA-N 0 3 321.352 2.300 20 5 DEBDHN C[C@H](CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)N(C)C1CC1 ZINC000105159734 194080216 /nfs/dbraw/zinc/08/02/16/194080216.db2.gz FLBYMIYQGXEJHA-NEPJUHHUSA-N 0 3 320.393 2.438 20 5 DEBDHN C[C@@H](NC(=O)NC[C@@H](C)N(C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000105159745 194080848 /nfs/dbraw/zinc/08/08/48/194080848.db2.gz FLBYMIYQGXEJHA-VXGBXAGGSA-N 0 3 320.393 2.438 20 5 DEBDHN CCN1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000110996118 194379643 /nfs/dbraw/zinc/37/96/43/194379643.db2.gz SEXKULRSDVLEII-CYBMUJFWSA-N 0 3 321.377 2.208 20 5 DEBDHN CCN(CC)C(=O)C[C@H](C)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000536859205 284978668 /nfs/dbraw/zinc/97/86/68/284978668.db2.gz TTWDZCBCCXWQMS-ZDUSSCGKSA-N 0 3 323.393 2.210 20 5 DEBDHN C[C@]1(CCCO)CCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000271987932 209361972 /nfs/dbraw/zinc/36/19/72/209361972.db2.gz DCJJHKHTNYRJII-HZPDHXFCSA-N 0 3 308.378 2.255 20 5 DEBDHN CCOc1ccc([C@H](C)N[C@H](CCO)COC)cc1[N+](=O)[O-] ZINC000271069942 208598870 /nfs/dbraw/zinc/59/88/70/208598870.db2.gz DVNHSEUFTHFRIX-WCQYABFASA-N 0 3 312.366 2.042 20 5 DEBDHN CC(C)(CNC(=O)c1c(N)cccc1[N+](=O)[O-])N1CCCCC1 ZINC000541857058 285190129 /nfs/dbraw/zinc/19/01/29/285190129.db2.gz AUKHXNSBOSQIRU-UHFFFAOYSA-N 0 3 320.393 2.171 20 5 DEBDHN COc1ccccc1[C@@H](CO)NCCc1ccc([N+](=O)[O-])cc1 ZINC000541981861 285203831 /nfs/dbraw/zinc/20/38/31/285203831.db2.gz VUPWTIVDGNOOCO-MRXNPFEDSA-N 0 3 316.357 2.469 20 5 DEBDHN O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CC[C@H](N2CCCC2)C1 ZINC000543691623 285303157 /nfs/dbraw/zinc/30/31/57/285303157.db2.gz JUJNDRZZJLVMDU-LBPRGKRZSA-N 0 3 322.340 2.436 20 5 DEBDHN COc1ccc(OCCN2[C@H](C)CCC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000122351060 195438709 /nfs/dbraw/zinc/43/87/09/195438709.db2.gz GZHGLGVAARIOQI-CHWSQXEVSA-N 0 3 324.377 2.218 20 5 DEBDHN C[C@H](NC(=O)N[C@H]1CCN(C)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000341074639 132622175 /nfs/dbraw/zinc/62/21/75/132622175.db2.gz ZEPCXIPANJMDCE-DYEKYZERSA-N 0 3 320.393 2.438 20 5 DEBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCO[C@@]3(CCOC3)C2)c(F)c1 ZINC000350312119 132874002 /nfs/dbraw/zinc/87/40/02/132874002.db2.gz NADKNCDGEOPMFX-WFASDCNBSA-N 0 3 310.325 2.162 20 5 DEBDHN CCCCN(C)Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000355615643 133037629 /nfs/dbraw/zinc/03/76/29/133037629.db2.gz YBFDEICARWZJRE-UHFFFAOYSA-N 0 3 310.350 2.379 20 5 DEBDHN O=[N+]([O-])c1cc(F)c(NC[C@@H](O)CN2CCCCC2)c(F)c1 ZINC000121685511 296500865 /nfs/dbraw/zinc/50/08/65/296500865.db2.gz UNEGAXKYLYLHAH-LLVKDONJSA-N 0 3 315.320 2.132 20 5 DEBDHN Cn1nncc1CN[C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000352591537 404478563 /nfs/dbraw/zinc/47/85/63/404478563.db2.gz TWDXWFOWGOGRLG-DOMZBBRYSA-N 0 3 315.377 2.224 20 5 DEBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000246718288 145111693 /nfs/dbraw/zinc/11/16/93/145111693.db2.gz OAVHOHIDFASSCC-QWRGUYRKSA-N 0 3 309.391 2.213 20 5 DEBDHN Cc1ccc(CN(CCN(C)C)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000349034542 146342154 /nfs/dbraw/zinc/34/21/54/146342154.db2.gz DZEXVHZJIZXFJF-MRXNPFEDSA-N 0 3 321.421 2.446 20 5 DEBDHN COCCN(C/C=C\c1ccccc1[N+](=O)[O-])CCN(C)C ZINC000349328778 146369286 /nfs/dbraw/zinc/36/92/86/146369286.db2.gz HKFUXAODDYUPPB-VURMDHGXSA-N 0 3 307.394 2.118 20 5 DEBDHN COc1ccc(OCCN2CCN(C)[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000357064898 147033232 /nfs/dbraw/zinc/03/32/32/147033232.db2.gz JTTIXMJVTDEVKV-QWHCGFSZSA-N 0 3 323.393 2.007 20 5 DEBDHN O=[N+]([O-])c1ccc(OCCN[C@@H](CO)c2cccc(F)c2)cc1 ZINC000359529910 147344870 /nfs/dbraw/zinc/34/48/70/147344870.db2.gz LMHQEDFGRZECDJ-INIZCTEOSA-N 0 3 320.320 2.436 20 5 DEBDHN CCCCN(C)CCNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000112310436 401738410 /nfs/dbraw/zinc/73/84/10/401738410.db2.gz AMPHKMKSVJBPSS-MDZDMXLPSA-N 0 3 305.378 2.456 20 5 DEBDHN CCN1CCC[C@@H]1CNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000110609735 401691902 /nfs/dbraw/zinc/69/19/02/401691902.db2.gz HDJPIUOJTFKGPX-IZPAUZPXSA-N 0 3 321.352 2.348 20 5 DEBDHN CC[C@](C)(O)CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000111384801 401714519 /nfs/dbraw/zinc/71/45/19/401714519.db2.gz ICTYGRJFMFAZDB-ZDUSSCGKSA-N 0 3 304.293 2.447 20 5 DEBDHN CCN1CCCC[C@@H]1CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000111480045 401716809 /nfs/dbraw/zinc/71/68/09/401716809.db2.gz UPBFFUFURZMUBI-OAHLLOKOSA-N 0 3 320.393 2.268 20 5 DEBDHN CC(C)C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)N(C)C ZINC000114377489 401797492 /nfs/dbraw/zinc/79/74/92/401797492.db2.gz SYSDQEPUTPNFAA-LBPRGKRZSA-N 0 3 311.357 2.440 20 5 DEBDHN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC[C@@H](N2CCCC2)C1 ZINC000077510572 401818200 /nfs/dbraw/zinc/81/82/00/401818200.db2.gz PANJMOYNVKGQII-CYBMUJFWSA-N 0 3 321.352 2.434 20 5 DEBDHN COc1ccc(C(=O)N(C)C[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000115438106 401827759 /nfs/dbraw/zinc/82/77/59/401827759.db2.gz QIMJONBYGAWCNX-GFCCVEGCSA-N 0 3 321.377 2.017 20 5 DEBDHN C[C@H]1CCCN(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000131509087 401851729 /nfs/dbraw/zinc/85/17/29/401851729.db2.gz VLZJURYYNDZPIG-LBPRGKRZSA-N 0 3 323.368 2.125 20 5 DEBDHN O=C(NCCN1CCCCC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134606580 401908634 /nfs/dbraw/zinc/90/86/34/401908634.db2.gz LIDUZQLQUIVWJB-UHFFFAOYSA-N 0 3 311.769 2.464 20 5 DEBDHN Cc1ccc([C@H](C)NCCNC(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000566170132 292213658 /nfs/dbraw/zinc/21/36/58/292213658.db2.gz KXAKVODXMHQLHN-LBPRGKRZSA-N 0 3 308.382 2.261 20 5 DEBDHN CCNC(=O)N1CC[C@H](N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000151080493 402014544 /nfs/dbraw/zinc/01/45/44/402014544.db2.gz IZDAERXVHWFACR-YPMHNXCESA-N 0 3 306.366 2.049 20 5 DEBDHN Cn1cc(CN[C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000151146024 402019467 /nfs/dbraw/zinc/01/94/67/402019467.db2.gz LNUIOGIKQXYLLX-HNNXBMFYSA-N 0 3 300.362 2.439 20 5 DEBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000120769029 402001242 /nfs/dbraw/zinc/00/12/42/402001242.db2.gz TXMSERFNHSNLAM-MFKMUULPSA-N 0 3 309.341 2.146 20 5 DEBDHN CN1CC[C@H](CNc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000048552601 402002055 /nfs/dbraw/zinc/00/20/55/402002055.db2.gz VFGNSAMSPAFPOL-MRVPVSSYSA-N 0 3 315.171 2.116 20 5 DEBDHN Cc1ccc([C@@H](C)NC[C@@H](C)N2CCOCC2)cc1[N+](=O)[O-] ZINC000123346034 402123609 /nfs/dbraw/zinc/12/36/09/402123609.db2.gz KMTNFEYKMPIFLJ-ZIAGYGMSSA-N 0 3 307.394 2.275 20 5 DEBDHN CC(C)N1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000124698367 402192587 /nfs/dbraw/zinc/19/25/87/402192587.db2.gz FTNXCVNZBHHRMM-NHYWBVRUSA-N 0 3 323.368 2.121 20 5 DEBDHN CN(C)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000068342003 402194440 /nfs/dbraw/zinc/19/44/40/402194440.db2.gz BSJNCTHBMGGGMP-LLVKDONJSA-N 0 3 311.769 2.414 20 5 DEBDHN Cc1ccc(CN[C@H](C)CCN2CCOCC2)cc1[N+](=O)[O-] ZINC000124206235 402169013 /nfs/dbraw/zinc/16/90/13/402169013.db2.gz VJZAUIQHWVRTKG-CQSZACIVSA-N 0 3 307.394 2.104 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(C(=O)NCCN2CCC(C)CC2)c1 ZINC000067795694 402173187 /nfs/dbraw/zinc/17/31/87/402173187.db2.gz GYBFXRXATRWDQF-UHFFFAOYSA-N 0 3 321.377 2.065 20 5 DEBDHN CN1CCC(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000126088538 402263997 /nfs/dbraw/zinc/26/39/97/402263997.db2.gz RWAUZAYGUHYRRP-UHFFFAOYSA-N 0 3 317.389 2.428 20 5 DEBDHN Cc1ccc([C@H](C)N[C@@H](C)CN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000154980248 402240479 /nfs/dbraw/zinc/24/04/79/402240479.db2.gz LHVMMDJHYKLYMH-GJZGRUSLSA-N 0 3 320.437 2.190 20 5 DEBDHN CN1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000070074374 402256651 /nfs/dbraw/zinc/25/66/51/402256651.db2.gz GEKMKBWFVJIIKI-JTQLQIEISA-N 0 3 311.769 2.320 20 5 DEBDHN CCOC[C@H]1CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000176307018 402298593 /nfs/dbraw/zinc/29/85/93/402298593.db2.gz RKDCRMAIBRRHAX-ZDUSSCGKSA-N 0 3 324.377 2.341 20 5 DEBDHN C[C@H]1CN(C)c2ccccc2CN1CCn1ccc([N+](=O)[O-])n1 ZINC000177392716 402397457 /nfs/dbraw/zinc/39/74/57/402397457.db2.gz IXELTABLCYGUQZ-ZDUSSCGKSA-N 0 3 315.377 2.132 20 5 DEBDHN CN(CCOc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCC[C@H]1O ZINC000245526855 402468456 /nfs/dbraw/zinc/46/84/56/402468456.db2.gz ATYBVBVNIDXPLO-XJKSGUPXSA-N 0 3 308.378 2.457 20 5 DEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCS[C@@H]2CCCC[C@H]21 ZINC000245577887 402472180 /nfs/dbraw/zinc/47/21/80/402472180.db2.gz GZKAOEMVBIRWFP-ZIAGYGMSSA-N 0 3 323.418 2.117 20 5 DEBDHN C[C@@H](C(=O)NCc1cccc([N+](=O)[O-])c1)N1[C@H](C)CC[C@@H]1C ZINC000171281242 402573962 /nfs/dbraw/zinc/57/39/62/402573962.db2.gz KBVCZIRUYXJREC-XQQFMLRXSA-N 0 3 305.378 2.472 20 5 DEBDHN C[C@H](C(=O)NCc1ccccc1[N+](=O)[O-])N1[C@H](C)CC[C@H]1C ZINC000249752497 402640474 /nfs/dbraw/zinc/64/04/74/402640474.db2.gz RQXGMFBFHHSNEN-JHJVBQTASA-N 0 3 305.378 2.472 20 5 DEBDHN CC[C@@H](C)[C@@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182222049 402674022 /nfs/dbraw/zinc/67/40/22/402674022.db2.gz ZOSOOKWKDZOZQD-VXGBXAGGSA-N 0 3 314.407 2.393 20 5 DEBDHN CCc1ccc(C(=O)N2CC[C@H](N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000174170951 402729964 /nfs/dbraw/zinc/72/99/64/402729964.db2.gz PPYJNCCJWZCJRV-HNNXBMFYSA-N 0 3 317.389 2.468 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000174190137 402731126 /nfs/dbraw/zinc/73/11/26/402731126.db2.gz SLKDNXROSXBIIA-CQSZACIVSA-N 0 3 316.361 2.381 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000174190120 402731341 /nfs/dbraw/zinc/73/13/41/402731341.db2.gz SLKDNXROSXBIIA-AWEZNQCLSA-N 0 3 316.361 2.381 20 5 DEBDHN COCCOCCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000175766900 402830437 /nfs/dbraw/zinc/83/04/37/402830437.db2.gz LUQZXGNLMGLQFQ-UHFFFAOYSA-N 0 3 324.377 2.101 20 5 DEBDHN O=[N+]([O-])c1ccc(N2CCN(C[C@H]3CCSC3)CC2)cc1 ZINC000279597607 402959797 /nfs/dbraw/zinc/95/97/97/402959797.db2.gz VYJRERBPFSQAHA-CYBMUJFWSA-N 0 3 307.419 2.470 20 5 DEBDHN Cc1[nH]nc(C(=O)Nc2cc(CN(C)C)ccc2C)c1[N+](=O)[O-] ZINC000267152082 403020265 /nfs/dbraw/zinc/02/02/65/403020265.db2.gz MYPDYKMGRQDOHI-UHFFFAOYSA-N 0 3 317.349 2.249 20 5 DEBDHN Cc1ccc(N2CCN(C[C@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000267368015 403038320 /nfs/dbraw/zinc/03/83/20/403038320.db2.gz JHBDFKHBOFQKSO-CQSZACIVSA-N 0 3 305.378 2.062 20 5 DEBDHN CCOC(=O)[C@@](C)(O)CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000274555953 403066877 /nfs/dbraw/zinc/06/68/77/403066877.db2.gz AVZNDRNWAURVPW-INIZCTEOSA-N 0 3 324.377 2.119 20 5 DEBDHN CN(C)CCN(Cc1ccc(F)cc1)c1c([N+](=O)[O-])ncn1C ZINC000268355487 403076309 /nfs/dbraw/zinc/07/63/09/403076309.db2.gz VTRQEAUETMNLFJ-UHFFFAOYSA-N 0 3 321.356 2.036 20 5 DEBDHN CN(C)[C@]1(CNc2ncc(Cl)cc2[N+](=O)[O-])CCSC1 ZINC000269388994 403135516 /nfs/dbraw/zinc/13/55/16/403135516.db2.gz RLEACDGRVMWJJQ-LBPRGKRZSA-N 0 3 316.814 2.492 20 5 DEBDHN Cc1c(CC(=O)NCC2(N(C)C)CCC2)cccc1[N+](=O)[O-] ZINC000276095199 403145308 /nfs/dbraw/zinc/14/53/08/403145308.db2.gz YGTRDZDEYLKEFK-UHFFFAOYSA-N 0 3 305.378 2.046 20 5 DEBDHN CCOCC[C@H](O)CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000277607292 403236205 /nfs/dbraw/zinc/23/62/05/403236205.db2.gz FOGAFFBRVZDQPQ-INIZCTEOSA-N 0 3 308.378 2.347 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](O)C[C@@H]1C ZINC000292308657 403350669 /nfs/dbraw/zinc/35/06/69/403350669.db2.gz DOZMVLJSLIODND-JSGCOSHPSA-N 0 3 321.377 2.077 20 5 DEBDHN CCN1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000331218905 403354613 /nfs/dbraw/zinc/35/46/13/403354613.db2.gz XKMNOAISTBZULS-UHFFFAOYSA-N 0 3 321.377 2.160 20 5 DEBDHN CC(C)NC(=O)c1ccc(NC[C@H](C)N(C)C)c([N+](=O)[O-])c1 ZINC000298315776 403356577 /nfs/dbraw/zinc/35/65/77/403356577.db2.gz QGIFEUJYJYVKGP-NSHDSACASA-N 0 3 308.382 2.095 20 5 DEBDHN CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1(CO)CC1 ZINC000285577666 403331845 /nfs/dbraw/zinc/33/18/45/403331845.db2.gz SZKNOQVODMYQBX-UHFFFAOYSA-N 0 3 317.345 2.249 20 5 DEBDHN COc1cc(CN[C@@H]2CCC[C@@]2(C)CO)c([N+](=O)[O-])cc1F ZINC000331137791 403337759 /nfs/dbraw/zinc/33/77/59/403337759.db2.gz DEPXRLWLILDHEX-CABCVRRESA-N 0 3 312.341 2.383 20 5 DEBDHN Cc1c(C(=O)N2CC[C@@]3(CCN(C)C3)C2)cccc1[N+](=O)[O-] ZINC000292265979 403338484 /nfs/dbraw/zinc/33/84/84/403338484.db2.gz PWMNGTIFNDDSFM-MRXNPFEDSA-N 0 3 303.362 2.071 20 5 DEBDHN C[C@@H]1CCC[C@@H]1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000331680487 403451143 /nfs/dbraw/zinc/45/11/43/403451143.db2.gz SVDIXLBQEBZZCV-RISCZKNCSA-N 0 3 303.362 2.262 20 5 DEBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H](N)CC(F)F ZINC000345752910 403470163 /nfs/dbraw/zinc/47/01/63/403470163.db2.gz UIBHNKXOBLRFLS-GFCCVEGCSA-N 0 3 315.320 2.314 20 5 DEBDHN O=[N+]([O-])c1ccc2oc(CN[C@@H]3CCC[C@@H]3CCO)nc2c1 ZINC000286242947 403480251 /nfs/dbraw/zinc/48/02/51/403480251.db2.gz RWJGWFXFZZORKN-ZYHUDNBSSA-N 0 3 305.334 2.377 20 5 DEBDHN CN(CCN1CCCC1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000343434329 403589533 /nfs/dbraw/zinc/58/95/33/403589533.db2.gz TXXUHPYBSOMBPM-UHFFFAOYSA-N 0 3 316.361 2.244 20 5 DEBDHN CN(CCN1CCCC1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000343435439 403589607 /nfs/dbraw/zinc/58/96/07/403589607.db2.gz ZIOCXKYUUWENAM-UHFFFAOYSA-N 0 3 316.361 2.244 20 5 DEBDHN CC[C@@H](C(=O)NCc1cc([N+](=O)[O-])ccc1OC)N(CC)CC ZINC000343622625 403666780 /nfs/dbraw/zinc/66/67/80/403666780.db2.gz NXMOHABGILOQFY-AWEZNQCLSA-N 0 3 323.393 2.340 20 5 DEBDHN CCCN1CCC[C@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000343626104 403667774 /nfs/dbraw/zinc/66/77/74/403667774.db2.gz XVXNEMQKNUUQDF-ZDUSSCGKSA-N 0 3 309.341 2.338 20 5 DEBDHN Cc1ncc2c(n1)CC[C@H](NCc1csc([N+](=O)[O-])c1)C2 ZINC000368825028 403871156 /nfs/dbraw/zinc/87/11/56/403871156.db2.gz VFYNNDGTLTUEOC-LBPRGKRZSA-N 0 3 304.375 2.402 20 5 DEBDHN CC(C)Oc1cc(C(=O)NCCN(C)C2CC2)ccc1[N+](=O)[O-] ZINC000411610982 403910530 /nfs/dbraw/zinc/91/05/30/403910530.db2.gz HDUJKWONQSIBFT-UHFFFAOYSA-N 0 3 321.377 2.206 20 5 DEBDHN C[C@H]1CC[C@H](C)N1CC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000344272092 404023142 /nfs/dbraw/zinc/02/31/42/404023142.db2.gz VIANUEQPCCVUIF-STQMWFEESA-N 0 3 305.378 2.126 20 5 DEBDHN CC[C@H](C)N1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000295947608 404024825 /nfs/dbraw/zinc/02/48/25/404024825.db2.gz GXLQZEPCNGSCOY-AWEZNQCLSA-N 0 3 307.394 2.390 20 5 DEBDHN CC(C)N1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000344275509 404024952 /nfs/dbraw/zinc/02/49/52/404024952.db2.gz PEDSQFPIZVBMTJ-UHFFFAOYSA-N 0 3 309.341 2.290 20 5 DEBDHN C[C@@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)[C@H](C)CN1C ZINC000351960750 404035717 /nfs/dbraw/zinc/03/57/17/404035717.db2.gz WBVQHIQUJMLMDT-ZIAGYGMSSA-N 0 3 307.394 2.388 20 5 DEBDHN COC(=O)[C@@]1(C)CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000337471447 404047165 /nfs/dbraw/zinc/04/71/65/404047165.db2.gz WDEGBWFUWUQQEL-LRDDRELGSA-N 0 3 322.361 2.105 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](CO)[C@H]1CCCOC1 ZINC000411992564 404050040 /nfs/dbraw/zinc/05/00/40/404050040.db2.gz WYPOFUDPEZEDSS-XEZPLFJOSA-N 0 3 308.378 2.341 20 5 DEBDHN Cc1nnc([C@H]2CCN(Cc3c(F)cccc3[N+](=O)[O-])C2)[nH]1 ZINC000412026885 404064884 /nfs/dbraw/zinc/06/48/84/404064884.db2.gz KDAQUWHNCKJAIP-JTQLQIEISA-N 0 3 305.313 2.150 20 5 DEBDHN CN(C[C@@H](O)COc1cccc(Cl)c1[N+](=O)[O-])C1CC1 ZINC000296153748 404118993 /nfs/dbraw/zinc/11/89/93/404118993.db2.gz MUAKHZNCKOHZIF-SNVBAGLBSA-N 0 3 300.742 2.082 20 5 DEBDHN CO[C@@H](C)[C@@H](C)N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000290469817 404181712 /nfs/dbraw/zinc/18/17/12/404181712.db2.gz GGICAHLYJWRIIC-WOPDTQHZSA-N 0 3 309.366 2.243 20 5 DEBDHN Cn1cc(C[C@@H]2CCN(Cc3cccc([N+](=O)[O-])c3)C2)cn1 ZINC000370002510 404299357 /nfs/dbraw/zinc/29/93/57/404299357.db2.gz PSRPNUUFAYJVTF-AWEZNQCLSA-N 0 3 300.362 2.393 20 5 DEBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H]3COCCO3)o2)cc1 ZINC000338717641 404494782 /nfs/dbraw/zinc/49/47/82/404494782.db2.gz YTMPJJPXMBCEJN-OAHLLOKOSA-N 0 3 318.329 2.360 20 5 DEBDHN CC(=O)N1CC[C@@H](NC/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000345044851 404515405 /nfs/dbraw/zinc/51/54/05/404515405.db2.gz RPEDBVJJKIECCI-LDCOFTPGSA-N 0 3 303.362 2.209 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000344923005 404448855 /nfs/dbraw/zinc/44/88/55/404448855.db2.gz WDIJATCHTUDMMJ-PWSUYJOCSA-N 0 3 322.365 2.208 20 5 DEBDHN COc1cc(C[NH2+]C[C@H]2CCC[C@@H](CO)C2)c([N+](=O)[O-])cc1[O-] ZINC000342246320 404465390 /nfs/dbraw/zinc/46/53/90/404465390.db2.gz MEDQQHVHVHFOPG-NWDGAFQWSA-N 0 3 324.377 2.197 20 5 DEBDHN C[C@H](N[C@H]1CCC[C@]1(C)CO)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000351491997 404602608 /nfs/dbraw/zinc/60/26/08/404602608.db2.gz ISCVEJIJJVSJGA-HZUKXOBISA-N 0 3 321.377 2.063 20 5 DEBDHN C[C@@]1(F)CNCCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000414782371 404734193 /nfs/dbraw/zinc/73/41/93/404734193.db2.gz XKPDWOKWKFLAQE-CYBMUJFWSA-N 0 3 301.749 2.382 20 5 DEBDHN Cc1c(NC(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)cccc1[N+](=O)[O-] ZINC000414699088 404711030 /nfs/dbraw/zinc/71/10/30/404711030.db2.gz JGABYADINUOCEV-PWSUYJOCSA-N 0 3 322.365 2.138 20 5 DEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC(C2CCCC2)C1 ZINC000366504269 404804837 /nfs/dbraw/zinc/80/48/37/404804837.db2.gz JWEPXTHXJLQSJX-OAHLLOKOSA-N 0 3 320.389 2.457 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000415498635 404871475 /nfs/dbraw/zinc/87/14/75/404871475.db2.gz ISXQLLQQQHMDTF-GXFFZTMASA-N 0 3 322.365 2.138 20 5 DEBDHN Cc1cc(C(=O)Nc2cnc3c(c2)CNCC3)ccc1[N+](=O)[O-] ZINC000378408888 404956722 /nfs/dbraw/zinc/95/67/22/404956722.db2.gz XYPSFZXBWPNQKI-UHFFFAOYSA-N 0 3 312.329 2.196 20 5 DEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000415733085 404925958 /nfs/dbraw/zinc/92/59/58/404925958.db2.gz AQLKGGQBXNEOBT-MNOVXSKESA-N 0 3 306.366 2.371 20 5 DEBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(N(C)C)CC1 ZINC000416309023 405099485 /nfs/dbraw/zinc/09/94/85/405099485.db2.gz UATGAGYMRFLMKX-AWEZNQCLSA-N 0 3 319.405 2.374 20 5 DEBDHN CC[C@@H](C)N1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000451846405 405063275 /nfs/dbraw/zinc/06/32/75/405063275.db2.gz REAWTDWNOTVVEM-GFCCVEGCSA-N 0 3 317.393 2.387 20 5 DEBDHN CC(C)N(CCN(C)C)C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000568347655 292332663 /nfs/dbraw/zinc/33/26/63/292332663.db2.gz FQVDTEPYUKGWOC-CYBMUJFWSA-N 0 3 307.394 2.497 20 5 DEBDHN CC(C)[C@]1(CO)CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000368075058 405227075 /nfs/dbraw/zinc/22/70/75/405227075.db2.gz PRWSWVRTLJHWON-MRXNPFEDSA-N 0 3 308.378 2.314 20 5 DEBDHN CN1C[C@@H]2CCCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000425057155 405239255 /nfs/dbraw/zinc/23/92/55/405239255.db2.gz MBTAUELPMLXAGB-IINYFYTJSA-N 0 3 323.780 2.414 20 5 DEBDHN C[C@H](CNc1c(C(N)=O)cccc1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000420590493 405358556 /nfs/dbraw/zinc/35/85/56/405358556.db2.gz VMMYMYSGQLSUBH-NWDGAFQWSA-N 0 3 320.393 2.226 20 5 DEBDHN CCOc1cc(CN[C@@]2(CCOC)CCOC2)ccc1[N+](=O)[O-] ZINC000447382640 405412269 /nfs/dbraw/zinc/41/22/69/405412269.db2.gz JHULTUBQAUTMKU-INIZCTEOSA-N 0 3 324.377 2.279 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@H](O)COCC1CC1)CCC2 ZINC000447535091 405417413 /nfs/dbraw/zinc/41/74/13/405417413.db2.gz CPQPQOUDZSBILN-RDJZCZTQSA-N 0 3 320.389 2.349 20 5 DEBDHN Cc1ccc([C@H](C)NCCN2CCCOCC2)cc1[N+](=O)[O-] ZINC000429681190 405443431 /nfs/dbraw/zinc/44/34/31/405443431.db2.gz BRXAOQUJDUJUOG-AWEZNQCLSA-N 0 3 307.394 2.276 20 5 DEBDHN CCCN(CCN(C)C)C(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000430678729 405487118 /nfs/dbraw/zinc/48/71/18/405487118.db2.gz JYNIMKVSMSDJOJ-UHFFFAOYSA-N 0 3 323.393 2.082 20 5 DEBDHN CO[C@H]1COCC[C@@H]1CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000449463012 405571987 /nfs/dbraw/zinc/57/19/87/405571987.db2.gz VVTZHLPKTRDWAS-RISCZKNCSA-N 0 3 314.769 2.389 20 5 DEBDHN Cc1c(NC(=O)[C@H](C)N[C@@]2(C)CCO[C@H]2C)cccc1[N+](=O)[O-] ZINC000494208596 405663104 /nfs/dbraw/zinc/66/31/04/405663104.db2.gz MEBOMXRTKMQEGZ-MKBNYLNASA-N 0 3 321.377 2.387 20 5 DEBDHN COc1cc(C[NH2+]CCC[C@H]2CCOC2)c([N+](=O)[O-])cc1[O-] ZINC000449684985 405691988 /nfs/dbraw/zinc/69/19/88/405691988.db2.gz QRTMEZYTGBWZAB-NSHDSACASA-N 0 3 310.350 2.215 20 5 DEBDHN CNc1c(C(=O)N(C)[C@@H]2CCN(C(C)C)C2)cccc1[N+](=O)[O-] ZINC000457093341 405696003 /nfs/dbraw/zinc/69/60/03/405696003.db2.gz NZGBUHRQDSSERS-GFCCVEGCSA-N 0 3 320.393 2.191 20 5 DEBDHN C[C@H](C(=O)NC(C)(C)CN(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000457236697 405764300 /nfs/dbraw/zinc/76/43/00/405764300.db2.gz KSAOYBBGBCYPRS-JTQLQIEISA-N 0 3 311.357 2.294 20 5 DEBDHN CC1(C)C[C@@H](NC[C@@H]2COCCO2)c2cc([N+](=O)[O-])ccc21 ZINC000433170593 405885656 /nfs/dbraw/zinc/88/56/56/405885656.db2.gz XYVYAGJWBOJEKT-IUODEOHRSA-N 0 3 306.362 2.322 20 5 DEBDHN CC(C)[C@@H](N)c1cn(Cc2c(F)cc([N+](=O)[O-])cc2F)nn1 ZINC000603249587 405904572 /nfs/dbraw/zinc/90/45/72/405904572.db2.gz ZFKBWZZCKMGDIK-CYBMUJFWSA-N 0 3 311.292 2.169 20 5 DEBDHN CC[C@@](C)(N)c1cn(Cc2c(F)cc([N+](=O)[O-])cc2F)nn1 ZINC000603248136 405905066 /nfs/dbraw/zinc/90/50/66/405905066.db2.gz QGBNLEKMBDWFQW-CYBMUJFWSA-N 0 3 311.292 2.097 20 5 DEBDHN O=[N+]([O-])c1ccccc1/C=C\CNC1(CO)CCSCC1 ZINC000459684353 406006404 /nfs/dbraw/zinc/00/64/04/406006404.db2.gz BEBGHXCZBPHZIS-HYXAFXHYSA-N 0 3 308.403 2.456 20 5 DEBDHN C[C@H](C(=O)N(C)C[C@H]1CCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000569684568 406289289 /nfs/dbraw/zinc/28/92/89/406289289.db2.gz WSSSOXBXZTWFIT-SWLSCSKDSA-N 0 3 305.378 2.251 20 5 DEBDHN C[C@@H]1[C@@H](Nc2c3ccccc3ncc2[N+](=O)[O-])CCCN1C ZINC000488130592 406296795 /nfs/dbraw/zinc/29/67/95/406296795.db2.gz SSBWJYGSBCNVEA-YPMHNXCESA-N 0 3 300.362 2.460 20 5 DEBDHN O=C(CCNCc1ccncc1)Nc1ccccc1[N+](=O)[O-] ZINC000548826120 406557529 /nfs/dbraw/zinc/55/75/29/406557529.db2.gz UNXVAHVZHKQIBB-UHFFFAOYSA-N 0 3 300.318 2.108 20 5 DEBDHN C[C@@H]1CCN(CCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000525803839 406503212 /nfs/dbraw/zinc/50/32/12/406503212.db2.gz SLUYKLYTLSWUIY-SNVBAGLBSA-N 0 3 311.769 2.320 20 5 DEBDHN O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CCN(C2CC2)C1 ZINC000491564431 406624392 /nfs/dbraw/zinc/62/43/92/406624392.db2.gz WZKQJJQSTSQTNM-IUAZIXFQSA-N 0 3 319.336 2.100 20 5 DEBDHN CCc1ccc(C(=O)N2[C@@H]3CC[C@H]2CCN(C)C3)cc1[N+](=O)[O-] ZINC000552419197 406709124 /nfs/dbraw/zinc/70/91/24/406709124.db2.gz FCQSKUOYHABDMG-LSDHHAIUSA-N 0 3 317.389 2.466 20 5 DEBDHN C[C@H]1CSCCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411298472 227381666 /nfs/dbraw/zinc/38/16/66/227381666.db2.gz VGCYISGLNJKOOG-NSHDSACASA-N 0 3 309.391 2.361 20 5 DEBDHN CC(C)Oc1nc(N[C@@H]2C[C@@H](C)N(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000594566131 425013298 /nfs/dbraw/zinc/01/32/98/425013298.db2.gz AWPAWFFTCOLKQL-VXGBXAGGSA-N 0 3 320.393 2.814 20 5 DEBDHN CN1CC[C@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000272370784 277174857 /nfs/dbraw/zinc/17/48/57/277174857.db2.gz GOPVWHLRLWCAEX-SMDDNHRTSA-N 0 3 304.350 2.153 20 5 DEBDHN CS(=O)(=O)[C@H]1CCC[C@@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000077459171 278117699 /nfs/dbraw/zinc/11/76/99/278117699.db2.gz PZNSUTWETCOGNR-OCCSQVGLSA-N 0 3 312.391 2.040 20 5 DEBDHN CS[C@@H]1CN(c2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1N(C)C ZINC000270385481 278156904 /nfs/dbraw/zinc/15/69/04/278156904.db2.gz QTXHJENSASZIOR-VXGBXAGGSA-N 0 3 317.361 2.355 20 5 DEBDHN CS[C@@H]1CN(c2ncc([N+](=O)[O-])s2)C[C@H]1N1CCCC1 ZINC000281806948 278157757 /nfs/dbraw/zinc/15/77/57/278157757.db2.gz GOWRFDSRWMAVHF-NXEZZACHSA-N 0 3 314.436 2.067 20 5 DEBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000248404302 278259604 /nfs/dbraw/zinc/25/96/04/278259604.db2.gz PYJLVWFERBPLAJ-RYUDHWBXSA-N 0 3 321.381 2.232 20 5 DEBDHN C[C@H](N[C@H]1CCC(=O)N[C@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000340614493 278280739 /nfs/dbraw/zinc/28/07/39/278280739.db2.gz NKDMBAKIVOMQNQ-FSBGKCOPSA-N 0 3 303.362 2.303 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)CCN1CCOCC1 ZINC000182744017 281020396 /nfs/dbraw/zinc/02/03/96/281020396.db2.gz BSADPWOOEHFNLQ-AWEZNQCLSA-N 0 3 307.394 2.228 20 5 DEBDHN Cc1cccc(N2CCN(CC(C)(C)O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000275436739 281228122 /nfs/dbraw/zinc/22/81/22/281228122.db2.gz JMDYOSKWDQCLAP-CYBMUJFWSA-N 0 3 307.394 2.185 20 5 DEBDHN NC(=O)c1cccc([N+](=O)[O-])c1NC[C@@H]1CCCCN1C1CC1 ZINC000420613976 295189972 /nfs/dbraw/zinc/18/99/72/295189972.db2.gz UZNMSYFEOFYCHB-LBPRGKRZSA-N 0 3 318.377 2.123 20 5 DEBDHN CCOc1ccc(C(=O)NC[C@@H]2CCCCN2C)cc1[N+](=O)[O-] ZINC001349865446 1151300768 /nfs/dbraw/zinc/30/07/68/1151300768.db2.gz VUKJQTRWLHTKCN-ZDUSSCGKSA-N 0 3 321.377 2.208 20 5 DEBDHN O=C1C[C@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])[C@H]2CCCCN12 ZINC000574171928 326129871 /nfs/dbraw/zinc/12/98/71/326129871.db2.gz PJAREVJJZJOCJR-OFQRWUPVSA-N 0 3 315.373 2.325 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000414666923 534343728 /nfs/dbraw/zinc/34/37/28/534343728.db2.gz XBZDWUCRVDGYQH-GWCFXTLKSA-N 0 3 322.365 2.138 20 5 DEBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1ccn(C)c1 ZINC000158508301 524387095 /nfs/dbraw/zinc/38/70/95/524387095.db2.gz SYWHHVPPEKAXEV-LBPRGKRZSA-N 0 3 316.361 2.440 20 5 DEBDHN Cc1ccc(NCCCNC(=O)CN(C)C(C)C)c([N+](=O)[O-])c1 ZINC000129202637 525275816 /nfs/dbraw/zinc/27/58/16/525275816.db2.gz ONYZKRPRVBYXPA-UHFFFAOYSA-N 0 3 322.409 2.162 20 5 DEBDHN C[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)N1[C@H](C)CC[C@@H]1C ZINC000249757845 526079502 /nfs/dbraw/zinc/07/95/02/526079502.db2.gz VMRMHBZOWLMVOG-FRRDWIJNSA-N 0 3 305.378 2.472 20 5 DEBDHN CN1CC[C@](O)(CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000358308410 536482270 /nfs/dbraw/zinc/48/22/70/536482270.db2.gz OULKOXPRZAAUMD-LBPRGKRZSA-N 0 3 319.283 2.092 20 5 DEBDHN CC(C)(CC(N)=O)NCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000294631383 526982467 /nfs/dbraw/zinc/98/24/67/526982467.db2.gz PIGYJZXYCBQCDG-UHFFFAOYSA-N 0 3 319.283 2.357 20 5 DEBDHN CN(C)C[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccc(F)cc1 ZINC000359782228 535952797 /nfs/dbraw/zinc/95/27/97/535952797.db2.gz CZRQXTGIAVZKHC-AWEZNQCLSA-N 0 3 320.324 2.095 20 5 DEBDHN CN1CC[C@@H]2CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)[C@H]2C1 ZINC000374873189 536462915 /nfs/dbraw/zinc/46/29/15/536462915.db2.gz GYKGNHYTSIHZBY-YGRLFVJLSA-N 0 3 323.780 2.414 20 5 DEBDHN Cc1cc(C(=O)N[C@]2(C)CN3CCC2CC3)ccc1[N+](=O)[O-] ZINC000892798857 625618201 /nfs/dbraw/zinc/61/82/01/625618201.db2.gz FIXCQWCLTIYCMR-MRXNPFEDSA-N 0 3 303.362 2.117 20 5 DEBDHN CC(COC(=O)[C@H](c1c(F)cccc1Cl)N(C)C)[N+](=O)[O-] ZINC000813106187 623305152 /nfs/dbraw/zinc/30/51/52/623305152.db2.gz ABDNZSGLXOBGTN-UFBFGSQYSA-N 0 3 318.732 2.290 20 5 DEBDHN CC(COC(=O)CCCOc1ccc(F)cc1F)[N+](=O)[O-] ZINC000813107902 623314895 /nfs/dbraw/zinc/31/48/95/623314895.db2.gz RNHZRGFWOJAJQI-VIFPVBQESA-N 0 3 303.261 2.332 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1CN[C@H]1CCOC12CCOCC2 ZINC000934402452 624873759 /nfs/dbraw/zinc/87/37/59/624873759.db2.gz LXEPWDFFVGOIRZ-HNNXBMFYSA-N 0 3 322.361 2.031 20 5 DEBDHN CCc1[nH]nc(C(=O)OC[C@H]2CCCCN2C(C)C)c1[N+](=O)[O-] ZINC000837656667 650240457 /nfs/dbraw/zinc/24/04/57/650240457.db2.gz HGMIXORLNBZGHA-LLVKDONJSA-N 0 3 324.381 2.300 20 5 DEBDHN O=[N+]([O-])c1cc(Cl)ccc1CNCCC1(O)CCOCC1 ZINC000894397925 636999492 /nfs/dbraw/zinc/99/94/92/636999492.db2.gz PNKLQRNAMWTPMB-UHFFFAOYSA-N 0 3 314.769 2.269 20 5 DEBDHN COc1c([O-])ccc(C[NH2+]CCC[C@H]2CCOC2)c1[N+](=O)[O-] ZINC000894770158 637198991 /nfs/dbraw/zinc/19/89/91/637198991.db2.gz ZDSGORGVSXYIDF-NSHDSACASA-N 0 3 310.350 2.215 20 5 DEBDHN C[C@@H]1[C@@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CCN1C ZINC000928435421 637228834 /nfs/dbraw/zinc/22/88/34/637228834.db2.gz RWYYDNBMNCQMNV-YPMHNXCESA-N 0 3 305.378 2.081 20 5 DEBDHN O=[N+]([O-])c1ccc(NC(=S)N2CC[C@H](N3CC=CC3)C2)cc1 ZINC000741859419 638019924 /nfs/dbraw/zinc/01/99/24/638019924.db2.gz AYLICNQVMHFCHW-AWEZNQCLSA-N 0 3 318.402 2.238 20 5 DEBDHN CCOC(=O)Cc1ccc(N[C@@H]2CCN(C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000895734987 638177148 /nfs/dbraw/zinc/17/71/48/638177148.db2.gz BHKCZVIVDRQNNL-DGCLKSJQSA-N 0 3 321.377 2.205 20 5 DEBDHN O=[N+]([O-])c1ccc(CN[C@H]2CNCCC2(F)F)cc1Cl ZINC000841078031 650423943 /nfs/dbraw/zinc/42/39/43/650423943.db2.gz DROZUZMSLGUQIQ-NSHDSACASA-N 0 3 305.712 2.335 20 5 DEBDHN CN(Cc1ccccc1[N+](=O)[O-])C1CCN(C(=O)C2CC2)CC1 ZINC000985190574 639140443 /nfs/dbraw/zinc/14/04/43/639140443.db2.gz HANOOZSCHPYJEV-UHFFFAOYSA-N 0 3 317.389 2.428 20 5 DEBDHN Cc1nn(CN2CCC[C@H]2C[C@@H](C)O)c2ccc([N+](=O)[O-])cc12 ZINC000752812870 639224152 /nfs/dbraw/zinc/22/41/52/639224152.db2.gz OGNDLOKCKCVGDG-YPMHNXCESA-N 0 3 318.377 2.446 20 5 DEBDHN C[C@H]1[C@H](NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCN1C ZINC000925308570 640775906 /nfs/dbraw/zinc/77/59/06/640775906.db2.gz RQZFGEMJZRKOAC-GZMMTYOYSA-N 0 3 312.757 2.462 20 5 DEBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N(CCN(C)C)C1CC1 ZINC000898016775 641001599 /nfs/dbraw/zinc/00/15/99/641001599.db2.gz BWVDZOZKQYWDFM-UHFFFAOYSA-N 0 3 323.418 2.483 20 5 DEBDHN COc1ccc(CC(=O)OCCN2CCCCC2)cc1[N+](=O)[O-] ZINC000770368640 641361093 /nfs/dbraw/zinc/36/10/93/641361093.db2.gz DPZZOQUVSZDAMP-UHFFFAOYSA-N 0 3 322.361 2.175 20 5 DEBDHN CCc1cc(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)[nH]n1 ZINC000774194726 641874862 /nfs/dbraw/zinc/87/48/62/641874862.db2.gz YXYCJUXPONSDTB-KGLIPLIRSA-N 0 3 318.381 2.350 20 5 DEBDHN CCc1cc(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)[nH]n1 ZINC000774194727 641875276 /nfs/dbraw/zinc/87/52/76/641875276.db2.gz YXYCJUXPONSDTB-UONOGXRCSA-N 0 3 318.381 2.350 20 5 DEBDHN COc1cc(CN2CCC[C@H](C3OCCO3)C2)ccc1[N+](=O)[O-] ZINC000778942803 642448653 /nfs/dbraw/zinc/44/86/53/642448653.db2.gz LPKSDHZPIJTUPL-ZDUSSCGKSA-N 0 3 322.361 2.188 20 5 DEBDHN COc1cc([C@H](C)N[C@@H](C)C[S@](C)=O)cc([N+](=O)[O-])c1 ZINC000903147670 643273201 /nfs/dbraw/zinc/27/32/01/643273201.db2.gz MEPYKLHWBGJJSL-VUPYVKPUSA-N 0 3 300.380 2.021 20 5 DEBDHN COc1cc([C@H](C)NCC2([S@@](C)=O)CC2)cc([N+](=O)[O-])c1 ZINC000903166702 643279545 /nfs/dbraw/zinc/27/95/45/643279545.db2.gz DDGLADITOTZVGT-CHNSCGDPSA-N 0 3 312.391 2.165 20 5 DEBDHN Cn1cnc(CN[C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000903351285 643324765 /nfs/dbraw/zinc/32/47/65/643324765.db2.gz JPAQHKGNADUJHB-HNNXBMFYSA-N 0 3 300.362 2.439 20 5 DEBDHN Cc1cnc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000905575605 643957146 /nfs/dbraw/zinc/95/71/46/643957146.db2.gz ITJJGZKFQAFLOR-INIZCTEOSA-N 0 3 301.346 2.430 20 5 DEBDHN Cc1cc([C@@H](C)NCCOc2ccc([N+](=O)[O-])cc2)n(C)n1 ZINC000793543352 644271167 /nfs/dbraw/zinc/27/11/67/644271167.db2.gz ZQJUSFXBGGVMAG-GFCCVEGCSA-N 0 3 304.350 2.366 20 5 DEBDHN CCN1CCCN(C(=O)c2cc(C)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000910282358 645386990 /nfs/dbraw/zinc/38/69/90/645386990.db2.gz FURYCWHLLUCRTH-CYBMUJFWSA-N 0 3 305.378 2.460 20 5 DEBDHN O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CC[C@@H](N2CCCC2)C1 ZINC000804425143 645768708 /nfs/dbraw/zinc/76/87/08/645768708.db2.gz SNRKGCQLQMCIAA-LLVKDONJSA-N 0 3 306.322 2.178 20 5 DEBDHN C/C(=C\C(=O)N1CC[C@@H](N2CCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000912911772 646205396 /nfs/dbraw/zinc/20/53/96/646205396.db2.gz OISBIVFBWVTVPU-SICOMBFOSA-N 0 3 315.373 2.305 20 5 DEBDHN COCC[C@H](COC)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000811517640 646538544 /nfs/dbraw/zinc/53/85/44/646538544.db2.gz YCIVGUGQNSGZBF-LLVKDONJSA-N 0 3 302.758 2.389 20 5 DEBDHN C[C@@H](COC(=O)C1CCN(Cc2ccccc2)CC1)[N+](=O)[O-] ZINC000813099851 646727742 /nfs/dbraw/zinc/72/77/42/646727742.db2.gz FKBWSTCLCVUXLT-ZDUSSCGKSA-N 0 3 306.362 2.107 20 5 DEBDHN CC(C)c1c(C(=O)OCC(C)[N+](=O)[O-])cnn1-c1ccccn1 ZINC000813102508 646728673 /nfs/dbraw/zinc/72/86/73/646728673.db2.gz GXCLPULFSQVEIS-LLVKDONJSA-N 0 3 318.333 2.213 20 5 DEBDHN CC(COC(=O)c1ccc(-c2nc(C3CC3)no2)cc1)[N+](=O)[O-] ZINC000813109626 646730197 /nfs/dbraw/zinc/73/01/97/646730197.db2.gz UVDQAGTXKLOHPZ-SECBINFHSA-N 0 3 317.301 2.436 20 5 DEBDHN CC(COC(=O)c1cc(OCc2ccccc2)ccn1)[N+](=O)[O-] ZINC000813107602 646730279 /nfs/dbraw/zinc/73/02/79/646730279.db2.gz OVPUVWIIVFKEOW-GFCCVEGCSA-N 0 3 316.313 2.483 20 5 DEBDHN CC(COC(=O)c1ccc(F)c(Br)c1)[N+](=O)[O-] ZINC000813112766 646731072 /nfs/dbraw/zinc/73/10/72/646731072.db2.gz KQWMAHYATLOXKZ-LURJTMIESA-N 0 3 306.087 2.410 20 5 DEBDHN CC(C)=CC(=O)NCc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813111218 646731441 /nfs/dbraw/zinc/73/14/41/646731441.db2.gz CZRYBVRSFHDQSA-GFCCVEGCSA-N 0 3 320.345 2.091 20 5 DEBDHN CC(COC(=O)c1ccc(OC2CCOCC2)cc1)[N+](=O)[O-] ZINC000813112886 646731505 /nfs/dbraw/zinc/73/15/05/646731505.db2.gz VTSQHGHVJZQALP-LLVKDONJSA-N 0 3 309.318 2.066 20 5 DEBDHN CC(C)NC(=O)Nc1cccc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813113811 646732145 /nfs/dbraw/zinc/73/21/45/646732145.db2.gz JJUXNKWKJBGHIV-JTQLQIEISA-N 0 3 309.322 2.039 20 5 DEBDHN C[C@H](C[N+](=O)[O-])OC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000814038528 646840560 /nfs/dbraw/zinc/84/05/60/646840560.db2.gz DMGYCVGFFVHCGR-CYBMUJFWSA-N 0 3 306.362 2.107 20 5 DEBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000816952490 647204174 /nfs/dbraw/zinc/20/41/74/647204174.db2.gz MDUXIKBQHIPJQD-GWCFXTLKSA-N 0 3 309.753 2.024 20 5 DEBDHN O=C(CCOc1cccc([N+](=O)[O-])c1)OCCN1CCCCC1 ZINC000915450573 647540755 /nfs/dbraw/zinc/54/07/55/647540755.db2.gz JBANWGDXPCDSSJ-UHFFFAOYSA-N 0 3 322.361 2.393 20 5 DEBDHN CC(C)(C)CCN1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000822676003 648259731 /nfs/dbraw/zinc/25/97/31/648259731.db2.gz AXZSZVAQAKVEET-UHFFFAOYSA-N 0 3 313.442 2.402 20 5 DEBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000830110278 649395251 /nfs/dbraw/zinc/39/52/51/649395251.db2.gz COMRLBCWIZYEJD-SKDRFNHKSA-N 0 3 309.391 2.139 20 5 DEBDHN CC[C@H]1CN(CC)CCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000831970785 649664763 /nfs/dbraw/zinc/66/47/63/649664763.db2.gz FNWIJRMDDCVJIW-HOCLYGCPSA-N 0 3 307.394 2.044 20 5 DEBDHN O=C1CC[C@@H](CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)O1 ZINC000852134869 652349035 /nfs/dbraw/zinc/34/90/35/652349035.db2.gz IOZZGLQJSHCXIH-ZFWWWQNUSA-N 0 3 304.346 2.480 20 5 DEBDHN C[C@H](O)[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000853134146 652507758 /nfs/dbraw/zinc/50/77/58/652507758.db2.gz JRQQGEBSILQHAO-VUCTXSBTSA-N 0 3 316.357 2.340 20 5 DEBDHN O=[N+]([O-])c1cc(CNCCc2nnc3ccccn32)cs1 ZINC000037562590 683883820 /nfs/dbraw/zinc/88/38/20/683883820.db2.gz TZEGEJSYZATHFV-UHFFFAOYSA-N 0 3 303.347 2.031 20 5 DEBDHN COC/C(C)=C\CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000929987014 694064959 /nfs/dbraw/zinc/06/49/59/694064959.db2.gz ITAPNQJNBPHAOM-XLVZXTRVSA-N 0 3 306.366 2.069 20 5 DEBDHN CN1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCC1(C)C ZINC000866112658 687450611 /nfs/dbraw/zinc/45/06/11/687450611.db2.gz HWUAXJAYJPDPJC-UHFFFAOYSA-N 0 3 308.338 2.424 20 5 DEBDHN C[C@@H]1C[C@H](NC(=O)Cc2cccc(F)c2[N+](=O)[O-])CN1C1CC1 ZINC000866457604 687579298 /nfs/dbraw/zinc/57/92/98/687579298.db2.gz QXLVSNHFDXNXCW-PWSUYJOCSA-N 0 3 321.352 2.018 20 5 DEBDHN CC(COC(=O)c1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1)[N+](=O)[O-] ZINC000870378879 688552827 /nfs/dbraw/zinc/55/28/27/688552827.db2.gz ZECFXKSIPZQDTQ-UPJWGTAASA-N 0 3 322.361 2.122 20 5 DEBDHN COCC[C@@H](CO)N[C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872070393 688921726 /nfs/dbraw/zinc/92/17/26/688921726.db2.gz ZHTABSBUNJXWBN-QWRGUYRKSA-N 0 3 314.407 2.365 20 5 DEBDHN C[C@@H](NCCCc1ncn(C)n1)c1c(F)cccc1[N+](=O)[O-] ZINC000872082625 688923431 /nfs/dbraw/zinc/92/34/31/688923431.db2.gz YLBQOQZHCXFJKC-SNVBAGLBSA-N 0 3 307.329 2.146 20 5 DEBDHN C[C@H](NC[C@@H](O)C[C@@](C)(O)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000872209597 688953384 /nfs/dbraw/zinc/95/33/84/688953384.db2.gz WNUKDELNKWNCSW-KNXALSJPSA-N 0 3 308.378 2.157 20 5 DEBDHN CC1(C)[C@H]2[C@H](CCCN2C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1O ZINC000872259164 688966462 /nfs/dbraw/zinc/96/64/62/688966462.db2.gz MYPWYKYSLZOXFI-JJXSEGSLSA-N 0 3 320.389 2.110 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000930861748 694257785 /nfs/dbraw/zinc/25/77/85/694257785.db2.gz GCFQLTBDBYSDRV-NEPJUHHUSA-N 0 3 306.366 2.426 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN[C@@H](C)CN1CCCC1=O ZINC000873016350 689141496 /nfs/dbraw/zinc/14/14/96/689141496.db2.gz KOLCBGYDZIVJKL-LBPRGKRZSA-N 0 3 305.378 2.312 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN[C@H]1CC(=O)N(C2CC2)C1 ZINC000873070258 689153274 /nfs/dbraw/zinc/15/32/74/689153274.db2.gz QWDCVOZIXRWLKB-LBPRGKRZSA-N 0 3 303.362 2.065 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN[C@@H](C)[C@H]1CN(C)CCO1 ZINC000873081801 689155596 /nfs/dbraw/zinc/15/55/96/689155596.db2.gz RLGKUYXGNQEVFV-XJKSGUPXSA-N 0 3 307.394 2.020 20 5 DEBDHN CC[C@H](CO)N1CCN(Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000876777546 689934467 /nfs/dbraw/zinc/93/44/67/689934467.db2.gz QURSNMJIZBCULB-OAHLLOKOSA-N 0 3 321.421 2.100 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000877497196 690131870 /nfs/dbraw/zinc/13/18/70/690131870.db2.gz JLIUXBPQACWXKT-OCCSQVGLSA-N 0 3 319.361 2.142 20 5 DEBDHN CCc1noc(C)c1CNC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877550616 690149001 /nfs/dbraw/zinc/14/90/01/690149001.db2.gz JXJOYGZWDLMPJM-UHFFFAOYSA-N 0 3 305.338 2.143 20 5 DEBDHN Cc1csc([C@@H]2CCN(CCn3c(C)ncc3[N+](=O)[O-])C2)n1 ZINC000880013144 690780597 /nfs/dbraw/zinc/78/05/97/690780597.db2.gz GPURPDVHBSSLCQ-GFCCVEGCSA-N 0 3 321.406 2.354 20 5 DEBDHN C[C@H](NCCN1C[C@H](C)O[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000880092063 690801114 /nfs/dbraw/zinc/80/11/14/690801114.db2.gz ULJXQSVFDJXCBE-IHRRRGAJSA-N 0 3 307.394 2.355 20 5 DEBDHN CN(CCO)CCNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000884825320 691803400 /nfs/dbraw/zinc/80/34/00/691803400.db2.gz QAAMKTHIUZAUNQ-UHFFFAOYSA-N 0 3 322.390 2.054 20 5 DEBDHN C[C@@H](NC(=O)N[C@@H]1CCN(C)[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000925252408 693247146 /nfs/dbraw/zinc/24/71/46/693247146.db2.gz KKHQAZDFZMCDJL-JTNHKYCSSA-N 0 3 306.366 2.048 20 5 DEBDHN COC(C)(C)[C@@H](C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000932368244 694602147 /nfs/dbraw/zinc/60/21/47/694602147.db2.gz CAUCNVDCXYZGLT-LLVKDONJSA-N 0 3 309.366 2.245 20 5 DEBDHN CCN1CCCN(C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC001350263450 1151338741 /nfs/dbraw/zinc/33/87/41/1151338741.db2.gz WXSZMTWFWPKQIJ-UHFFFAOYSA-N 0 3 306.366 2.463 20 5 DEBDHN C[C@H]1CN(c2cnc3ccc([N+](=O)[O-])cc3n2)[C@@H](C)CN1C ZINC001164632916 719164509 /nfs/dbraw/zinc/16/45/09/719164509.db2.gz FTXUKKIIENTCKS-QWRGUYRKSA-N 0 3 301.350 2.067 20 5 DEBDHN C[C@H]1CN(c2cnc3cc([N+](=O)[O-])ccc3n2)[C@@H](C)CN1C ZINC001164640699 719169751 /nfs/dbraw/zinc/16/97/51/719169751.db2.gz VMFRKBXMZWBMHA-QWRGUYRKSA-N 0 3 301.350 2.067 20 5 DEBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC001169006714 785000451 /nfs/dbraw/zinc/00/04/51/785000451.db2.gz JCUOQSXIURJZHS-CZUORRHYSA-N 0 3 307.369 2.393 20 5 DEBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2CCc3cc4c(cc3C2)OCO4)C1 ZINC001169010964 785002668 /nfs/dbraw/zinc/00/26/68/785002668.db2.gz GSESTMKSLJGUAP-FZMZJTMJSA-N 0 3 304.346 2.219 20 5 DEBDHN O=C(C1CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1)C(F)(F)F ZINC001169034576 785011702 /nfs/dbraw/zinc/01/17/02/785011702.db2.gz HZMMELIKYMPULO-ONGXEEELSA-N 0 3 308.300 2.275 20 5 DEBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2CCN(Cc3cccc(F)c3)CC2)C1 ZINC001169023875 785018970 /nfs/dbraw/zinc/01/89/70/785018970.db2.gz GBGLLAAEOBRVJS-RDJZCZTQSA-N 0 3 321.396 2.389 20 5 DEBDHN COc1ccc(C[C@@H](C)NCc2cnccn2)c([N+](=O)[O-])c1 ZINC001170297018 786893223 /nfs/dbraw/zinc/89/32/23/786893223.db2.gz KCBKPWLETBNVCN-LLVKDONJSA-N 0 3 302.334 2.114 20 5 DEBDHN COc1ccc(C[C@@H](C)NC[C@H](O)C(F)(F)F)c([N+](=O)[O-])c1 ZINC001170306193 786903352 /nfs/dbraw/zinc/90/33/52/786903352.db2.gz RJPKPFICXKLHOM-PELKAZGASA-N 0 3 322.283 2.047 20 5 DEBDHN COc1ccc(C[C@H](C)NC[C@H](O)C(F)(F)F)c([N+](=O)[O-])c1 ZINC001170306196 786903393 /nfs/dbraw/zinc/90/33/93/786903393.db2.gz RJPKPFICXKLHOM-UFBFGSQYSA-N 0 3 322.283 2.047 20 5 DEBDHN COc1ccc(C[C@H](C)N(C)Cc2cnn(C)c2)c([N+](=O)[O-])c1 ZINC001170326639 786908921 /nfs/dbraw/zinc/90/89/21/786908921.db2.gz BAZKYJMPXLPQOZ-LBPRGKRZSA-N 0 3 318.377 2.400 20 5 DEBDHN COc1ccc(C[C@@H](C)N2CC[C@@](C)(CO)C2)c([N+](=O)[O-])c1 ZINC001170329066 786911698 /nfs/dbraw/zinc/91/16/98/786911698.db2.gz NVWXOSRTAVLPTD-MLGOLLRUSA-N 0 3 308.378 2.239 20 5 DEBDHN COc1ccc(C[C@H](C)N2CC[C@@H](C)[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC001170335996 786914345 /nfs/dbraw/zinc/91/43/45/786914345.db2.gz SVZNQVSGYNZHHG-WQGACYEGSA-N 0 3 308.378 2.237 20 5 DEBDHN C[C@H](N)c1ccn(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)n1 ZINC001158348864 787616894 /nfs/dbraw/zinc/61/68/94/787616894.db2.gz MEOAGKWSWJSLTF-LURJTMIESA-N 0 3 317.683 2.457 20 5 DEBDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1nccnc1[N+](=O)[O-] ZINC001170679028 788374909 /nfs/dbraw/zinc/37/49/09/788374909.db2.gz NPIWRNXKSURYSH-JTQLQIEISA-N 0 3 310.317 2.257 20 5 DEBDHN CCCN1CC[C@H](NC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])C1 ZINC001118793047 795227207 /nfs/dbraw/zinc/22/72/07/795227207.db2.gz RYJRVOBQXMCVTH-NSHDSACASA-N 0 3 309.341 2.256 20 5 DEBDHN O=[N+]([O-])c1ccc(CNC[C@H](O)C[C@@H](O)c2ccccc2)cc1 ZINC001120472529 795468318 /nfs/dbraw/zinc/46/83/18/795468318.db2.gz OWFLSFDETMPQJF-IAGOWNOFSA-N 0 3 316.357 2.169 20 5 DEBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)o1 ZINC001123559271 795933102 /nfs/dbraw/zinc/93/31/02/795933102.db2.gz QPQCJSZSXDIITR-UHFFFAOYSA-N 0 3 323.736 2.361 20 5 DEBDHN C[C@H](Nc1nc(Cl)cc(Cl)c1[N+](=O)[O-])[C@@H]1CNCCO1 ZINC001159495033 798572258 /nfs/dbraw/zinc/57/22/58/798572258.db2.gz BMIREXOXEYVRCQ-XPUUQOCRSA-N 0 3 321.164 2.085 20 5 DEBDHN CC[NH+](CC)C[C@@H](C)NCc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC001200233076 798600817 /nfs/dbraw/zinc/60/08/17/798600817.db2.gz VOFRDAMSJRAXSO-LLVKDONJSA-N 0 3 311.382 2.129 20 5 DEBDHN CCOC(=O)c1ccc(O[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC001230911945 801529188 /nfs/dbraw/zinc/52/91/88/801529188.db2.gz BFCSYAPRTCSDFK-LBPRGKRZSA-N 0 3 308.334 2.245 20 5 DEBDHN CN(CCCNC(=O)C(C)(F)F)Cc1ccc([N+](=O)[O-])cc1 ZINC001231152989 801592990 /nfs/dbraw/zinc/59/29/90/801592990.db2.gz CDHLZYLHTSOUDB-UHFFFAOYSA-N 0 3 315.320 2.188 20 5 DEBDHN COCCN1CCC(Oc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC001227188891 803213512 /nfs/dbraw/zinc/21/35/12/803213512.db2.gz YRUNYSMWRATYOD-UHFFFAOYSA-N 0 3 310.350 2.093 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1[C@H](C)CN[C@@H](C)[C@@H]1C ZINC001522828837 1069478603 /nfs/dbraw/zinc/47/86/03/1069478603.db2.gz ZMCSFDPHXSXZEN-AGIUHOORSA-N 0 3 305.378 2.423 20 5 DEBDHN O=[N+]([O-])c1cccc(OCCN2CC[C@H](c3cnccn3)C2)c1 ZINC001460858084 1058526230 /nfs/dbraw/zinc/52/62/30/1058526230.db2.gz NFSOGDZOCGXHND-ZDUSSCGKSA-N 0 3 314.345 2.253 20 5 DEBDHN O=C(Nc1cc([N+](=O)[O-])n[nH]1)c1cccc(CN2CCCC2)c1 ZINC001471840954 1060323872 /nfs/dbraw/zinc/32/38/72/1060323872.db2.gz BSRMOMSFAMIYOT-UHFFFAOYSA-N 0 3 315.333 2.166 20 5 DEBDHN Cc1c(NC(=O)C2(N)CC2)cc(Br)cc1[N+](=O)[O-] ZINC001574120428 1069157573 /nfs/dbraw/zinc/15/75/73/1069157573.db2.gz HJXXBMCMHLRIDR-UHFFFAOYSA-N 0 3 314.139 2.096 20 5 DEBDHN CN(C)C[C@H](CO)Nc1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC001559204152 1075115214 /nfs/dbraw/zinc/11/52/14/1075115214.db2.gz WUYOVCTXUQPVGD-SSDOTTSWSA-N 0 3 308.165 2.236 20 5 DEBDHN C[C@@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@H]1C ZINC001590261353 1076603193 /nfs/dbraw/zinc/60/31/93/1076603193.db2.gz NAAYFRNRXCIJRJ-MNOVXSKESA-N 0 3 316.365 2.395 20 5 DEBDHN C[C@@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@H]1C ZINC001590261353 1076603196 /nfs/dbraw/zinc/60/31/96/1076603196.db2.gz NAAYFRNRXCIJRJ-MNOVXSKESA-N 0 3 316.365 2.395 20 5 DEBDHN CCC[N@H+](Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C1CC1 ZINC001590628353 1076662218 /nfs/dbraw/zinc/66/22/18/1076662218.db2.gz ZGTFEKGXZOOGPV-UHFFFAOYSA-N 0 3 302.338 2.149 20 5 DEBDHN CCC[N@@H+](Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C1CC1 ZINC001590628353 1076662219 /nfs/dbraw/zinc/66/22/19/1076662219.db2.gz ZGTFEKGXZOOGPV-UHFFFAOYSA-N 0 3 302.338 2.149 20 5 DEBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC001593466461 1077005611 /nfs/dbraw/zinc/00/56/11/1077005611.db2.gz CPHMTYZELCYMCO-GFCCVEGCSA-N 0 3 314.349 2.007 20 5 DEBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1C[N@H+]1CC[C@@H](C2CC2)C1 ZINC001593466461 1077005615 /nfs/dbraw/zinc/00/56/15/1077005615.db2.gz CPHMTYZELCYMCO-GFCCVEGCSA-N 0 3 314.349 2.007 20 5 DEBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC001593466461 1077005620 /nfs/dbraw/zinc/00/56/20/1077005620.db2.gz CPHMTYZELCYMCO-GFCCVEGCSA-N 0 3 314.349 2.007 20 5 DEBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1C[N@H+]1CC[C@@H](C2CC2)C1 ZINC001593466461 1077005626 /nfs/dbraw/zinc/00/56/26/1077005626.db2.gz CPHMTYZELCYMCO-GFCCVEGCSA-N 0 3 314.349 2.007 20 5 DEBDHN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC001595333408 1077060721 /nfs/dbraw/zinc/06/07/21/1077060721.db2.gz ATPSABYNLYOIJZ-HZMBPMFUSA-N 0 3 321.352 2.255 20 5 DEBDHN C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609165515 1077782109 /nfs/dbraw/zinc/78/21/09/1077782109.db2.gz OYQPIQPNBAXSAN-GWCFXTLKSA-N 0 3 316.365 2.443 20 5 DEBDHN C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609165515 1077782115 /nfs/dbraw/zinc/78/21/15/1077782115.db2.gz OYQPIQPNBAXSAN-GWCFXTLKSA-N 0 3 316.365 2.443 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCc1ccnn1C ZINC001656059386 1080033244 /nfs/dbraw/zinc/03/32/44/1080033244.db2.gz VPAXCSFJCPOTRR-UHFFFAOYSA-N 0 3 304.350 2.059 20 5 DEBDHN C[C@@H](CCO)CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC001656604364 1080106025 /nfs/dbraw/zinc/10/60/25/1080106025.db2.gz FXJOGCMBEFOPML-VIFPVBQESA-N 0 3 304.293 2.304 20 5 DEBDHN CC(C)c1ccc(CN[C@H](C)Cn2cncn2)cc1[N+](=O)[O-] ZINC001656972406 1080142944 /nfs/dbraw/zinc/14/29/44/1080142944.db2.gz SCEMXXUEOOAFMM-GFCCVEGCSA-N 0 3 303.366 2.488 20 5 DEBDHN CC(=O)NCCC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001270088570 1081447420 /nfs/dbraw/zinc/44/74/20/1081447420.db2.gz NRSVWZPREJUZKQ-UHFFFAOYSA-N 0 3 305.378 2.333 20 5 DEBDHN CC[C@@H](N[C@@H]1CC(=O)N(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000181222886 199268052 /nfs/dbraw/zinc/26/80/52/199268052.db2.gz KWBADTDQNBTNDM-IUODEOHRSA-N 0 3 303.362 2.399 20 5 DEBDHN CCOc1ccc([C@H](C)NC[C@]2(O)CCO[C@@H]2C)cc1[N+](=O)[O-] ZINC000278698479 214335879 /nfs/dbraw/zinc/33/58/79/214335879.db2.gz HHMXXUMCYWEIJI-HWWQOWPSSA-N 0 3 324.377 2.184 20 5 DEBDHN CCN(CCn1cc([N+](=O)[O-])ccc1=O)Cc1cccs1 ZINC000179313283 282223797 /nfs/dbraw/zinc/22/37/97/282223797.db2.gz KXUWPGXXXFKBAZ-UHFFFAOYSA-N 0 3 307.375 2.340 20 5 DEBDHN C[C@H](c1ccccc1)N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090511744 185299601 /nfs/dbraw/zinc/29/96/01/185299601.db2.gz YRQBFEZPIHLABU-CYBMUJFWSA-N 0 3 301.346 2.450 20 5 DEBDHN CCNC(=O)N1CC[C@H](N[C@@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000181336254 199282679 /nfs/dbraw/zinc/28/26/79/199282679.db2.gz HMVBUXYXRRZWSJ-ZFWWWQNUSA-N 0 3 320.393 2.439 20 5 DEBDHN Cc1cc(C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000272630029 210032060 /nfs/dbraw/zinc/03/20/60/210032060.db2.gz NBSWRTKLSOZVNI-SWLSCSKDSA-N 0 3 303.362 2.069 20 5 DEBDHN CCN1CCC(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000149111573 186047966 /nfs/dbraw/zinc/04/79/66/186047966.db2.gz OYMCZINUDJXWTF-UHFFFAOYSA-N 0 3 311.769 2.462 20 5 DEBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CC1CCOCC1 ZINC000155919723 186123642 /nfs/dbraw/zinc/12/36/42/186123642.db2.gz PTQMXVSPRBHSQR-GFCCVEGCSA-N 0 3 321.377 2.280 20 5 DEBDHN Cc1cccc(C(=O)N2CCC[C@H]3CN(C)CC[C@H]32)c1[N+](=O)[O-] ZINC000164273640 186154236 /nfs/dbraw/zinc/15/42/36/186154236.db2.gz HOXWYGKXKKKKQA-DZGCQCFKSA-N 0 3 317.389 2.460 20 5 DEBDHN COC(=O)C(C)(C)CCNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000280060988 215346890 /nfs/dbraw/zinc/34/68/90/215346890.db2.gz WWXXJFJXOBXMRR-UHFFFAOYSA-N 0 3 310.350 2.282 20 5 DEBDHN CC(C)C[C@H](CNC(=O)c1ccc([N+](=O)[O-])o1)N1CCCC1 ZINC000042558780 354200233 /nfs/dbraw/zinc/20/02/33/354200233.db2.gz VDEFSJXMNCGCPQ-GFCCVEGCSA-N 0 3 309.366 2.428 20 5 DEBDHN COc1cc(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC000334078417 283022794 /nfs/dbraw/zinc/02/27/94/283022794.db2.gz NBKHRLKFRIZMQI-GWCFXTLKSA-N 0 3 321.377 2.124 20 5 DEBDHN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[C@H](N2CCCCC2)C1 ZINC000076694172 355162771 /nfs/dbraw/zinc/16/27/71/355162771.db2.gz QOKXFBLNRVQQEF-ZDUSSCGKSA-N 0 3 321.352 2.434 20 5 DEBDHN COCCO[C@@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000179336183 356021084 /nfs/dbraw/zinc/02/10/84/356021084.db2.gz UCFTYLUPDUDNFB-MRXNPFEDSA-N 0 3 324.377 2.101 20 5 DEBDHN COCCO[C@@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000179366104 356023162 /nfs/dbraw/zinc/02/31/62/356023162.db2.gz ONSWNMDVOWULLZ-MRXNPFEDSA-N 0 3 308.378 2.265 20 5 DEBDHN CCOC(=O)C[C@H](C)N(C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000182621643 356134805 /nfs/dbraw/zinc/13/48/05/356134805.db2.gz QNYVJTMDFCNADB-NSHDSACASA-N 0 3 310.350 2.377 20 5 DEBDHN C[C@@H]1C[C@@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)CCN1C ZINC000316863560 356431652 /nfs/dbraw/zinc/43/16/52/356431652.db2.gz VTALHZYRKBKIIM-MNOVXSKESA-N 0 3 301.350 2.433 20 5 DEBDHN C[C@H](NCc1ccc([N+](=O)[O-])cc1)c1cccc(-n2cnnn2)c1 ZINC000324182381 356456750 /nfs/dbraw/zinc/45/67/50/356456750.db2.gz IDBIRBKTXMKHER-LBPRGKRZSA-N 0 3 324.344 2.421 20 5 DEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[C@@H](CC(N)=O)C1 ZINC000589209780 357455293 /nfs/dbraw/zinc/45/52/93/357455293.db2.gz SWASMQBQRNQDIM-VDBIKXPHSA-N 0 3 303.362 2.195 20 5 DEBDHN Cn1cc([C@H]2OCCC[C@@H]2NCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000433940741 283260528 /nfs/dbraw/zinc/26/05/28/283260528.db2.gz MKBNNZSWGRWLTR-JKSUJKDBSA-N 0 3 316.361 2.338 20 5 DEBDHN C[C@H](CC(C)(C)O)NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590657648 357573934 /nfs/dbraw/zinc/57/39/34/357573934.db2.gz JGIFXLPZDYYSSH-SNVBAGLBSA-N 0 3 310.350 2.005 20 5 DEBDHN NC(=O)c1ccc(CN2CC[C@@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000591062098 357668043 /nfs/dbraw/zinc/66/80/43/357668043.db2.gz VHQKXSUBLPHMNH-CYBMUJFWSA-N 0 3 303.362 2.316 20 5 DEBDHN CCOC[C@@H](O)CNCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000591764258 357757881 /nfs/dbraw/zinc/75/78/81/357757881.db2.gz AJLWXEIYEAHGLO-LBPRGKRZSA-N 0 3 322.283 2.101 20 5 DEBDHN CCN(CCSC)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000592197415 357849119 /nfs/dbraw/zinc/84/91/19/357849119.db2.gz CCEBOKYESAKRSO-CYBMUJFWSA-N 0 3 314.407 2.019 20 5 DEBDHN CN(CCN1CCCCC1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000593882439 358164160 /nfs/dbraw/zinc/16/41/60/358164160.db2.gz HDXFIMJOUFRIIJ-UHFFFAOYSA-N 0 3 319.405 2.472 20 5 DEBDHN CN(CCN1CCCCC1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000593884151 358164394 /nfs/dbraw/zinc/16/43/94/358164394.db2.gz RHRAWAMBQIVSNL-UHFFFAOYSA-N 0 3 305.378 2.082 20 5 DEBDHN C[C@H](NCCn1ccc([N+](=O)[O-])n1)c1cccc([N+](=O)[O-])c1 ZINC000180396012 199153259 /nfs/dbraw/zinc/15/32/59/199153259.db2.gz CZCBPXKUEFTITE-JTQLQIEISA-N 0 3 305.294 2.050 20 5 DEBDHN CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)OCC(C)[N+](=O)[O-] ZINC000495902668 283349653 /nfs/dbraw/zinc/34/96/53/283349653.db2.gz KRJUSFPLHSEUQI-YGRLFVJLSA-N 0 3 318.370 2.278 20 5 DEBDHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000594199222 358222363 /nfs/dbraw/zinc/22/23/63/358222363.db2.gz HWGWRYAUDRHLPK-CABCVRRESA-N 0 3 303.362 2.342 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H](CO)CC1CC1 ZINC000594984417 358372883 /nfs/dbraw/zinc/37/28/83/358372883.db2.gz UWUXYXDUKDUDKY-CYBMUJFWSA-N 0 3 308.378 2.492 20 5 DEBDHN COCC[C@](C)(O)CN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595009826 358377909 /nfs/dbraw/zinc/37/79/09/358377909.db2.gz SVEMDNUNNKHGCW-ABAIWWIYSA-N 0 3 312.366 2.042 20 5 DEBDHN COC(=O)COc1ccc(CN[C@@]23C[C@@H]2CCC3)cc1[N+](=O)[O-] ZINC000594953580 358367374 /nfs/dbraw/zinc/36/73/74/358367374.db2.gz VEPQBYXDURAHJF-LRDDRELGSA-N 0 3 320.345 2.179 20 5 DEBDHN CC[C@H](NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC000595764903 358543656 /nfs/dbraw/zinc/54/36/56/358543656.db2.gz GSDNPUKFOHBGQG-LBPRGKRZSA-N 0 3 307.350 2.320 20 5 DEBDHN CCCN1CC[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000598342550 359170659 /nfs/dbraw/zinc/17/06/59/359170659.db2.gz KKZBHQUFCCXFKX-LLVKDONJSA-N 0 3 311.769 2.462 20 5 DEBDHN CC(C)[C@@H]1CN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CCN1 ZINC000598569794 359245080 /nfs/dbraw/zinc/24/50/80/359245080.db2.gz FDQAZOMUDLWRJN-DOMZBBRYSA-N 0 3 305.378 2.155 20 5 DEBDHN O=c1[nH]cccc1CN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000599088646 359399891 /nfs/dbraw/zinc/39/98/91/359399891.db2.gz RXTPYODDRGCYNI-OLZOCXBDSA-N 0 3 317.349 2.165 20 5 DEBDHN Cc1ccc(CN2CC[C@H](Nc3c([N+](=O)[O-])ncn3C)C2)cc1 ZINC000601249644 359980928 /nfs/dbraw/zinc/98/09/28/359980928.db2.gz DKZFFGPJJNUITR-AWEZNQCLSA-N 0 3 315.377 2.323 20 5 DEBDHN CN1CC[C@@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000601253451 359982619 /nfs/dbraw/zinc/98/26/19/359982619.db2.gz OFCRPOTZEGZMPU-NEPJUHHUSA-N 0 3 304.350 2.010 20 5 DEBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601576300 360076896 /nfs/dbraw/zinc/07/68/96/360076896.db2.gz VEGHIRPZGCQEJB-NEPJUHHUSA-N 0 3 321.352 2.433 20 5 DEBDHN CCN(C)C(=O)[C@@H](C)N[C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000189397373 200393849 /nfs/dbraw/zinc/39/38/49/200393849.db2.gz QLTHEEYTJMQMPX-QWHCGFSZSA-N 0 3 307.394 2.372 20 5 DEBDHN CC[C@H](C)[C@H](CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1)OC ZINC000602438392 360372532 /nfs/dbraw/zinc/37/25/32/360372532.db2.gz ILMDBDMTOYXLBG-ZFWWWQNUSA-N 0 3 322.409 2.173 20 5 DEBDHN C[C@H]1C[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)CN1C1CC1 ZINC000602567595 360436135 /nfs/dbraw/zinc/43/61/35/360436135.db2.gz HKDLRBOYUOFJFX-WDEREUQCSA-N 0 3 316.361 2.451 20 5 DEBDHN COc1ccc(CNCCc2ccc([N+](=O)[O-])cc2)c(OC)n1 ZINC000602667582 360485003 /nfs/dbraw/zinc/48/50/03/360485003.db2.gz PUPSMAPXRSFDBG-UHFFFAOYSA-N 0 3 317.345 2.339 20 5 DEBDHN CCC(=O)c1ccc(NC[C@H]2CSCCN2)c([N+](=O)[O-])c1 ZINC000603418967 360826179 /nfs/dbraw/zinc/82/61/79/360826179.db2.gz JWTDOLPRWAVSAF-NSHDSACASA-N 0 3 309.391 2.304 20 5 DEBDHN Cc1ccc(NC(=O)N2CC[C@@]3(CCN(C)C3)C2)cc1[N+](=O)[O-] ZINC000292754511 223230383 /nfs/dbraw/zinc/23/03/83/223230383.db2.gz JZZIZILTYGDVFI-MRXNPFEDSA-N 0 3 318.377 2.463 20 5 DEBDHN CC[C@@H](CN1CCCC1)NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000609833862 361343479 /nfs/dbraw/zinc/34/34/79/361343479.db2.gz YYVMVZLSMHXARL-ZDUSSCGKSA-N 0 3 321.377 2.208 20 5 DEBDHN Cc1ccc([C@H](C)NCCn2ccccc2=O)cc1[N+](=O)[O-] ZINC000610805231 361470150 /nfs/dbraw/zinc/47/01/50/361470150.db2.gz CIGZTGNGQOXPNE-ZDUSSCGKSA-N 0 3 301.346 2.416 20 5 DEBDHN CC[C@@H]1CN(C)CCCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000619567140 363828074 /nfs/dbraw/zinc/82/80/74/363828074.db2.gz UUWQZIPGNVNTFX-OAHLLOKOSA-N 0 3 319.405 2.470 20 5 DEBDHN CC[C@@H]1CN(C)CCCN1C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000619578385 363832968 /nfs/dbraw/zinc/83/29/68/363832968.db2.gz HCXGYACJXOCQMP-CYBMUJFWSA-N 0 3 305.378 2.460 20 5 DEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NC[C@](C)(O)C(F)(F)F ZINC000449207426 240193474 /nfs/dbraw/zinc/19/34/74/240193474.db2.gz CABTZZXAJVKKPH-SKDRFNHKSA-N 0 3 306.284 2.429 20 5 DEBDHN C[C@H](N[C@@H]1CCC(=O)N[C@@H]1C1CC1)c1ccccc1[N+](=O)[O-] ZINC000340618419 299358601 /nfs/dbraw/zinc/35/86/01/299358601.db2.gz GIMUSQLEZIPMLF-OWRWGESLSA-N 0 3 303.362 2.303 20 5 DEBDHN CO[C@@H]1CCCC[C@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000275292571 212253966 /nfs/dbraw/zinc/25/39/66/212253966.db2.gz YEANSRCDUXORGU-TZMCWYRMSA-N 0 3 307.350 2.081 20 5 DEBDHN CO[C@@H]1CCCC[C@H]1N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000275199152 212190174 /nfs/dbraw/zinc/19/01/74/212190174.db2.gz HPOKIXPGVLVRLZ-NILFDRSVSA-N 0 3 321.377 2.469 20 5 DEBDHN Cc1ccc(CN2CCC[C@H]2CN2CCOCC2)cc1[N+](=O)[O-] ZINC000092218035 193174759 /nfs/dbraw/zinc/17/47/59/193174759.db2.gz INKXHQAZDRTPFE-INIZCTEOSA-N 0 3 319.405 2.200 20 5 DEBDHN CO[C@@H]1C[C@H](NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1(C)C ZINC000451484983 243016876 /nfs/dbraw/zinc/01/68/76/243016876.db2.gz CFMKCMYGXNTJKX-QWHCGFSZSA-N 0 3 321.377 2.245 20 5 DEBDHN CN(C)c1ncc(CNCCc2ccc([N+](=O)[O-])cc2)s1 ZINC000264362109 203880765 /nfs/dbraw/zinc/88/07/65/203880765.db2.gz ISVRTIYCDRKUTP-UHFFFAOYSA-N 0 3 306.391 2.450 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N(CCN(C)C)C(C)C ZINC000277558090 213616133 /nfs/dbraw/zinc/61/61/33/213616133.db2.gz JOPGUDBPUOMGOY-UHFFFAOYSA-N 0 3 309.366 2.016 20 5 DEBDHN CCN1CCCC[C@H]1C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282518713 217056696 /nfs/dbraw/zinc/05/66/96/217056696.db2.gz PIRLNKOUJXNEPM-INIZCTEOSA-N 0 3 319.405 2.470 20 5 DEBDHN CC[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000271691259 209129141 /nfs/dbraw/zinc/12/91/41/209129141.db2.gz QVOSZVSZCRSIFK-HNNXBMFYSA-N 0 3 301.346 2.497 20 5 DEBDHN C[C@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000492542672 249085683 /nfs/dbraw/zinc/08/56/83/249085683.db2.gz ZCDSDJDPWUKTOY-YBJDMEARSA-N 0 3 315.373 2.375 20 5 DEBDHN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)/C=C\CN(C)C ZINC000493381141 249288133 /nfs/dbraw/zinc/28/81/33/249288133.db2.gz HQFFFSVOBSWATR-WAYWQWQTSA-N 0 3 306.366 2.471 20 5 DEBDHN C[C@H](CNc1ncc(Br)cc1[N+](=O)[O-])N(C)C ZINC000042371392 183260395 /nfs/dbraw/zinc/26/03/95/183260395.db2.gz TUOFFIHFTRRSHR-SSDOTTSWSA-N 0 3 303.160 2.114 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](CC(C)C)N(C)C ZINC000042585656 183287608 /nfs/dbraw/zinc/28/76/08/183287608.db2.gz JAGFGXIYENAXHP-ZDUSSCGKSA-N 0 3 323.393 2.310 20 5 DEBDHN C[C@@H](NCCC(=O)N1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285003713 218252488 /nfs/dbraw/zinc/25/24/88/218252488.db2.gz GWKNBDOFHFDCAP-GFCCVEGCSA-N 0 3 320.393 2.230 20 5 DEBDHN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000285351800 218393939 /nfs/dbraw/zinc/39/39/39/218393939.db2.gz ASXKBNZCDCCZEW-UKRRQHHQSA-N 0 3 305.378 2.378 20 5 DEBDHN CCN1CCCC[C@@H]1CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000110996758 194379389 /nfs/dbraw/zinc/37/93/89/194379389.db2.gz QEKAWKQXCYRSSX-GFCCVEGCSA-N 0 3 309.341 2.338 20 5 DEBDHN CC1(C)C[C@H](NCC(=O)Nc2ccccc2[N+](=O)[O-])C(C)(C)O1 ZINC000155117686 197023142 /nfs/dbraw/zinc/02/31/42/197023142.db2.gz RLMBHDHKTYSJCZ-ZDUSSCGKSA-N 0 3 321.377 2.469 20 5 DEBDHN COC[C@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)C ZINC000543454995 285288687 /nfs/dbraw/zinc/28/86/87/285288687.db2.gz RHTMTOPVEVLAKO-AWEZNQCLSA-N 0 3 310.350 2.222 20 5 DEBDHN CN(CCC(N)=O)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000289538044 221051717 /nfs/dbraw/zinc/05/17/17/221051717.db2.gz HYMSUVTVTFIOOE-UHFFFAOYSA-N 0 3 303.318 2.162 20 5 DEBDHN COC[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000544413153 285348003 /nfs/dbraw/zinc/34/80/03/285348003.db2.gz VUTXFDYDYJWSAS-CQSZACIVSA-N 0 3 309.366 2.102 20 5 DEBDHN C[C@H](N[C@@H](C)[C@H]1CCCOC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000355345743 133019899 /nfs/dbraw/zinc/01/98/99/133019899.db2.gz KMFMRKOVMIYSIN-AVGNSLFASA-N 0 3 321.377 2.327 20 5 DEBDHN CCCN1CCC[C@H]1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000355534029 133032182 /nfs/dbraw/zinc/03/21/82/133032182.db2.gz OMXODZJMJFIIHP-HNNXBMFYSA-N 0 3 305.378 2.428 20 5 DEBDHN CN1CCC[C@@]2(CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C2)C1 ZINC000356248772 133074387 /nfs/dbraw/zinc/07/43/87/133074387.db2.gz CMADWDGWVCNXGO-MRXNPFEDSA-N 0 3 321.352 2.292 20 5 DEBDHN CNC(=O)[C@@H]1CCC[C@H]1N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000358262945 133132202 /nfs/dbraw/zinc/13/22/02/133132202.db2.gz FWLHZPLMBXWZAT-MRVWCRGKSA-N 0 3 305.378 2.469 20 5 DEBDHN C[C@H]1C[C@H](c2cccnc2)N(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000376549806 133299831 /nfs/dbraw/zinc/29/98/31/133299831.db2.gz BEDNJDHARNJNGB-GXTWGEPZSA-N 0 3 301.350 2.269 20 5 DEBDHN C[C@@H](C(=O)NC[C@@H]1CCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000564765934 292109157 /nfs/dbraw/zinc/10/91/57/292109157.db2.gz ORDKOKPQVKEQDN-OLZOCXBDSA-N 0 3 305.378 2.156 20 5 DEBDHN NC(=O)C[C@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255293831 145203763 /nfs/dbraw/zinc/20/37/63/145203763.db2.gz YJPUCYYIQWQACS-LLPBQKLSSA-N 0 3 303.362 2.195 20 5 DEBDHN CCCN(CCN(C)C)C(=O)c1cccc([N+](=O)[O-])c1NC ZINC000317232252 145365197 /nfs/dbraw/zinc/36/51/97/145365197.db2.gz IVXZXEKZYNFYME-UHFFFAOYSA-N 0 3 308.382 2.050 20 5 DEBDHN C[C@H](CN1CCCCC1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344205301 145821524 /nfs/dbraw/zinc/82/15/24/145821524.db2.gz FPTLORJKFDEGNG-LLVKDONJSA-N 0 3 309.341 2.338 20 5 DEBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCCN([C@@H](C)CO)CC1 ZINC000346661416 146119196 /nfs/dbraw/zinc/11/91/96/146119196.db2.gz VZPKFWDCENKPEG-UONOGXRCSA-N 0 3 307.394 2.044 20 5 DEBDHN CC[C@@H](NCC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000348343450 146257594 /nfs/dbraw/zinc/25/75/94/146257594.db2.gz HKVOQVDKVDABSG-TZMCWYRMSA-N 0 3 321.377 2.389 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]([C@H]2CCOC2)C1 ZINC000374402598 148242262 /nfs/dbraw/zinc/24/22/62/148242262.db2.gz TVBYJRONHJVYJV-OLZOCXBDSA-N 0 3 306.362 2.462 20 5 DEBDHN C[C@@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000071954225 401699244 /nfs/dbraw/zinc/69/92/44/401699244.db2.gz WDQQSUWUAIXBOJ-NEPJUHHUSA-N 0 3 320.393 2.226 20 5 DEBDHN C[C@@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000071954226 401699364 /nfs/dbraw/zinc/69/93/64/401699364.db2.gz WDQQSUWUAIXBOJ-RYUDHWBXSA-N 0 3 320.393 2.226 20 5 DEBDHN Cc1c([C@H](C)NC[C@@H](O)COCC2CC2)cccc1[N+](=O)[O-] ZINC000129910598 401811356 /nfs/dbraw/zinc/81/13/56/401811356.db2.gz XSDPOLGBXWARLG-GXTWGEPZSA-N 0 3 308.378 2.341 20 5 DEBDHN Cc1ccc([C@@H](C)NC[C@@H](O)COCC2CC2)cc1[N+](=O)[O-] ZINC000129885395 401809993 /nfs/dbraw/zinc/80/99/93/401809993.db2.gz FMXJYNFRNRQCAU-IUODEOHRSA-N 0 3 308.378 2.341 20 5 DEBDHN O=[N+]([O-])c1ccccc1OCCN1CCC[C@@H](C2OCCO2)C1 ZINC000076293538 401789252 /nfs/dbraw/zinc/78/92/52/401789252.db2.gz DUNJJKDJUFEONW-CYBMUJFWSA-N 0 3 322.361 2.059 20 5 DEBDHN COCCCN(C)CCNc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000078372828 401848627 /nfs/dbraw/zinc/84/86/27/401848627.db2.gz XDKYNPVNQOFCAF-UHFFFAOYSA-N 0 3 309.366 2.178 20 5 DEBDHN CC1CCN(CCNc2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000040444333 401925218 /nfs/dbraw/zinc/92/52/18/401925218.db2.gz DMCXJJXFERADAG-UHFFFAOYSA-N 0 3 309.395 2.448 20 5 DEBDHN CN1CCC(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000135191907 401929825 /nfs/dbraw/zinc/92/98/25/401929825.db2.gz MPOQIGBQQTXFKE-UHFFFAOYSA-N 0 3 317.389 2.428 20 5 DEBDHN C[C@@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)N(C)C1CC1 ZINC000087277202 401930116 /nfs/dbraw/zinc/93/01/16/401930116.db2.gz LUFVMAXLPLXLFD-LBPRGKRZSA-N 0 3 305.378 2.126 20 5 DEBDHN CCCN1CCC[C@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088231207 401931893 /nfs/dbraw/zinc/93/18/93/401931893.db2.gz CHUIQHBLNZHILF-INIZCTEOSA-N 0 3 317.389 2.354 20 5 DEBDHN CC[C@H](NC[C@@H]1CCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000038083182 401921653 /nfs/dbraw/zinc/92/16/53/401921653.db2.gz RVJFSSKXLLINOG-FZMZJTMJSA-N 0 3 312.391 2.070 20 5 DEBDHN C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C)C1 ZINC000046955102 401976436 /nfs/dbraw/zinc/97/64/36/401976436.db2.gz LTFPUBGGHDNTLP-OLZOCXBDSA-N 0 3 305.378 2.445 20 5 DEBDHN CCOc1ccc([C@H](C)NCC[C@H](O)COC)cc1[N+](=O)[O-] ZINC000090950718 401989608 /nfs/dbraw/zinc/98/96/08/401989608.db2.gz AYYRGOBDHJMZHS-AAEUAGOBSA-N 0 3 312.366 2.042 20 5 DEBDHN C[C@@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)CN1C1CC1 ZINC000120559341 401994057 /nfs/dbraw/zinc/99/40/57/401994057.db2.gz QGCPCRYSZIEZDU-ZYHUDNBSSA-N 0 3 321.352 2.018 20 5 DEBDHN COc1ccc(C(=O)N(CCN(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000151989135 402069507 /nfs/dbraw/zinc/06/95/07/402069507.db2.gz FAPDZAWFUIYHCF-UHFFFAOYSA-N 0 3 309.366 2.016 20 5 DEBDHN CC(C)N(CCN(C)C)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000151996962 402070096 /nfs/dbraw/zinc/07/00/96/402070096.db2.gz SHYKWVCJIUYEER-JXMROGBWSA-N 0 3 305.378 2.407 20 5 DEBDHN Cc1c(CC(=O)N(CCN(C)C)C(C)C)cccc1[N+](=O)[O-] ZINC000152022730 402071871 /nfs/dbraw/zinc/07/18/71/402071871.db2.gz QSKPRAKDIXHTSY-UHFFFAOYSA-N 0 3 307.394 2.244 20 5 DEBDHN CN(C)[C@H]1CCCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000067045217 402151172 /nfs/dbraw/zinc/15/11/72/402151172.db2.gz KEWKRUFCJNWNBM-NSHDSACASA-N 0 3 311.769 2.414 20 5 DEBDHN COc1ccc(CN(C)CCn2ccc([N+](=O)[O-])n2)cc1C ZINC000176229548 402292694 /nfs/dbraw/zinc/29/26/94/402292694.db2.gz WSBFCYIWNVJATB-UHFFFAOYSA-N 0 3 304.350 2.240 20 5 DEBDHN CCOC(=O)N1CC[C@@H](N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000185039843 402318828 /nfs/dbraw/zinc/31/88/28/402318828.db2.gz YKNRABOXCWJJGO-DGCLKSJQSA-N 0 3 307.350 2.476 20 5 DEBDHN C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)CN1C1CC1 ZINC000177056985 402364906 /nfs/dbraw/zinc/36/49/06/402364906.db2.gz QMCQCSNNLRPRJS-UWVGGRQHSA-N 0 3 307.325 2.089 20 5 DEBDHN C[C@@H]1C[C@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000177731339 402430947 /nfs/dbraw/zinc/43/09/47/402430947.db2.gz FJJSEQXQVVGQFB-YPMHNXCESA-N 0 3 318.377 2.019 20 5 DEBDHN Cc1c(Br)c(NCCN(C)C)ncc1[N+](=O)[O-] ZINC000165709423 402477901 /nfs/dbraw/zinc/47/79/01/402477901.db2.gz ICLWIJMEJCNILY-UHFFFAOYSA-N 0 3 303.160 2.034 20 5 DEBDHN COCCO[C@H]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000189652993 402550180 /nfs/dbraw/zinc/55/01/80/402550180.db2.gz XDNSBWXHBTYCSZ-INIZCTEOSA-N 0 3 324.377 2.101 20 5 DEBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000566474714 292245235 /nfs/dbraw/zinc/24/52/35/292245235.db2.gz HPILKMZPDUSFJB-DVOMOZLQSA-N 0 3 317.389 2.035 20 5 DEBDHN C[C@@H](CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1)N(C)C1CC1 ZINC000254916127 402672385 /nfs/dbraw/zinc/67/23/85/402672385.db2.gz KDTBNCMTKMFZCI-PWWFUAJNSA-N 0 3 303.362 2.207 20 5 DEBDHN CN(C)C[C@H]1CCCCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173523382 402701562 /nfs/dbraw/zinc/70/15/62/402701562.db2.gz QKHPRWXSGDNZIA-OAHLLOKOSA-N 0 3 305.378 2.080 20 5 DEBDHN CSc1ccc(C(=O)NC[C@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000194746607 402814279 /nfs/dbraw/zinc/81/42/79/402814279.db2.gz AFBRIYUURIXHNF-LLVKDONJSA-N 0 3 309.391 2.141 20 5 DEBDHN CCOc1ccc([C@H](C)N[C@H](C)C[S@](C)=O)cc1[N+](=O)[O-] ZINC000184303744 402834512 /nfs/dbraw/zinc/83/45/12/402834512.db2.gz DDJKQFFGXDZGFO-NNOLRYQLSA-N 0 3 314.407 2.411 20 5 DEBDHN C[C@@H]1CC[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000273428938 403003965 /nfs/dbraw/zinc/00/39/65/403003965.db2.gz KTLQCPSEFBGWKT-NEPJUHHUSA-N 0 3 312.391 2.147 20 5 DEBDHN O=[N+]([O-])c1cc(CNCCc2cn3c(n2)SCC3)cs1 ZINC000274268354 403040300 /nfs/dbraw/zinc/04/03/00/403040300.db2.gz QBZAWJBOLAHQMR-UHFFFAOYSA-N 0 3 310.404 2.291 20 5 DEBDHN CN(C)C[C@H]1CCCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000268174281 403057690 /nfs/dbraw/zinc/05/76/90/403057690.db2.gz QFGKFYSDKXVZBA-GFCCVEGCSA-N 0 3 316.361 2.242 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)CN1CCCCC1 ZINC000277391370 403212963 /nfs/dbraw/zinc/21/29/63/403212963.db2.gz GBDHSWJYNKEYBY-LBPRGKRZSA-N 0 3 321.377 2.208 20 5 DEBDHN CCN(CC(C)(C)O)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000270755622 403220711 /nfs/dbraw/zinc/22/07/11/403220711.db2.gz VSTAQADUFYSIQQ-GFCCVEGCSA-N 0 3 323.393 2.323 20 5 DEBDHN CS[C@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)C[C@@H]1N(C)C ZINC000270386447 403186451 /nfs/dbraw/zinc/18/64/51/403186451.db2.gz RIPSMOKTJGDQLN-QWRGUYRKSA-N 0 3 316.814 2.125 20 5 DEBDHN C[C@H](N[C@@H]1C[C@@H](C)N(C2CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284228031 403255512 /nfs/dbraw/zinc/25/55/12/403255512.db2.gz ULWUKUOQVYKPFE-NTZNESFSSA-N 0 3 304.394 2.453 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCC1(O)CCOCC1 ZINC000285629719 403343336 /nfs/dbraw/zinc/34/33/36/403343336.db2.gz XCKUIJUSKUIQIF-UHFFFAOYSA-N 0 3 324.377 2.015 20 5 DEBDHN O=C(Cc1ccccc1[N+](=O)[O-])NCCN1CCCCCC1 ZINC000298362419 403365823 /nfs/dbraw/zinc/36/58/23/403365823.db2.gz QSNTYPGXJJDVKP-UHFFFAOYSA-N 0 3 305.378 2.130 20 5 DEBDHN C[C@@H]1[C@H](Nc2ncnc3sc([N+](=O)[O-])cc32)CCCN1C ZINC000342834929 403366246 /nfs/dbraw/zinc/36/62/46/403366246.db2.gz LYSSWQABAGXUIL-PSASIEDQSA-N 0 3 307.379 2.494 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCC[C@@H]1CO ZINC000299216520 403549084 /nfs/dbraw/zinc/54/90/84/403549084.db2.gz HTOPWLWPHCTUCM-CQSZACIVSA-N 0 3 321.377 2.079 20 5 DEBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CCCN(C)[C@H]2C)c1 ZINC000343448907 403595174 /nfs/dbraw/zinc/59/51/74/403595174.db2.gz CVTJOQDGHXMENF-JQWIXIFHSA-N 0 3 307.350 2.276 20 5 DEBDHN COc1cc(N2CCN(c3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000301373802 403621679 /nfs/dbraw/zinc/62/16/79/403621679.db2.gz USZDBHFJADKVOS-UHFFFAOYSA-N 0 3 314.345 2.325 20 5 DEBDHN C[C@@H]1C[C@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCN1C ZINC000347259762 403639953 /nfs/dbraw/zinc/63/99/53/403639953.db2.gz DIYLBRHOAIOXOH-MWLCHTKSSA-N 0 3 310.329 2.338 20 5 DEBDHN COC(=O)[C@@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000347320308 403662873 /nfs/dbraw/zinc/66/28/73/403662873.db2.gz WTEJJVXNQYQVTQ-OJWNKBRNSA-N 0 3 304.346 2.491 20 5 DEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC[C@H](C(N)=O)C1 ZINC000347335011 403667839 /nfs/dbraw/zinc/66/78/39/403667839.db2.gz JUQZUJIWGFOADW-BCNIOPEESA-N 0 3 303.362 2.195 20 5 DEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC(C(N)=O)CC1 ZINC000347373195 403684544 /nfs/dbraw/zinc/68/45/44/403684544.db2.gz WUTJEPBNLUUYTC-FMIVXFBMSA-N 0 3 303.362 2.195 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@H]1CC[C@@H](CO)O1)CCC2 ZINC000294364645 403714855 /nfs/dbraw/zinc/71/48/55/403714855.db2.gz QPVOUUKCJJMFKU-YCPHGPKFSA-N 0 3 306.362 2.102 20 5 DEBDHN CCCN(CCO)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000305722699 403919687 /nfs/dbraw/zinc/91/96/87/403919687.db2.gz CXGZBALUINRVBB-UHFFFAOYSA-N 0 3 318.377 2.200 20 5 DEBDHN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)C12CCCN1CCC2 ZINC000290309733 404118076 /nfs/dbraw/zinc/11/80/76/404118076.db2.gz FXQCGLUCMLQPBB-UHFFFAOYSA-N 0 3 323.780 2.493 20 5 DEBDHN COc1cc(CNCCCOC(F)F)c([N+](=O)[O-])cc1OC ZINC000337792312 404244505 /nfs/dbraw/zinc/24/45/05/404244505.db2.gz BMAGKKJEFURYIP-UHFFFAOYSA-N 0 3 320.292 2.331 20 5 DEBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000344719714 404329098 /nfs/dbraw/zinc/32/90/98/404329098.db2.gz ORWCEOBGBMVKOM-OAHLLOKOSA-N 0 3 319.405 2.374 20 5 DEBDHN Cc1cc(F)c(NC(=O)NCC2=CCN(C)CC2)cc1[N+](=O)[O-] ZINC000296796082 404325074 /nfs/dbraw/zinc/32/50/74/404325074.db2.gz QKMNEAGYWWGEGX-UHFFFAOYSA-N 0 3 322.340 2.426 20 5 DEBDHN COc1ccc(CN[C@H](C)Cc2cnn(C)c2)cc1[N+](=O)[O-] ZINC000350483301 404400220 /nfs/dbraw/zinc/40/02/20/404400220.db2.gz UIADPAVASBRXRJ-LLVKDONJSA-N 0 3 304.350 2.058 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](N2CCOCC2)[C@H]1C ZINC000291522598 404412320 /nfs/dbraw/zinc/41/23/20/404412320.db2.gz JJBWWVGEMQQVMI-RHSMWYFYSA-N 0 3 319.405 2.198 20 5 DEBDHN C[C@@H]1C[C@@H]1N1CCN(c2ncc([N+](=O)[O-])cc2F)C[C@@H](C)C1 ZINC000413299262 404423206 /nfs/dbraw/zinc/42/32/06/404423206.db2.gz HHBOPKMXSFIYCA-WDMOLILDSA-N 0 3 308.357 2.295 20 5 DEBDHN CN1CC[C@]2(CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000291773520 404514123 /nfs/dbraw/zinc/51/41/23/404514123.db2.gz MYIQHXFDLZTANV-HNNXBMFYSA-N 0 3 304.350 2.154 20 5 DEBDHN COc1ccc(NC(=O)N[C@@H]2CCCN(C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000345118298 404559627 /nfs/dbraw/zinc/55/96/27/404559627.db2.gz VZAHGEBALBVXBH-ZYHUDNBSSA-N 0 3 322.365 2.208 20 5 DEBDHN CN1CC[C@]2(CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000291917199 404580283 /nfs/dbraw/zinc/58/02/83/404580283.db2.gz RGXNMBBEFYQZGZ-HNNXBMFYSA-N 0 3 304.350 2.154 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H]1CSC[C@@H]1C ZINC000352799002 404631107 /nfs/dbraw/zinc/63/11/07/404631107.db2.gz LNAIGUPSZMMTHG-QWRGUYRKSA-N 0 3 309.391 2.183 20 5 DEBDHN COc1cc(CNCCc2cc(C)no2)c([N+](=O)[O-])cc1OC ZINC000353060811 404734129 /nfs/dbraw/zinc/73/41/29/404734129.db2.gz CZSYQNFFLFNHCP-UHFFFAOYSA-N 0 3 321.333 2.241 20 5 DEBDHN CCN1CCN(CC(C)(C)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000451982169 405118076 /nfs/dbraw/zinc/11/80/76/405118076.db2.gz JOPPWVLXFMXRHU-UHFFFAOYSA-N 0 3 320.437 2.101 20 5 DEBDHN CC1(C)CN(CCOc2ccc([N+](=O)[O-])cc2)[C@@H]2COC[C@@H]21 ZINC000452111882 405173861 /nfs/dbraw/zinc/17/38/61/405173861.db2.gz VYARHTLTZYSQQX-LSDHHAIUSA-N 0 3 306.362 2.330 20 5 DEBDHN O=[N+]([O-])c1ccccc1/C=C\CN(CCO)C1CCOCC1 ZINC000438326169 405242074 /nfs/dbraw/zinc/24/20/74/405242074.db2.gz JJWNQUNMWWWNHV-HYXAFXHYSA-N 0 3 306.362 2.081 20 5 DEBDHN C[C@@H](CN1CCCCCC1)Nc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420607891 405361122 /nfs/dbraw/zinc/36/11/22/405361122.db2.gz CDXCXJAGZJOYBY-LBPRGKRZSA-N 0 3 320.393 2.370 20 5 DEBDHN CCN1CCC(N(C)C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000446116885 405372902 /nfs/dbraw/zinc/37/29/02/405372902.db2.gz FNFVKGNEXOPIBA-UHFFFAOYSA-N 0 3 319.405 2.470 20 5 DEBDHN CN(C[C@@H]1CCCN1C)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000421235019 405458738 /nfs/dbraw/zinc/45/87/38/405458738.db2.gz GOZWNLPPCXOXSY-NSHDSACASA-N 0 3 310.329 2.292 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CCCN1C ZINC000421711582 405606820 /nfs/dbraw/zinc/60/68/20/405606820.db2.gz OXDJPLVVSVMLPW-CYBMUJFWSA-N 0 3 305.378 2.378 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@@H]2CCCN2C)c1 ZINC000421715542 405609798 /nfs/dbraw/zinc/60/97/98/405609798.db2.gz YBYZNSYPSOXLTN-LBPRGKRZSA-N 0 3 321.377 2.160 20 5 DEBDHN CCOc1ccc(C(=O)N(C)C[C@@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000421707636 405601134 /nfs/dbraw/zinc/60/11/34/405601134.db2.gz XZAYJTSVPAQNAF-ZDUSSCGKSA-N 0 3 321.377 2.160 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000421772934 405639938 /nfs/dbraw/zinc/63/99/38/405639938.db2.gz HVEJRBJGHHNILV-QWHCGFSZSA-N 0 3 305.378 2.424 20 5 DEBDHN C[C@H](NC(=O)N1CCN(C)CC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000458890388 405642546 /nfs/dbraw/zinc/64/25/46/405642546.db2.gz OUHVNLUFTKGHIJ-OLZOCXBDSA-N 0 3 320.393 2.391 20 5 DEBDHN COc1cc(C[NH2+]CC(C)(C)C(C)(C)O)c([N+](=O)[O-])cc1[O-] ZINC000449723356 405711271 /nfs/dbraw/zinc/71/12/71/405711271.db2.gz LOHGXNSBKOLFCN-UHFFFAOYSA-N 0 3 312.366 2.196 20 5 DEBDHN CNC(=O)CCCN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000583449836 405744724 /nfs/dbraw/zinc/74/47/24/405744724.db2.gz XRRKNJKTKKKRQS-CQSZACIVSA-N 0 3 305.378 2.300 20 5 DEBDHN CC(C)c1ccc(CNC[C@H]2CCCC(=O)N2)cc1[N+](=O)[O-] ZINC000433206147 405900036 /nfs/dbraw/zinc/90/00/36/405900036.db2.gz HCUJJTHQDICWKU-CYBMUJFWSA-N 0 3 305.378 2.477 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000560624625 405853922 /nfs/dbraw/zinc/85/39/22/405853922.db2.gz VZHAMBPVBBHYBH-GXTWGEPZSA-N 0 3 303.362 2.212 20 5 DEBDHN N[C@H](CC(F)F)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423732732 405932283 /nfs/dbraw/zinc/93/22/83/405932283.db2.gz ZXLOLJCZQNQZLT-GFCCVEGCSA-N 0 3 313.304 2.068 20 5 DEBDHN C[C@H]1COCCN1C1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000562478568 406016228 /nfs/dbraw/zinc/01/62/28/406016228.db2.gz LXZZDLDOHWARKD-AWEZNQCLSA-N 0 3 319.405 2.280 20 5 DEBDHN COc1ccc([C@@H](CO)CNCc2ccccc2[N+](=O)[O-])cc1 ZINC000459749347 406031438 /nfs/dbraw/zinc/03/14/38/406031438.db2.gz MHFAOVIPHVNKCC-OAHLLOKOSA-N 0 3 316.357 2.469 20 5 DEBDHN CCOc1ccc([C@@H](C)NC[C@](C)(O)COC)cc1[N+](=O)[O-] ZINC000534328322 406183172 /nfs/dbraw/zinc/18/31/72/406183172.db2.gz YGQVOVWDRIAFLO-ABAIWWIYSA-N 0 3 312.366 2.042 20 5 DEBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@]2(C1)CCCN(C)C2 ZINC000521277793 406341708 /nfs/dbraw/zinc/34/17/08/406341708.db2.gz ZWZXHLBBNOHGTL-HNNXBMFYSA-N 0 3 307.398 2.042 20 5 DEBDHN CCc1nn(C)c(N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000488755660 406345591 /nfs/dbraw/zinc/34/55/91/406345591.db2.gz TUHQNGJHQPARSB-MBNYWOFBSA-N 0 3 321.425 2.057 20 5 DEBDHN CN1CCC[C@H](CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000521730576 406363873 /nfs/dbraw/zinc/36/38/73/406363873.db2.gz PKKPLXZPMWZFHC-LLVKDONJSA-N 0 3 316.361 2.148 20 5 DEBDHN COC[C@](C)(O)CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000522113389 406390128 /nfs/dbraw/zinc/39/01/28/406390128.db2.gz HZZLOSDPYOBBOT-MRXNPFEDSA-N 0 3 320.345 2.342 20 5 DEBDHN COCCN(CCOc1ccccc1[N+](=O)[O-])[C@H]1CCO[C@@H]1C ZINC000489490030 406412157 /nfs/dbraw/zinc/41/21/57/406412157.db2.gz APXNHHNPENKARK-KGLIPLIRSA-N 0 3 324.377 2.099 20 5 DEBDHN Cn1cc(C(C)(C)NCCOc2ccccc2[N+](=O)[O-])cn1 ZINC000546705372 406375971 /nfs/dbraw/zinc/37/59/71/406375971.db2.gz RMQJREAVOGFTPB-UHFFFAOYSA-N 0 3 304.350 2.232 20 5 DEBDHN CS[C@@H]1CN(c2ncccc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000548120540 406483119 /nfs/dbraw/zinc/48/31/19/406483119.db2.gz MIEQSTJTZWUZHM-CHWSQXEVSA-N 0 3 308.407 2.006 20 5 DEBDHN CS[C@@H]1CN(c2nc(C)ccc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000547708060 406435981 /nfs/dbraw/zinc/43/59/81/406435981.db2.gz UQLHHBSVEATFLK-ZIAGYGMSSA-N 0 3 322.434 2.314 20 5 DEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@@H](C)S(C)(=O)=O ZINC000526046893 406538855 /nfs/dbraw/zinc/53/88/55/406538855.db2.gz YZYHXWHWQNIDIG-SEVUFMINSA-N 0 3 312.391 2.021 20 5 DEBDHN CCN1CCC[C@@H]1CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352362181 425045672 /nfs/dbraw/zinc/04/56/72/425045672.db2.gz UVUBZJDWAVHRSU-CYBMUJFWSA-N 0 3 300.362 3.039 20 5 DEBDHN CS[C@H]1CN(Cc2cccc([N+](=O)[O-])c2C)C[C@@H]1N(C)C ZINC000270625204 268671665 /nfs/dbraw/zinc/67/16/65/268671665.db2.gz FGPOXFSLVIYCTH-GJZGRUSLSA-N 0 3 309.435 2.381 20 5 DEBDHN CSC1(CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000515332228 269349830 /nfs/dbraw/zinc/34/98/30/269349830.db2.gz VMWFEZBKQXKFEY-UHFFFAOYSA-N 0 3 308.407 2.007 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@]1(O)CCOC1)CCCC2 ZINC000417307139 275038500 /nfs/dbraw/zinc/03/85/00/275038500.db2.gz FIVQBZXOQJYMAL-HZPDHXFCSA-N 0 3 306.362 2.103 20 5 DEBDHN O=[N+]([O-])c1cccc(N2CCN(CC[C@H]3CCCO3)CC2)c1 ZINC000188737696 275039393 /nfs/dbraw/zinc/03/93/93/275039393.db2.gz NFRPMYBSXNHFFP-MRXNPFEDSA-N 0 3 305.378 2.286 20 5 DEBDHN CCCN(CCN(C)C)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000104530127 281656145 /nfs/dbraw/zinc/65/61/45/281656145.db2.gz CLTQZLYACXRJPD-MDZDMXLPSA-N 0 3 305.378 2.408 20 5 DEBDHN Cc1ccccc1OC[C@@H](O)CNCc1cccc([N+](=O)[O-])c1 ZINC000390580708 336942261 /nfs/dbraw/zinc/94/22/61/336942261.db2.gz DPIHTSVMCHCURG-INIZCTEOSA-N 0 3 316.357 2.433 20 5 DEBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000156286471 524558293 /nfs/dbraw/zinc/55/82/93/524558293.db2.gz ZUKWBATWIRBAQZ-NHYWBVRUSA-N 0 3 323.368 2.075 20 5 DEBDHN C[C@H](N[C@@H]1CCO[C@@H]1C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000365192539 525572457 /nfs/dbraw/zinc/57/24/57/525572457.db2.gz QQOZTVSWLUEGPU-COLVAYQJSA-N 0 3 319.361 2.079 20 5 DEBDHN CC(C)[C@H]1CN(C)CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000331015810 527852113 /nfs/dbraw/zinc/85/21/13/527852113.db2.gz YEHMVJIWQKUIKV-OAHLLOKOSA-N 0 3 307.394 2.246 20 5 DEBDHN CC(C)Oc1cc(C(=O)NC(C)(C)CN(C)C)ccc1[N+](=O)[O-] ZINC000413861144 528100397 /nfs/dbraw/zinc/10/03/97/528100397.db2.gz NPDNPJTXTVTSCD-UHFFFAOYSA-N 0 3 323.393 2.452 20 5 DEBDHN CCN1CCN(C[C@H](C)CNc2sccc2[N+](=O)[O-])CC1 ZINC000302008976 529148547 /nfs/dbraw/zinc/14/85/47/529148547.db2.gz XLXNVPYTKOFRIR-GFCCVEGCSA-N 0 3 312.439 2.342 20 5 DEBDHN C[C@@H](C(=O)N[C@@]1(C)CN2CCC1CC2)c1cccc([N+](=O)[O-])c1 ZINC000892775272 625581742 /nfs/dbraw/zinc/58/17/42/625581742.db2.gz ZBUKUKRBOQUWHK-PXAZEXFGSA-N 0 3 317.389 2.299 20 5 DEBDHN C[C@]1(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CN2CCC1CC2 ZINC000892799113 625618043 /nfs/dbraw/zinc/61/80/43/625618043.db2.gz IXCNKZVBSYSXPV-IMXKFXGHSA-N 0 3 315.373 2.209 20 5 DEBDHN C[C@@]1(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CN2CCC1CC2 ZINC000892799112 625618473 /nfs/dbraw/zinc/61/84/73/625618473.db2.gz IXCNKZVBSYSXPV-DANOYGIBSA-N 0 3 315.373 2.209 20 5 DEBDHN O=[N+]([O-])c1cnc2ccc(F)cc2c1N[C@H]1CCN(C2CC2)C1 ZINC000891999422 624734951 /nfs/dbraw/zinc/73/49/51/624734951.db2.gz DSEVRRHOBQVTMJ-NSHDSACASA-N 0 3 316.336 2.353 20 5 DEBDHN COc1ccc(CCCC(=O)OCC(C)[N+](=O)[O-])cc1OC ZINC000893046433 625076565 /nfs/dbraw/zinc/07/65/65/625076565.db2.gz BHGXFAQOPYOTCU-NSHDSACASA-N 0 3 311.334 2.235 20 5 DEBDHN CC(COC(=O)[C@@H]1c2ccccc2C(=O)OC12CCC2)[N+](=O)[O-] ZINC000893048810 625079480 /nfs/dbraw/zinc/07/94/80/625079480.db2.gz ZJAIVEOKNFELJO-GWCFXTLKSA-N 0 3 319.313 2.072 20 5 DEBDHN COc1c(O)ccc(CN[C@H]2C[C@@H](OC)C2(C)C)c1[N+](=O)[O-] ZINC000893096131 625107556 /nfs/dbraw/zinc/10/75/56/625107556.db2.gz CQDUPZQRQNTSNI-NWDGAFQWSA-N 0 3 310.350 2.212 20 5 DEBDHN COc1c([O-])ccc(C[NH2+][C@H]2C[C@@H](OC)C2(C)C)c1[N+](=O)[O-] ZINC000893096131 625107557 /nfs/dbraw/zinc/10/75/57/625107557.db2.gz CQDUPZQRQNTSNI-NWDGAFQWSA-N 0 3 310.350 2.212 20 5 DEBDHN CN(CCN1CCCC1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000063052552 634784904 /nfs/dbraw/zinc/78/49/04/634784904.db2.gz HAHOCSXNSBJFGN-UHFFFAOYSA-N 0 3 311.769 2.416 20 5 DEBDHN COc1c([O-])ccc(C[NH2+][C@H](C)[C@@H]2CCCOC2)c1[N+](=O)[O-] ZINC000893472054 633815214 /nfs/dbraw/zinc/81/52/14/633815214.db2.gz JXVADFLAZUDZTI-ZYHUDNBSSA-N 0 3 310.350 2.214 20 5 DEBDHN O=[N+]([O-])c1cc(CNCC2(C3(O)CCOCC3)CC2)cs1 ZINC000922596863 636274349 /nfs/dbraw/zinc/27/43/49/636274349.db2.gz HDFBLFDJDBKHHF-UHFFFAOYSA-N 0 3 312.391 2.068 20 5 DEBDHN COc1c([O-])ccc(C[NH2+]C[C@@H]2CCOC[C@H]2C)c1[N+](=O)[O-] ZINC000894420104 637029871 /nfs/dbraw/zinc/02/98/71/637029871.db2.gz NPHYSWHZHIMSEV-MNOVXSKESA-N 0 3 310.350 2.071 20 5 DEBDHN CC(C)Oc1cc(C(=O)N[C@@H]2CCN(C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000928432204 637191708 /nfs/dbraw/zinc/19/17/08/637191708.db2.gz QIEXYQXHGHOOFQ-DGCLKSJQSA-N 0 3 321.377 2.204 20 5 DEBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000928438909 637236456 /nfs/dbraw/zinc/23/64/56/637236456.db2.gz NDNFNNVMZZMDIV-UAJRFJEFSA-N 0 3 303.362 2.207 20 5 DEBDHN CCOC(=O)Cc1ccc(N[C@H]2CCN(C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000895734984 638176716 /nfs/dbraw/zinc/17/67/16/638176716.db2.gz BHKCZVIVDRQNNL-AAEUAGOBSA-N 0 3 321.377 2.205 20 5 DEBDHN C[C@@H](N[C@H](C)[C@H]1CCS(=O)(=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000896511141 638546857 /nfs/dbraw/zinc/54/68/57/638546857.db2.gz VNOREUPJNNEEPE-WZRBSPASSA-N 0 3 312.391 2.069 20 5 DEBDHN Cn1ccc(CNC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000773130986 641733575 /nfs/dbraw/zinc/73/35/75/641733575.db2.gz IUJGRGOURUQFIB-UHFFFAOYSA-N 0 3 315.377 2.087 20 5 DEBDHN Cc1ccsc1[C@H](CO)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000778160369 642345522 /nfs/dbraw/zinc/34/55/22/642345522.db2.gz UMTNSCRVSVORLR-UONOGXRCSA-N 0 3 322.386 2.321 20 5 DEBDHN CC[C@]1(CO)CCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000778329121 642373601 /nfs/dbraw/zinc/37/36/01/642373601.db2.gz FGFVWDGVXLNCCM-HOTGVXAUSA-N 0 3 308.378 2.113 20 5 DEBDHN COc1cnccc1[C@@H](C)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000782650279 642911691 /nfs/dbraw/zinc/91/16/91/642911691.db2.gz XTGWBCKETVCMNV-IAQYHMDHSA-N 0 3 317.345 2.383 20 5 DEBDHN CN(C(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCN(C)C1 ZINC000903015816 643217654 /nfs/dbraw/zinc/21/76/54/643217654.db2.gz MXHKWFYYCWQOSK-LLVKDONJSA-N 0 3 310.329 2.292 20 5 DEBDHN COc1cc([C@H](C)N[C@H](C)[C@@H](CO)SC)cc([N+](=O)[O-])c1 ZINC000903100672 643249108 /nfs/dbraw/zinc/24/91/08/643249108.db2.gz UNXWURIKEFOZSW-IMSIIYSGSA-N 0 3 314.407 2.366 20 5 DEBDHN CC[S@@](=O)CCN[C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903096248 643254426 /nfs/dbraw/zinc/25/44/26/643254426.db2.gz BHKBXHKXHKJVQX-CFMSYZGJSA-N 0 3 300.380 2.023 20 5 DEBDHN Cc1ccc(CNC[C@H](O)CC2(O)CCCC2)cc1[N+](=O)[O-] ZINC000905405021 643896349 /nfs/dbraw/zinc/89/63/49/643896349.db2.gz NCZFNNZSNGZWER-CQSZACIVSA-N 0 3 308.378 2.049 20 5 DEBDHN CN(C)CCN(C)C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000906881535 644371932 /nfs/dbraw/zinc/37/19/32/644371932.db2.gz AIANAGFHNZFXDZ-UHFFFAOYSA-N 0 3 313.785 2.201 20 5 DEBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)N1CCCC1 ZINC000168653419 646593926 /nfs/dbraw/zinc/59/39/26/646593926.db2.gz HHBJMRSNRLHSBH-JTQLQIEISA-N 0 3 311.769 2.462 20 5 DEBDHN O=[N+]([O-])c1cnc(NC2CCN(C[C@@H]3CCCO3)CC2)c(F)c1 ZINC000840243861 646596655 /nfs/dbraw/zinc/59/66/55/646596655.db2.gz OTICAXWNRFYHGF-ZDUSSCGKSA-N 0 3 324.356 2.184 20 5 DEBDHN CC(COC(=O)c1ccc(OCC(F)(F)F)cc1)[N+](=O)[O-] ZINC000813100073 646727956 /nfs/dbraw/zinc/72/79/56/646727956.db2.gz LRGRRFYJPBYVEZ-MRVPVSSYSA-N 0 3 307.224 2.450 20 5 DEBDHN CC(COC(=O)c1ccc2c(c1)nc(C(F)F)n2C)[N+](=O)[O-] ZINC000813103307 646729021 /nfs/dbraw/zinc/72/90/21/646729021.db2.gz ZXGWHYYWRJWNAQ-SSDOTTSWSA-N 0 3 313.260 2.333 20 5 DEBDHN CC(COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000813104025 646729454 /nfs/dbraw/zinc/72/94/54/646729454.db2.gz WIKIIMPUVTZIKC-SNVBAGLBSA-N 0 3 323.305 2.017 20 5 DEBDHN CC(COC(=O)c1ccc(C(=O)c2cc[nH]c2)cc1)[N+](=O)[O-] ZINC000813109503 646730311 /nfs/dbraw/zinc/73/03/11/646730311.db2.gz JXWOUPMOQQIGQU-SNVBAGLBSA-N 0 3 302.286 2.068 20 5 DEBDHN CCOc1cccc2[nH]cc(CC(=O)OCC(C)[N+](=O)[O-])c21 ZINC000813113663 646732742 /nfs/dbraw/zinc/73/27/42/646732742.db2.gz SIXIXEUYAOKLNR-JTQLQIEISA-N 0 3 306.318 2.318 20 5 DEBDHN COC1([C@@H](C)NCc2cc(F)ccc2[N+](=O)[O-])CCOCC1 ZINC000817296341 647261954 /nfs/dbraw/zinc/26/19/54/647261954.db2.gz GUCGXLWYVLUUSN-LLVKDONJSA-N 0 3 312.341 2.408 20 5 DEBDHN CCN1CCC[C@H](NC(=S)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000918722822 648102633 /nfs/dbraw/zinc/10/26/33/648102633.db2.gz KLBXDUKNZHITKP-LBPRGKRZSA-N 0 3 308.407 2.366 20 5 DEBDHN CN1C[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)[C@@H]2C1 ZINC000822438771 648208335 /nfs/dbraw/zinc/20/83/35/648208335.db2.gz STHLIHCTABTRSF-IINYFYTJSA-N 0 3 323.780 2.414 20 5 DEBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCSC[C@@H]2C2CC2)cc1 ZINC000831778980 649642343 /nfs/dbraw/zinc/64/23/43/649642343.db2.gz ZLTWHPCFBLLKDX-HUUCEWRRSA-N 0 3 308.403 2.456 20 5 DEBDHN CN1C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)[C@H]2C1 ZINC000832691668 649735951 /nfs/dbraw/zinc/73/59/51/649735951.db2.gz QURKTXFCWCTZKU-RNCFNFMXSA-N 0 3 309.753 2.024 20 5 DEBDHN CCn1nncc1C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845884566 651291858 /nfs/dbraw/zinc/29/18/58/651291858.db2.gz ZQSYDCMNCZTVPE-RNCFNFMXSA-N 0 3 322.296 2.000 20 5 DEBDHN N[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC[C@H]1F ZINC000850741038 651977575 /nfs/dbraw/zinc/97/75/75/651977575.db2.gz JWAKNHLSDHIVIL-HTQZYQBOSA-N 0 3 316.720 2.151 20 5 DEBDHN COc1ccccc1[C@H](O)CNCc1ccc([N+](=O)[O-])cc1 ZINC000853092854 652500267 /nfs/dbraw/zinc/50/02/67/652500267.db2.gz PZFCICDWVBEDMI-OAHLLOKOSA-N 0 3 302.330 2.427 20 5 DEBDHN CN1C[C@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3Cl)[C@H]2C1 ZINC000861809664 686186324 /nfs/dbraw/zinc/18/63/24/686186324.db2.gz YEPVJFWBOHFNAL-SKDRFNHKSA-N 0 3 309.753 2.024 20 5 DEBDHN C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])NC[C@@H](O)C(F)(F)F ZINC000866241260 687505097 /nfs/dbraw/zinc/50/50/97/687505097.db2.gz ZXANADVWKSCLLG-RDDDGLTNSA-N 0 3 310.247 2.178 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000930318094 694135205 /nfs/dbraw/zinc/13/52/05/694135205.db2.gz ZSPOYBQHRLIBCH-GXTWGEPZSA-N 0 3 318.377 2.379 20 5 DEBDHN CC(C)(NC[C@H](O)CCC1(O)CCC1)c1ccccc1[N+](=O)[O-] ZINC000930555904 694188442 /nfs/dbraw/zinc/18/84/42/694188442.db2.gz XXUQKIVIPZEKMP-CYBMUJFWSA-N 0 3 322.405 2.476 20 5 DEBDHN CC1(C(=O)N[C@H]2C[C@H](NCc3ccccc3[N+](=O)[O-])C2)CC1 ZINC001020181573 688480751 /nfs/dbraw/zinc/48/07/51/688480751.db2.gz KWZSTQAIMLODSI-JOCQHMNTSA-N 0 3 303.362 2.132 20 5 DEBDHN O=C(CCc1cc(F)ccc1[N+](=O)[O-])N[C@@H]1CCN(C2CC2)C1 ZINC000930674890 694216272 /nfs/dbraw/zinc/21/62/72/694216272.db2.gz JIHFUHMTNDXKED-CYBMUJFWSA-N 0 3 321.352 2.019 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C)C(C)(C)CC1 ZINC000871154178 688736617 /nfs/dbraw/zinc/73/66/17/688736617.db2.gz ZZROSYBYHDMXNR-UHFFFAOYSA-N 0 3 305.378 2.460 20 5 DEBDHN C[C@H](NC[C@H]1CN2CCC[C@H]2CO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872035668 688916977 /nfs/dbraw/zinc/91/69/77/688916977.db2.gz XZLOCLVFPSPASG-AVGNSLFASA-N 0 3 323.368 2.248 20 5 DEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@@H]1CCCC[C@@H]1F ZINC000872219755 688956682 /nfs/dbraw/zinc/95/66/82/688956682.db2.gz XLNWXFAQXDGYCH-RWMBFGLXSA-N 0 3 312.341 2.205 20 5 DEBDHN Cc1c(CNCCOCC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000873150527 689171134 /nfs/dbraw/zinc/17/11/34/689171134.db2.gz LVIZIUGIVYQHBE-UHFFFAOYSA-N 0 3 324.377 2.351 20 5 DEBDHN CCN1CCC[C@H](NC(=O)c2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000874389465 689398265 /nfs/dbraw/zinc/39/82/65/689398265.db2.gz KNLUBJQIXMMXFX-ZDUSSCGKSA-N 0 3 305.378 2.426 20 5 DEBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000874840304 689512231 /nfs/dbraw/zinc/51/22/31/689512231.db2.gz MDFYCVQVRQDJAX-UONOGXRCSA-N 0 3 307.325 2.043 20 5 DEBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000874845924 689515567 /nfs/dbraw/zinc/51/55/67/689515567.db2.gz WWTMNQDYQXTLHC-UONOGXRCSA-N 0 3 307.325 2.043 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC2(CNC(=O)C2)CC1 ZINC000876743810 689924398 /nfs/dbraw/zinc/92/43/98/689924398.db2.gz MNXZUUQTYNQNTM-UHFFFAOYSA-N 0 3 317.389 2.314 20 5 DEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000931495352 694412951 /nfs/dbraw/zinc/41/29/51/694412951.db2.gz JGHXLZLDNUNTRW-SWLSCSKDSA-N 0 3 318.377 2.325 20 5 DEBDHN CC(C)(C)[C@@H](N)c1cn(Cc2ccc([N+](=O)[O-])c(F)c2)nn1 ZINC000881213281 691050810 /nfs/dbraw/zinc/05/08/10/691050810.db2.gz NCFOJADCDWLYFB-ZDUSSCGKSA-N 0 3 307.329 2.420 20 5 DEBDHN C[C@H](NCC[C@@H]1CCCS1(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000883305209 691477935 /nfs/dbraw/zinc/47/79/35/691477935.db2.gz REKYBWILMQOPMM-FZMZJTMJSA-N 0 3 312.391 2.213 20 5 DEBDHN O=[N+]([O-])c1cnn(CCN2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)c1 ZINC000886613865 692133030 /nfs/dbraw/zinc/13/30/30/692133030.db2.gz HCFRYKAHWPBVIG-JQWIXIFHSA-N 0 3 318.299 2.456 20 5 DEBDHN C[C@@H](NC[C@@H](O)COCc1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000932180628 694568704 /nfs/dbraw/zinc/56/87/04/694568704.db2.gz AXNMANXLWHAJSR-IUODEOHRSA-N 0 3 320.345 2.416 20 5 DEBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H](N)C1CCCCC1 ZINC001346017619 1150935052 /nfs/dbraw/zinc/93/50/52/1150935052.db2.gz NMYVIHHUOMOTAX-HNNXBMFYSA-N 0 3 305.378 2.461 20 5 DEBDHN C[C@@H]1CN(c2cnc3ccc([N+](=O)[O-])cc3n2)[C@H](C)CN1C ZINC001164632910 719164118 /nfs/dbraw/zinc/16/41/18/719164118.db2.gz FTXUKKIIENTCKS-GHMZBOCLSA-N 0 3 301.350 2.067 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)c1C ZINC001332758423 1149889108 /nfs/dbraw/zinc/88/91/08/1149889108.db2.gz XNTKTDLLQDOAHL-BXUZGUMPSA-N 0 3 317.389 2.424 20 5 DEBDHN CC(C)N1CC(Nc2ccc([N+](=O)[O-])c3c2CCN(C)C3)C1 ZINC001168317627 780834135 /nfs/dbraw/zinc/83/41/35/780834135.db2.gz PQXFAKZHCVXTEB-UHFFFAOYSA-N 0 3 304.394 2.087 20 5 DEBDHN Cc1sccc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001126839198 780976573 /nfs/dbraw/zinc/97/65/73/780976573.db2.gz XOQFSSSHGVQXEH-UHFFFAOYSA-N 0 3 319.386 2.484 20 5 DEBDHN O=[N+]([O-])C[C@H]1CC[C@H](N[C@H](CO)c2cc(F)ccc2F)C1 ZINC001169006499 785000341 /nfs/dbraw/zinc/00/03/41/785000341.db2.gz YESCNTGVLBHSDK-NURSFMCSSA-N 0 3 300.305 2.033 20 5 DEBDHN O=[N+]([O-])C[C@H]1CC[C@H](NCc2cccnc2Br)C1 ZINC001168988325 785006188 /nfs/dbraw/zinc/00/61/88/785006188.db2.gz QWFRFKKTXWDSGY-ONGXEEELSA-N 0 3 314.183 2.379 20 5 DEBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2CCN(Cc3ccccc3F)CC2)C1 ZINC001169028501 785007669 /nfs/dbraw/zinc/00/76/69/785007669.db2.gz SSBOWLSGWOXVTF-GOEBONIOSA-N 0 3 321.396 2.389 20 5 DEBDHN COc1ccc(C[C@H](C)N2CC[C@@H](C)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC001170335994 786913831 /nfs/dbraw/zinc/91/38/31/786913831.db2.gz SVZNQVSGYNZHHG-BFQNTYOBSA-N 0 3 308.378 2.237 20 5 DEBDHN COc1ccc(C[C@H](C)NCc2cc(C)n(C)n2)c([N+](=O)[O-])c1 ZINC001170307223 786916039 /nfs/dbraw/zinc/91/60/39/786916039.db2.gz FSKPCAJXQQJGHJ-NSHDSACASA-N 0 3 318.377 2.366 20 5 DEBDHN COc1ccc(C[C@@H](C)N2CCC[C@](C)(O)C2)c([N+](=O)[O-])c1 ZINC001170348510 786932296 /nfs/dbraw/zinc/93/22/96/786932296.db2.gz XVAUXWHSDQVLFF-WBMJQRKESA-N 0 3 308.378 2.381 20 5 DEBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)C1(F)CCCC1 ZINC001130620273 787445493 /nfs/dbraw/zinc/44/54/93/787445493.db2.gz ROPXPWBVGYQUDW-UHFFFAOYSA-N 0 3 309.341 2.083 20 5 DEBDHN CNc1ccc(C(=O)N[C@H]2CCCN(C(C)C)C2)cc1[N+](=O)[O-] ZINC001138092190 788354059 /nfs/dbraw/zinc/35/40/59/788354059.db2.gz YSJZVWJKBPHTJQ-ZDUSSCGKSA-N 0 3 320.393 2.239 20 5 DEBDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1nccc(N)c1[N+](=O)[O-] ZINC001170680658 788381137 /nfs/dbraw/zinc/38/11/37/788381137.db2.gz DZEBRDDSMCHDNE-JTQLQIEISA-N 0 3 324.344 2.444 20 5 DEBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NCc1ccn(CCF)n1 ZINC001173225658 793641342 /nfs/dbraw/zinc/64/13/42/793641342.db2.gz UGYMVWZPLXGARJ-LBPRGKRZSA-N 0 3 306.341 2.482 20 5 DEBDHN C[C@@H]1CC[C@H](C)N1CC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001116184620 794942361 /nfs/dbraw/zinc/94/23/61/794942361.db2.gz OUGKUGKDYWYMRA-TXEJJXNPSA-N 0 3 303.362 2.310 20 5 DEBDHN C[C@H](C(=O)NC[C@H]1CCCCN1C)c1ccc([N+](=O)[O-])cc1F ZINC001120727266 795520348 /nfs/dbraw/zinc/52/03/48/795520348.db2.gz TYSZENAYNAUAOI-WCQYABFASA-N 0 3 323.368 2.438 20 5 DEBDHN COc1nc(-n2c3ccccc3nc2[C@@H](C)N)ccc1[N+](=O)[O-] ZINC001155247904 797716792 /nfs/dbraw/zinc/71/67/92/797716792.db2.gz NNVNETXGMPKWNA-SECBINFHSA-N 0 3 313.317 2.357 20 5 DEBDHN C[C@@H](N)c1ccn(-c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)n1 ZINC001158349631 798389460 /nfs/dbraw/zinc/38/94/60/798389460.db2.gz ULNACEZINSELBS-SSDOTTSWSA-N 0 3 318.724 2.397 20 5 DEBDHN C[C@H](N)c1ccn(-c2cc([N+](=O)[O-])cc3c(Cl)ncnc32)n1 ZINC001158355518 798391872 /nfs/dbraw/zinc/39/18/72/798391872.db2.gz JXBPJBYGISHTEX-ZETCQYMHSA-N 0 3 318.724 2.397 20 5 DEBDHN C[C@@H](Nc1nc(Cl)c(Cl)cc1[N+](=O)[O-])[C@H]1CNCCO1 ZINC001159495537 798572041 /nfs/dbraw/zinc/57/20/41/798572041.db2.gz FVTPLJLWRHYABV-HZGVNTEJSA-N 0 3 321.164 2.085 20 5 DEBDHN O=C1NCCC2(CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)O1 ZINC000932761194 799925384 /nfs/dbraw/zinc/92/53/84/799925384.db2.gz CGWUEXUXBHQZHW-UHFFFAOYSA-N 0 3 319.361 2.102 20 5 DEBDHN CN(CCCNC(=O)C(C)(C)F)Cc1ccc([N+](=O)[O-])cc1 ZINC001231130739 801588795 /nfs/dbraw/zinc/58/87/95/801588795.db2.gz LBMYPSCTMWOADP-UHFFFAOYSA-N 0 3 311.357 2.281 20 5 DEBDHN CO[C@@H]1CCN(CCOc2cnc3c(cccc3[N+](=O)[O-])c2)C1 ZINC001231156089 801595238 /nfs/dbraw/zinc/59/52/38/801595238.db2.gz GYWIZEBVRLGRNE-CYBMUJFWSA-N 0 3 317.345 2.243 20 5 DEBDHN COCCN1CCC(Oc2cc(F)c([N+](=O)[O-])cc2F)CC1 ZINC001233598785 802161344 /nfs/dbraw/zinc/16/13/44/802161344.db2.gz GAQGBSFCACJIEU-UHFFFAOYSA-N 0 3 316.304 2.363 20 5 DEBDHN Cc1ccc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])nn1 ZINC001344024780 1150792810 /nfs/dbraw/zinc/79/28/10/1150792810.db2.gz XGAUGXJJBCLIEO-QMTHXVAHSA-N 0 3 319.292 2.487 20 5 DEBDHN CC([C@@H](OC(=O)Cc1cc[nH]n1)c1ccccc1F)[N+](=O)[O-] ZINC001526031965 1070204495 /nfs/dbraw/zinc/20/44/95/1070204495.db2.gz PIEMWNVMRDUDNN-YMTOWFKASA-N 0 3 307.281 2.041 20 5 DEBDHN Cc1[nH]cnc1CC(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001558603589 1075100833 /nfs/dbraw/zinc/10/08/33/1075100833.db2.gz UQQVEHXXPVUUJA-SNVBAGLBSA-N 0 3 302.334 2.089 20 5 DEBDHN CC[C@H]1[C@H](C)CC[N@@H+]1Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590501883 1076641294 /nfs/dbraw/zinc/64/12/94/1076641294.db2.gz GSQOBTYGXWTOIX-MFKMUULPSA-N 0 3 316.365 2.395 20 5 DEBDHN CC[C@H]1[C@H](C)CC[N@H+]1Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590501883 1076641298 /nfs/dbraw/zinc/64/12/98/1076641298.db2.gz GSQOBTYGXWTOIX-MFKMUULPSA-N 0 3 316.365 2.395 20 5 DEBDHN CC[C@H]1[C@H](C)CC[N@@H+]1Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590501883 1076641301 /nfs/dbraw/zinc/64/13/01/1076641301.db2.gz GSQOBTYGXWTOIX-MFKMUULPSA-N 0 3 316.365 2.395 20 5 DEBDHN CC[C@H]1[C@H](C)CC[N@H+]1Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590501883 1076641304 /nfs/dbraw/zinc/64/13/04/1076641304.db2.gz GSQOBTYGXWTOIX-MFKMUULPSA-N 0 3 316.365 2.395 20 5 DEBDHN CC[NH+](CC)CCSc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001590689028 1076668977 /nfs/dbraw/zinc/66/89/77/1076668977.db2.gz MBQCLKCSLRBDEY-UHFFFAOYSA-N 0 3 322.394 2.209 20 5 DEBDHN CC[NH+](CC)CCSc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001590689028 1076668978 /nfs/dbraw/zinc/66/89/78/1076668978.db2.gz MBQCLKCSLRBDEY-UHFFFAOYSA-N 0 3 322.394 2.209 20 5 DEBDHN C[C@H]1CC(C)(C)C[N@@H+]1Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609153891 1077774756 /nfs/dbraw/zinc/77/47/56/1077774756.db2.gz FHYZUVBJEOTVKI-JTQLQIEISA-N 0 3 316.365 2.395 20 5 DEBDHN C[C@H]1CC(C)(C)C[N@H+]1Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609153891 1077774759 /nfs/dbraw/zinc/77/47/59/1077774759.db2.gz FHYZUVBJEOTVKI-JTQLQIEISA-N 0 3 316.365 2.395 20 5 DEBDHN C[C@H]1CC(C)(C)C[N@@H+]1Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609153891 1077774763 /nfs/dbraw/zinc/77/47/63/1077774763.db2.gz FHYZUVBJEOTVKI-JTQLQIEISA-N 0 3 316.365 2.395 20 5 DEBDHN C[C@H]1CC(C)(C)C[N@H+]1Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609153891 1077774767 /nfs/dbraw/zinc/77/47/67/1077774767.db2.gz FHYZUVBJEOTVKI-JTQLQIEISA-N 0 3 316.365 2.395 20 5 DEBDHN CC(C)(NCc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC001655380812 1079995882 /nfs/dbraw/zinc/99/58/82/1079995882.db2.gz FJVHGMUGHHUHCN-AWEZNQCLSA-N 0 3 321.377 2.131 20 5 DEBDHN Cc1nn(C(C)(C)C)c(C)c1CNCCn1cc([N+](=O)[O-])cn1 ZINC001657475649 1080176342 /nfs/dbraw/zinc/17/63/42/1080176342.db2.gz RWWDBRMBNPUDKN-UHFFFAOYSA-N 0 3 320.397 2.149 20 5 DEBDHN COc1c(O)ccc(CN[C@H](CO)CC2CCCC2)c1[N+](=O)[O-] ZINC001657905370 1080189760 /nfs/dbraw/zinc/18/97/60/1080189760.db2.gz MFVYSNRMUWURTI-ZDUSSCGKSA-N 0 3 324.377 2.340 20 5 DEBDHN O=C(C=C1CCC1)NC/C=C\CNCc1ccc([N+](=O)[O-])cc1 ZINC001268527407 1080720636 /nfs/dbraw/zinc/72/06/36/1080720636.db2.gz GKBSOTCHHZTFGS-UPHRSURJSA-N 0 3 315.373 2.467 20 5 DEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC(n2cnnc2)CC1 ZINC001254558328 1143247796 /nfs/dbraw/zinc/24/77/96/1143247796.db2.gz FPMQKWJUJYFGBT-CYBMUJFWSA-N 0 3 315.377 2.454 20 5 DEBDHN CCOc1cc(CN[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)ncn1 ZINC001254586906 1143266422 /nfs/dbraw/zinc/26/64/22/1143266422.db2.gz MSNVRIPIVHRRSC-CYBMUJFWSA-N 0 3 314.345 2.041 20 5 DEBDHN CCCCN1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254600710 1143273796 /nfs/dbraw/zinc/27/37/96/1143273796.db2.gz QVBBDYXGONFXSV-KRWDZBQOSA-N 0 3 303.406 2.480 20 5 DEBDHN CN1C[C@@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C(C)(C)C1 ZINC001303986461 1147340124 /nfs/dbraw/zinc/34/01/24/1147340124.db2.gz UFQBMTFNJYOAMW-CYBMUJFWSA-N 0 3 316.361 2.146 20 5 DEBDHN COc1c(O)ccc(CN[C@@H](CO)CCC(C)C)c1[N+](=O)[O-] ZINC001308864413 1147488326 /nfs/dbraw/zinc/48/83/26/1147488326.db2.gz NBTJCJKIUWDRBD-GFCCVEGCSA-N 0 3 312.366 2.196 20 5 DEBDHN N[C@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC001326614686 1148165820 /nfs/dbraw/zinc/16/58/20/1148165820.db2.gz QQMIHODTPCPSMT-HNNXBMFYSA-N 0 3 305.378 2.161 20 5 DEBDHN CCOc1ccc([C@H](C)NC[C@@]2(O)CCO[C@H]2C)cc1[N+](=O)[O-] ZINC000278698483 214336556 /nfs/dbraw/zinc/33/65/56/214336556.db2.gz HHMXXUMCYWEIJI-MKBNYLNASA-N 0 3 324.377 2.184 20 5 DEBDHN CN1CC[C@H](CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413113775 529804881 /nfs/dbraw/zinc/80/48/81/529804881.db2.gz CTGSUFYBPJAUEU-MRVPVSSYSA-N 0 3 304.272 2.372 20 5 DEBDHN CS[C@@H]1CN(c2cccnc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000614822122 362470108 /nfs/dbraw/zinc/47/01/08/362470108.db2.gz QOJSRAFSAJKERX-CHWSQXEVSA-N 0 3 308.407 2.006 20 5 DEBDHN C[C@@H](NC(=O)NCc1ccccc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000272707683 210110700 /nfs/dbraw/zinc/11/07/00/210110700.db2.gz GWDGXCDEDDLXEC-GFCCVEGCSA-N 0 3 318.377 2.044 20 5 DEBDHN CCO[C@@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2)[C@@]12CCCO2 ZINC000272635422 210038517 /nfs/dbraw/zinc/03/85/17/210038517.db2.gz BRPWLQQHYQNVAY-OAGGEKHMSA-N 0 3 306.362 2.411 20 5 DEBDHN CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)C[C@H]1N(C)C ZINC000270542164 282711856 /nfs/dbraw/zinc/71/18/56/282711856.db2.gz XVAWLGRCWRMECW-KGLIPLIRSA-N 0 3 323.418 2.021 20 5 DEBDHN CSc1ccc(C(=O)N2CCN[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000262861459 186315268 /nfs/dbraw/zinc/31/52/68/186315268.db2.gz UERQDTKAGJIYDM-ZJUUUORDSA-N 0 3 309.391 2.139 20 5 DEBDHN C[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C)C1 ZINC000173097458 198184996 /nfs/dbraw/zinc/18/49/96/198184996.db2.gz JAJCIGWDAACMIR-KGLIPLIRSA-N 0 3 319.405 2.374 20 5 DEBDHN CCN1CCCC[C@@H]1CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173666008 198237861 /nfs/dbraw/zinc/23/78/61/198237861.db2.gz IAEKSJNVUWGNAB-OAHLLOKOSA-N 0 3 305.378 2.128 20 5 DEBDHN CCN1CCC(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000063681273 354652035 /nfs/dbraw/zinc/65/20/35/354652035.db2.gz CJOOGEAHHBZQMM-UHFFFAOYSA-N 0 3 316.361 2.290 20 5 DEBDHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000067204805 354752771 /nfs/dbraw/zinc/75/27/71/354752771.db2.gz GRTJDNZFVDTKQA-GFCCVEGCSA-N 0 3 315.329 2.321 20 5 DEBDHN C[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000067273299 354755267 /nfs/dbraw/zinc/75/52/67/354755267.db2.gz RTKNSPWFWHBCQI-AWEZNQCLSA-N 0 3 319.405 2.374 20 5 DEBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](CN2CCOCC2)C1 ZINC000072688487 354913150 /nfs/dbraw/zinc/91/31/50/354913150.db2.gz SWDCMFBCHNMHIC-LSDHHAIUSA-N 0 3 319.405 2.310 20 5 DEBDHN CCN1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000075604437 355096257 /nfs/dbraw/zinc/09/62/57/355096257.db2.gz AVYVJDBWUUSADF-UHFFFAOYSA-N 0 3 305.378 2.460 20 5 DEBDHN CCN1CCN(CCCNc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000075676980 355100529 /nfs/dbraw/zinc/10/05/29/355100529.db2.gz MUXFUOILZRGQJZ-UHFFFAOYSA-N 0 3 310.373 2.173 20 5 DEBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000246524097 283095043 /nfs/dbraw/zinc/09/50/43/283095043.db2.gz RLXTZUDGQHLQAV-GXTWGEPZSA-N 0 3 303.362 2.151 20 5 DEBDHN Cc1c([C@H](C)N[C@H](C)[C@@H]2CN(C)CCO2)cccc1[N+](=O)[O-] ZINC000090573711 355564136 /nfs/dbraw/zinc/56/41/36/355564136.db2.gz IHSCOTQHUKTSSS-ZENOOKHLSA-N 0 3 307.394 2.273 20 5 DEBDHN C[C@@H](NC[C@H](O)COCc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000180452047 356051036 /nfs/dbraw/zinc/05/10/36/356051036.db2.gz ADOXWUJDXCLJMY-DOMZBBRYSA-N 0 3 320.345 2.416 20 5 DEBDHN COCCO[C@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000179366115 356023471 /nfs/dbraw/zinc/02/34/71/356023471.db2.gz ONSWNMDVOWULLZ-INIZCTEOSA-N 0 3 308.378 2.265 20 5 DEBDHN CC[C@H](C)[C@@H](C)NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000183014167 356156030 /nfs/dbraw/zinc/15/60/30/356156030.db2.gz MJNKGYTZDADLHM-VHSXEESVSA-N 0 3 323.349 2.286 20 5 DEBDHN C[C@@H](C(=O)N(C)[C@@H]1CCCN(C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000184232065 356188656 /nfs/dbraw/zinc/18/86/56/356188656.db2.gz HBTVIMWUYOBBSK-DGCLKSJQSA-N 0 3 323.368 2.390 20 5 DEBDHN COc1ccc(OCCN2CCC[C@H](CO)CC2)c([N+](=O)[O-])c1 ZINC000293280314 356388645 /nfs/dbraw/zinc/38/86/45/356388645.db2.gz VJGKVZSCWQGUBH-ZDUSSCGKSA-N 0 3 324.377 2.077 20 5 DEBDHN Cc1ccn(CCN(C)Cc2ccccc2)c(=O)c1[N+](=O)[O-] ZINC000430169836 283238291 /nfs/dbraw/zinc/23/82/91/283238291.db2.gz UESYBYCKKVUPQK-UHFFFAOYSA-N 0 3 301.346 2.197 20 5 DEBDHN C[S@](=O)C1(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])CCC1 ZINC000584790881 357310999 /nfs/dbraw/zinc/31/09/99/357310999.db2.gz WPISXEPYXPTHOR-ASSNKEHSSA-N 0 3 308.403 2.473 20 5 DEBDHN O=[N+]([O-])c1ccc(CN[C@H]([C@@H]2CCCO2)C2(CO)CCC2)cc1 ZINC000589521061 357476656 /nfs/dbraw/zinc/47/66/56/357476656.db2.gz AUXFUZBGIQKBPB-JKSUJKDBSA-N 0 3 320.389 2.395 20 5 DEBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CCN(C2CC2)C[C@@H](C)C1 ZINC000590703980 357587626 /nfs/dbraw/zinc/58/76/26/357587626.db2.gz ZORWRRUQJDFOCJ-LLVKDONJSA-N 0 3 307.398 2.040 20 5 DEBDHN O=[N+]([O-])c1cccc(N2CCN(CCC3(O)CCC3)CC2)c1 ZINC000591010962 357660052 /nfs/dbraw/zinc/66/00/52/357660052.db2.gz JKLIBDHABOTBGK-UHFFFAOYSA-N 0 3 305.378 2.022 20 5 DEBDHN C[C@H]1COCCCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000591020010 357661843 /nfs/dbraw/zinc/66/18/43/357661843.db2.gz YBYQHBGXNSROSB-LBPRGKRZSA-N 0 3 307.350 2.034 20 5 DEBDHN O=C1NCCC[C@@H]1CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000591245191 357694021 /nfs/dbraw/zinc/69/40/21/357694021.db2.gz QREAYGHGUBKHJM-DOMZBBRYSA-N 0 3 303.362 2.088 20 5 DEBDHN CN(C[C@H]1CCCN1C)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000591464240 357727229 /nfs/dbraw/zinc/72/72/29/357727229.db2.gz XSAPCPDABHCYKD-GFCCVEGCSA-N 0 3 301.350 2.068 20 5 DEBDHN CC1(C)CN[C@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000591669292 357749958 /nfs/dbraw/zinc/74/99/58/357749958.db2.gz OGTHJYHRNYNUOB-AWEZNQCLSA-N 0 3 305.378 2.032 20 5 DEBDHN CCCN(C(=O)NCc1cccc([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000591934372 357801004 /nfs/dbraw/zinc/80/10/04/357801004.db2.gz XCVUTYNKBODWEX-HNNXBMFYSA-N 0 3 320.393 2.221 20 5 DEBDHN CCCN(C(=O)CCc1cccc([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000592829752 357953444 /nfs/dbraw/zinc/95/34/44/357953444.db2.gz XVWLRWONRWVXCK-INIZCTEOSA-N 0 3 319.405 2.470 20 5 DEBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCC1(N2CCOCC2)CC1 ZINC000594502196 358285330 /nfs/dbraw/zinc/28/53/30/358285330.db2.gz ZNPCXDANNKUVNZ-OAHLLOKOSA-N 0 3 317.389 2.037 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC1CCN(C(C)=O)CC1 ZINC000595004652 358376843 /nfs/dbraw/zinc/37/68/43/358376843.db2.gz QQXRUESTTKAXFP-NSHDSACASA-N 0 3 321.377 2.265 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H](CCO)CSC ZINC000595024974 358380528 /nfs/dbraw/zinc/38/05/28/358380528.db2.gz IIDNEVVUPNVIOE-GHMZBOCLSA-N 0 3 314.407 2.368 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCc1cncn1C ZINC000595034117 358381322 /nfs/dbraw/zinc/38/13/22/358381322.db2.gz UXPLCJOKAMUXAP-LLVKDONJSA-N 0 3 304.350 2.230 20 5 DEBDHN CNC(=O)[C@@H]1CCC[C@@H]1N[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595036379 358381526 /nfs/dbraw/zinc/38/15/26/358381526.db2.gz RVIIVUFDOXNBFJ-GDLCADMTSA-N 0 3 321.377 2.169 20 5 DEBDHN CCN1C[C@H](CN[C@@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1=O ZINC000595044569 358383175 /nfs/dbraw/zinc/38/31/75/358383175.db2.gz CDOQNTQAVORRSH-RYUDHWBXSA-N 0 3 321.377 2.122 20 5 DEBDHN CC[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000595764798 358543608 /nfs/dbraw/zinc/54/36/08/358543608.db2.gz DBRKUCJCRWCIIS-GFCCVEGCSA-N 0 3 307.350 2.320 20 5 DEBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@@H]2C[C@@H]2C1 ZINC000595812752 358555012 /nfs/dbraw/zinc/55/50/12/358555012.db2.gz YQYQSQBQLFGYDR-VXGBXAGGSA-N 0 3 317.345 2.235 20 5 DEBDHN Cc1c(CN2CC[C@@H](CN3CCCC3=O)C2)cccc1[N+](=O)[O-] ZINC000595831570 358558409 /nfs/dbraw/zinc/55/84/09/358558409.db2.gz KAILBORQIZMESG-CQSZACIVSA-N 0 3 317.389 2.348 20 5 DEBDHN CCN1CCN([C@H](C)CNc2cc(C)sc2[N+](=O)[O-])CC1 ZINC000596079119 358605257 /nfs/dbraw/zinc/60/52/57/358605257.db2.gz ZMAZNNXVAHCNJR-LLVKDONJSA-N 0 3 312.439 2.403 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(C(C)(C)C)C2)c1 ZINC000597926109 359044678 /nfs/dbraw/zinc/04/46/78/359044678.db2.gz VOAJMWQWCZMCHO-NSHDSACASA-N 0 3 321.377 2.206 20 5 DEBDHN CCCN1CC[C@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000598343859 359170519 /nfs/dbraw/zinc/17/05/19/359170519.db2.gz WWSRQEKEOBCLKI-ZDUSSCGKSA-N 0 3 319.405 2.473 20 5 DEBDHN CC(C)(C)Oc1cc(NCCN2CC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000599199392 359430986 /nfs/dbraw/zinc/43/09/86/359430986.db2.gz JIVPUSDYXJSZSR-ZDUSSCGKSA-N 0 3 323.393 2.251 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCCN1CC[C@@H](O)C1)CCCC2 ZINC000599085101 359399052 /nfs/dbraw/zinc/39/90/52/359399052.db2.gz MHKCOFQXFLEFHQ-NVXWUHKLSA-N 0 3 319.405 2.019 20 5 DEBDHN Cc1c(CN2CCC(N3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000599474895 359506197 /nfs/dbraw/zinc/50/61/97/359506197.db2.gz XAJFKTFDLDCFEI-UHFFFAOYSA-N 0 3 319.405 2.200 20 5 DEBDHN CN(CCN(C)C1CC1)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000186908559 200029267 /nfs/dbraw/zinc/02/92/67/200029267.db2.gz CCQWFBOSLRYXEJ-UHFFFAOYSA-N 0 3 311.769 2.414 20 5 DEBDHN CC[C@@]1(CO)CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000187598666 200133164 /nfs/dbraw/zinc/13/31/64/200133164.db2.gz MIMFLKRUYLBSGK-MRXNPFEDSA-N 0 3 308.378 2.458 20 5 DEBDHN CN1CCC(N2CC[C@@H](Nc3ccsc3[N+](=O)[O-])C2)CC1 ZINC000601116519 359927197 /nfs/dbraw/zinc/92/71/97/359927197.db2.gz MLHDWZDUDUQVAH-LLVKDONJSA-N 0 3 310.423 2.237 20 5 DEBDHN CC[C@H](NCCc1ccc([N+](=O)[O-])cc1)[C@@H](O)C(F)(F)F ZINC000602582846 360443837 /nfs/dbraw/zinc/44/38/37/360443837.db2.gz YBRJUDFITNIVOB-NWDGAFQWSA-N 0 3 306.284 2.429 20 5 DEBDHN O=[N+]([O-])c1ccn(CCN2CCC3(CCSCC3)CC2)n1 ZINC000602946514 360638710 /nfs/dbraw/zinc/63/87/10/360638710.db2.gz LSEXRQVVLDSPQC-UHFFFAOYSA-N 0 3 310.423 2.401 20 5 DEBDHN O=[N+]([O-])c1cccc(Cn2cc(CCN3CCCCC3)nn2)c1 ZINC000603160189 360728448 /nfs/dbraw/zinc/72/84/48/360728448.db2.gz FUBURGJZEJXJTE-UHFFFAOYSA-N 0 3 315.377 2.263 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)n1cc(CCN(C)C)nn1 ZINC000603253021 360767112 /nfs/dbraw/zinc/76/71/12/360767112.db2.gz ZKRDBECYMLASSP-LBPRGKRZSA-N 0 3 303.366 2.208 20 5 DEBDHN CC[C@@H](CN1CCCC1)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000610240478 361371903 /nfs/dbraw/zinc/37/19/03/361371903.db2.gz DZKBQCSRGHVUFR-AWEZNQCLSA-N 0 3 305.378 2.128 20 5 DEBDHN CC(C)CN1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000193622129 201089687 /nfs/dbraw/zinc/08/96/87/201089687.db2.gz NTEXFKKGGYEUIO-UHFFFAOYSA-N 0 3 322.365 2.277 20 5 DEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000610368653 361390297 /nfs/dbraw/zinc/39/02/97/361390297.db2.gz RQYORQGBPKOZSB-KBRIMQKVSA-N 0 3 319.405 2.187 20 5 DEBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])s2)CC[C@H]1N1CCN(C)CC1 ZINC000611204562 361548045 /nfs/dbraw/zinc/54/80/45/361548045.db2.gz VZRZBOSLSWBSAX-CHWSQXEVSA-N 0 3 324.450 2.119 20 5 DEBDHN CO[C@H]1CCC[C@H]1CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611377034 361588375 /nfs/dbraw/zinc/58/83/75/361588375.db2.gz QXAQIMOFZRTKMX-FZMZJTMJSA-N 0 3 322.361 2.271 20 5 DEBDHN C[C@@H]1COCCN1CCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447536207 239001937 /nfs/dbraw/zinc/00/19/37/239001937.db2.gz LRBCRWWMPNKRCB-CXAGYDPISA-N 0 3 319.405 2.283 20 5 DEBDHN O=[N+]([O-])c1ccc2ncnc(N3CCN(CC4CC4)CC3)c2c1 ZINC000611702742 361661154 /nfs/dbraw/zinc/66/11/54/361661154.db2.gz YAEKILDUTWJFDR-UHFFFAOYSA-N 0 3 313.361 2.070 20 5 DEBDHN CC[C@H](C)NC(=O)[C@H](C)N[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449217599 240212757 /nfs/dbraw/zinc/21/27/57/240212757.db2.gz AICQLLACOIIKAO-XQQFMLRXSA-N 0 3 307.394 2.419 20 5 DEBDHN CCO[C@@H]1CCC[C@H]1N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000452023517 243748732 /nfs/dbraw/zinc/74/87/32/243748732.db2.gz YAXSENUEJTYTPX-NJZAAPMLSA-N 0 3 321.377 2.469 20 5 DEBDHN CCN1CCCC[C@H]1CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000264666351 204065919 /nfs/dbraw/zinc/06/59/19/204065919.db2.gz ILKJNNJZIRBBLY-ZDUSSCGKSA-N 0 3 321.377 2.208 20 5 DEBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@@H](CCO)c2ccccc2)c1 ZINC000271707034 209142996 /nfs/dbraw/zinc/14/29/96/209142996.db2.gz UNQAUPXBWKPBOS-IRXDYDNUSA-N 0 3 316.357 2.342 20 5 DEBDHN CS[C@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1N(C)C ZINC000282992863 217374922 /nfs/dbraw/zinc/37/49/22/217374922.db2.gz FDCDOFHGRAQPKJ-KGLIPLIRSA-N 0 3 313.398 2.211 20 5 DEBDHN COc1c(C(=O)N2CCCC[C@H]2CN(C)C)cccc1[N+](=O)[O-] ZINC000530281550 284394914 /nfs/dbraw/zinc/39/49/14/284394914.db2.gz UFJKHAUWFRWGTF-LBPRGKRZSA-N 0 3 321.377 2.160 20 5 DEBDHN CCc1ccc(C(=O)NC[C@@H](C)N2CCCC2)cc1[N+](=O)[O-] ZINC000530834158 284472476 /nfs/dbraw/zinc/47/24/76/284472476.db2.gz CGRBVFHKRTWFAM-GFCCVEGCSA-N 0 3 305.378 2.371 20 5 DEBDHN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@H]1CN1CCCC1 ZINC000170684567 296226852 /nfs/dbraw/zinc/22/68/52/296226852.db2.gz HANPJHQGJIYUIK-ZDUSSCGKSA-N 0 3 321.352 2.434 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459768885 248673522 /nfs/dbraw/zinc/67/35/22/248673522.db2.gz GAGQRTKGWSZUEF-KGYLQXTDSA-N 0 3 319.361 2.320 20 5 DEBDHN CN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC000042541143 183283101 /nfs/dbraw/zinc/28/31/01/183283101.db2.gz HZHUBGLNIJEBGT-UHFFFAOYSA-N 0 3 303.362 2.358 20 5 DEBDHN Cc1cc(C(=O)N[C@H](C)CN2CCCCC2)c(N)c([N+](=O)[O-])c1 ZINC000104845688 194046579 /nfs/dbraw/zinc/04/65/79/194046579.db2.gz WDOYWOTZUDRONT-GFCCVEGCSA-N 0 3 320.393 2.090 20 5 DEBDHN CCN1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000110995089 194378817 /nfs/dbraw/zinc/37/88/17/194378817.db2.gz CKAIARQQNXYCPC-GFCCVEGCSA-N 0 3 309.341 2.338 20 5 DEBDHN CN1CCC[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000063527588 184284922 /nfs/dbraw/zinc/28/49/22/184284922.db2.gz HYQFQPPUCKLHRY-MRXNPFEDSA-N 0 3 303.362 2.153 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H](O)C1CCOCC1 ZINC000540189053 285112151 /nfs/dbraw/zinc/11/21/51/285112151.db2.gz IZLVOAKILFOSCP-BLLLJJGKSA-N 0 3 308.378 2.341 20 5 DEBDHN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)C1=CCN(C)CC1 ZINC000272932103 210317961 /nfs/dbraw/zinc/31/79/61/210317961.db2.gz LENNFUDFABWXMS-JTQLQIEISA-N 0 3 307.325 2.114 20 5 DEBDHN O=[N+]([O-])c1ccc(CCN2CCC(Cn3ccnn3)CC2)cc1 ZINC000156096815 197085692 /nfs/dbraw/zinc/08/56/92/197085692.db2.gz JUSKBCVLCQBFCF-UHFFFAOYSA-N 0 3 315.377 2.141 20 5 DEBDHN CN(C)CCN(Cc1ccccc1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000294794347 224226216 /nfs/dbraw/zinc/22/62/16/224226216.db2.gz SXNABKLZMHNZRJ-UHFFFAOYSA-N 0 3 321.421 2.412 20 5 DEBDHN Cc1cc(Cl)c(C(=O)NCCN(C)C2CC2)cc1[N+](=O)[O-] ZINC000294929775 224318258 /nfs/dbraw/zinc/31/82/58/224318258.db2.gz UMCDZYXPWCRKPZ-UHFFFAOYSA-N 0 3 311.769 2.381 20 5 DEBDHN COC(=O)C1CCN(CCCNc2ccccc2[N+](=O)[O-])CC1 ZINC000298710864 533294120 /nfs/dbraw/zinc/29/41/20/533294120.db2.gz KPPYQJBHMPDHJV-UHFFFAOYSA-N 0 3 321.377 2.282 20 5 DEBDHN C[C@@H](NC1CC1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000295801496 533331866 /nfs/dbraw/zinc/33/18/66/533331866.db2.gz SRMKLZQJLHIQBZ-LLVKDONJSA-N 0 3 303.362 2.226 20 5 DEBDHN C[C@@H](N[C@@H]1CCCN(CCCO)C1)c1cccc([N+](=O)[O-])c1 ZINC000297440036 533519544 /nfs/dbraw/zinc/51/95/44/533519544.db2.gz WBZRNBGGTRUSSB-UKRRQHHQSA-N 0 3 307.394 2.092 20 5 DEBDHN CCN1CCCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000355979263 133058707 /nfs/dbraw/zinc/05/87/07/133058707.db2.gz CRVZYOICFNVPEN-LBPRGKRZSA-N 0 3 321.377 2.208 20 5 DEBDHN Cc1cc(N2CC[C@H](OCCN(C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000360070113 133160107 /nfs/dbraw/zinc/16/01/07/133160107.db2.gz GYHVMLARCNUIBP-LBPRGKRZSA-N 0 3 311.357 2.199 20 5 DEBDHN CSc1cccc(C(=O)NCC2=CCN(C)CC2)c1[N+](=O)[O-] ZINC000362419802 133229210 /nfs/dbraw/zinc/22/92/10/133229210.db2.gz PMDWHNRCXBYIEP-UHFFFAOYSA-N 0 3 321.402 2.308 20 5 DEBDHN CNc1ccc(C(=O)N(C)[C@@H]2CCN(C(C)C)C2)cc1[N+](=O)[O-] ZINC000562970491 292020658 /nfs/dbraw/zinc/02/06/58/292020658.db2.gz GSZOYJAONCPLQJ-CYBMUJFWSA-N 0 3 320.393 2.191 20 5 DEBDHN CC(C)CCOCCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373232957 133383055 /nfs/dbraw/zinc/38/30/55/133383055.db2.gz VBYSQGVCGQYZNZ-UHFFFAOYSA-N 0 3 310.398 2.491 20 5 DEBDHN O=[N+]([O-])c1cccc(OCCN2CC[C@H]3OCCC[C@H]3C2)c1 ZINC000247009558 145122891 /nfs/dbraw/zinc/12/28/91/145122891.db2.gz ZBTMJZCZTYGDKI-XJKSGUPXSA-N 0 3 306.362 2.475 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](C)[C@@H]1CCCOC1 ZINC000348143198 146222946 /nfs/dbraw/zinc/22/29/46/146222946.db2.gz HUTULJKAJPTOFT-CHWSQXEVSA-N 0 3 321.377 2.246 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](C)[C@@H]1CCCOC1 ZINC000348148599 146224583 /nfs/dbraw/zinc/22/45/83/146224583.db2.gz SRFYJSQSCWBVCK-QWHCGFSZSA-N 0 3 321.377 2.246 20 5 DEBDHN C[C@@H](NCCCOc1ccc([N+](=O)[O-])cc1)c1cnn(C)c1 ZINC000348323620 146255042 /nfs/dbraw/zinc/25/50/42/146255042.db2.gz XUZZGHGYVSBZPT-GFCCVEGCSA-N 0 3 304.350 2.448 20 5 DEBDHN Cc1csc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000565358683 292156684 /nfs/dbraw/zinc/15/66/84/292156684.db2.gz HXZGUZPUHNWOFX-LBPRGKRZSA-N 0 3 322.386 2.494 20 5 DEBDHN COc1c(C(=O)N(C)CC2(N(C)C)CCC2)cccc1[N+](=O)[O-] ZINC000356974064 147013372 /nfs/dbraw/zinc/01/33/72/147013372.db2.gz OQPSCHFHOGIYTB-UHFFFAOYSA-N 0 3 321.377 2.160 20 5 DEBDHN C[C@H]1CC[C@H](C)N1CC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000359127575 147267198 /nfs/dbraw/zinc/26/71/98/147267198.db2.gz FAZHMMIBMBFPEZ-KBPBESRZSA-N 0 3 319.405 2.469 20 5 DEBDHN Cc1c(CNC(=O)N(CCN(C)C)C(C)C)cccc1[N+](=O)[O-] ZINC000359538613 147346591 /nfs/dbraw/zinc/34/65/91/147346591.db2.gz CCRATUTXQYMTGJ-UHFFFAOYSA-N 0 3 322.409 2.385 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000374402596 148242355 /nfs/dbraw/zinc/24/23/55/148242355.db2.gz TVBYJRONHJVYJV-CHWSQXEVSA-N 0 3 306.362 2.462 20 5 DEBDHN Cc1ccc([C@H](C)NC[C@@H](O)COCC2CC2)cc1[N+](=O)[O-] ZINC000129885577 401810056 /nfs/dbraw/zinc/81/00/56/401810056.db2.gz FMXJYNFRNRQCAU-SWLSCSKDSA-N 0 3 308.378 2.341 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000115436904 401827438 /nfs/dbraw/zinc/82/74/38/401827438.db2.gz RONSUYURJSYFTR-CYBMUJFWSA-N 0 3 305.378 2.317 20 5 DEBDHN Cc1cc(C(=O)N(C)C[C@@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000115437712 401827906 /nfs/dbraw/zinc/82/79/06/401827906.db2.gz MPEPDAZHNFTLKB-CYBMUJFWSA-N 0 3 305.378 2.317 20 5 DEBDHN O=[N+]([O-])c1ccc(CCN2CCN(c3ccncc3)CC2)cc1 ZINC000026728924 401841750 /nfs/dbraw/zinc/84/17/50/401841750.db2.gz UYMDZVZLXZFRAX-UHFFFAOYSA-N 0 3 312.373 2.355 20 5 DEBDHN CN(C)[C@@H]1CCCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000136867322 401975153 /nfs/dbraw/zinc/97/51/53/401975153.db2.gz OTIXBZBCNTWDBA-SNVBAGLBSA-N 0 3 311.769 2.414 20 5 DEBDHN COc1cc(CNC[C@]2(C)CCCO2)c([N+](=O)[O-])cc1OC ZINC000152921343 402116856 /nfs/dbraw/zinc/11/68/56/402116856.db2.gz WKQLUCAFBILFLW-HNNXBMFYSA-N 0 3 310.350 2.271 20 5 DEBDHN CN(C)[C@@H]1CCCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000067044655 402151206 /nfs/dbraw/zinc/15/12/06/402151206.db2.gz XADQMOVUWIEFIN-IZPAUZPXSA-N 0 3 321.352 2.300 20 5 DEBDHN O=[N+]([O-])c1ccc(-c2ccc(CN(CCO)CCCO)o2)cc1 ZINC000124429619 402179905 /nfs/dbraw/zinc/17/99/05/402179905.db2.gz WAYVOUBBVGUSLQ-UHFFFAOYSA-N 0 3 320.345 2.032 20 5 DEBDHN C[C@H]1CCCN(CCNC(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000068937133 402209673 /nfs/dbraw/zinc/20/96/73/402209673.db2.gz AZLFYEABAVHYRH-NSHDSACASA-N 0 3 309.341 2.196 20 5 DEBDHN CN(C)CCN(C)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000176391299 402305447 /nfs/dbraw/zinc/30/54/47/402305447.db2.gz KNOKOSDKKDMQCS-UHFFFAOYSA-N 0 3 322.409 2.121 20 5 DEBDHN Cc1nc2n(n1)C[C@@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1C)CC2 ZINC000160438243 402345455 /nfs/dbraw/zinc/34/54/55/402345455.db2.gz WDTVBIGSKGKCRV-AAEUAGOBSA-N 0 3 315.377 2.469 20 5 DEBDHN COc1cc(C[NH2+][C@@H]2CCOC(C)(C)C2)c([N+](=O)[O-])cc1[O-] ZINC000160558776 402351074 /nfs/dbraw/zinc/35/10/74/402351074.db2.gz BRTMISDMSRDWJO-LLVKDONJSA-N 0 3 310.350 2.356 20 5 DEBDHN Cc1cc(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)cc([N+](=O)[O-])c1 ZINC000177189409 402379688 /nfs/dbraw/zinc/37/96/88/402379688.db2.gz NPQHNFSYYZVHBX-WCQYABFASA-N 0 3 303.362 2.258 20 5 DEBDHN CCN1CCN([C@@H](C)CNc2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000185179788 402331300 /nfs/dbraw/zinc/33/13/00/402331300.db2.gz FNNHLFJYAHIPHI-ZDUSSCGKSA-N 0 3 322.409 2.041 20 5 DEBDHN CC(C)c1ccc(CNCCN2CCCC2=O)cc1[N+](=O)[O-] ZINC000566352658 292232047 /nfs/dbraw/zinc/23/20/47/292232047.db2.gz WOOANKFEWRGMPL-UHFFFAOYSA-N 0 3 305.378 2.430 20 5 DEBDHN CC(C)[C@@H](CO)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000162200109 402412845 /nfs/dbraw/zinc/41/28/45/402412845.db2.gz XPYFSCGYEMHRHB-LLVKDONJSA-N 0 3 317.183 2.464 20 5 DEBDHN C[C@H]1C[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000177662102 402424449 /nfs/dbraw/zinc/42/44/49/402424449.db2.gz SBRQNZQTWRIDNZ-WCQYABFASA-N 0 3 318.377 2.019 20 5 DEBDHN CNC(=O)[C@@H]1CCCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245538399 402469170 /nfs/dbraw/zinc/46/91/70/402469170.db2.gz YZCVXOZWUCIJCU-QWHCGFSZSA-N 0 3 305.378 2.422 20 5 DEBDHN C[C@@H](CN(C)C)Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000168953260 402499186 /nfs/dbraw/zinc/49/91/86/402499186.db2.gz CPVHKHBOIOJQRL-ZETCQYMHSA-N 0 3 303.160 2.114 20 5 DEBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000178519628 402506704 /nfs/dbraw/zinc/50/67/04/402506704.db2.gz PPEHKCNYBZSSBR-PWSUYJOCSA-N 0 3 309.391 2.213 20 5 DEBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000247485923 402568642 /nfs/dbraw/zinc/56/86/42/402568642.db2.gz TXMSERFNHSNLAM-GXFFZTMASA-N 0 3 309.341 2.146 20 5 DEBDHN COc1ccc(CN2CCN3CCCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000248366612 402587464 /nfs/dbraw/zinc/58/74/64/402587464.db2.gz SIYFBHJHSLYVBC-AWEZNQCLSA-N 0 3 305.378 2.274 20 5 DEBDHN C[C@H](C(=O)N1CCN2CCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1F ZINC000248567298 402596389 /nfs/dbraw/zinc/59/63/89/402596389.db2.gz LEJKYQQABRTFQJ-AAEUAGOBSA-N 0 3 321.352 2.144 20 5 DEBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000248753152 402607309 /nfs/dbraw/zinc/60/73/09/402607309.db2.gz HQLJFOPJHIJXTN-VXGBXAGGSA-N 0 3 320.393 2.148 20 5 DEBDHN COc1cc(CNCC2(OC)CCC2)c([N+](=O)[O-])cc1OC ZINC000181085628 402635104 /nfs/dbraw/zinc/63/51/04/402635104.db2.gz RNGXLAQCCRAQML-UHFFFAOYSA-N 0 3 310.350 2.271 20 5 DEBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000255377472 402685832 /nfs/dbraw/zinc/68/58/32/402685832.db2.gz CHLLDXLYBTZEPM-RDIZVCBXSA-N 0 3 317.389 2.407 20 5 DEBDHN CO[C@@H](C)[C@H](C)N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000191703622 402687172 /nfs/dbraw/zinc/68/71/72/402687172.db2.gz GGICAHLYJWRIIC-TUAOUCFPSA-N 0 3 309.366 2.243 20 5 DEBDHN C[C@@H](C(=O)N1CCNC(C)(C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000183019021 402733140 /nfs/dbraw/zinc/73/31/40/402733140.db2.gz HAWJZVIQPAMKSL-SNVBAGLBSA-N 0 3 309.341 2.048 20 5 DEBDHN COc1cccc(C(=O)N(C)C[C@@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000192581621 402738037 /nfs/dbraw/zinc/73/80/37/402738037.db2.gz FMSOPAJACFSYRM-GFCCVEGCSA-N 0 3 321.377 2.017 20 5 DEBDHN CN(c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[C@H]1CCCN(C)C1 ZINC000175047585 402774286 /nfs/dbraw/zinc/77/42/86/402774286.db2.gz GZOKCVLJAMKEKH-LBPRGKRZSA-N 0 3 318.377 2.010 20 5 DEBDHN COCCN1CCC(Nc2ccc([N+](=O)[O-])cc2COC)CC1 ZINC000175045472 402774306 /nfs/dbraw/zinc/77/43/06/402774306.db2.gz RJSKMCXOVOAPPN-UHFFFAOYSA-N 0 3 323.393 2.264 20 5 DEBDHN C[C@H](N[C@H]1CCC[C@H]1CCO)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000279221090 402918369 /nfs/dbraw/zinc/91/83/69/402918369.db2.gz IBRNFNGNIRPJIA-AVGNSLFASA-N 0 3 321.377 2.063 20 5 DEBDHN CN(C)C/C=C/C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000265603042 402932574 /nfs/dbraw/zinc/93/25/74/402932574.db2.gz CSJNUBJTJWBQPC-SNAWJCMRSA-N 0 3 311.769 2.324 20 5 DEBDHN CCC(CC)CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273357325 402997251 /nfs/dbraw/zinc/99/72/51/402997251.db2.gz CCXIKQUWNWJEJV-UHFFFAOYSA-N 0 3 314.407 2.394 20 5 DEBDHN CO[C@@]1(C)CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000280510788 403007877 /nfs/dbraw/zinc/00/78/77/403007877.db2.gz NMYQUYVEZWOKGX-INIZCTEOSA-N 0 3 321.377 2.085 20 5 DEBDHN COCc1cc([N+](=O)[O-])ccc1N1CC[C@@H](N2CC=CC2)C1 ZINC000267107612 403016367 /nfs/dbraw/zinc/01/63/67/403016367.db2.gz XVHPHSBOPOCDOJ-OAHLLOKOSA-N 0 3 303.362 2.192 20 5 DEBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@@H](CO)c2ccc(F)cc2)c1 ZINC000273137149 402975636 /nfs/dbraw/zinc/97/56/36/402975636.db2.gz SUMGNHYJSOAZGW-JKSUJKDBSA-N 0 3 320.320 2.091 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCCN1C ZINC000274278473 403040875 /nfs/dbraw/zinc/04/08/75/403040875.db2.gz ODPYRQVSSUXHDT-GFCCVEGCSA-N 0 3 306.366 2.427 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCCN(C(C)C)C2)c1 ZINC000274440367 403055676 /nfs/dbraw/zinc/05/56/76/403055676.db2.gz HKKFVQOHEHRYOJ-LBPRGKRZSA-N 0 3 321.377 2.206 20 5 DEBDHN CCOC(=O)[C@](C)(O)CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000274555954 403066841 /nfs/dbraw/zinc/06/68/41/403066841.db2.gz AVZNDRNWAURVPW-MRXNPFEDSA-N 0 3 324.377 2.119 20 5 DEBDHN CN(CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCC(CO)CC1 ZINC000268364972 403077020 /nfs/dbraw/zinc/07/70/20/403077020.db2.gz UDILATJJYMGIND-UHFFFAOYSA-N 0 3 321.377 2.016 20 5 DEBDHN CC[C@H]1CN(c2cccc(C)c2[N+](=O)[O-])CCN1C[C@@H](C)O ZINC000275473150 403103436 /nfs/dbraw/zinc/10/34/36/403103436.db2.gz OMAKKQYYVVYSRN-KGLIPLIRSA-N 0 3 307.394 2.185 20 5 DEBDHN Cc1ccc([C@H](O)CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)o1 ZINC000283860353 403228727 /nfs/dbraw/zinc/22/87/27/403228727.db2.gz BNSZVDWIRUOXNA-IINYFYTJSA-N 0 3 305.334 2.463 20 5 DEBDHN C[C@@H](NC[C@@H]1CCCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000284204007 403253657 /nfs/dbraw/zinc/25/36/57/403253657.db2.gz SQNXAKOUAJKHHR-NEPJUHHUSA-N 0 3 312.391 2.070 20 5 DEBDHN C[C@H]1[C@@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CCCN1C ZINC000345332620 403289687 /nfs/dbraw/zinc/28/96/87/403289687.db2.gz YUJJKZHSXSTCTM-HZMBPMFUSA-N 0 3 316.361 2.289 20 5 DEBDHN CN1CCC[C@]2(CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)C1 ZINC000292642190 403372820 /nfs/dbraw/zinc/37/28/20/403372820.db2.gz BAGUYAFVRWUBLK-HNNXBMFYSA-N 0 3 320.349 2.425 20 5 DEBDHN C[C@H](CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)N(C)C ZINC000298394480 403373751 /nfs/dbraw/zinc/37/37/51/403373751.db2.gz KYSQNVFXCQQAFQ-MRVPVSSYSA-N 0 3 300.746 2.320 20 5 DEBDHN Cc1cc(N(C)CCCN2CCN(C)CC2)c(F)cc1[N+](=O)[O-] ZINC000292512347 403367112 /nfs/dbraw/zinc/36/71/12/403367112.db2.gz GMAOGNOLZGHDLT-UHFFFAOYSA-N 0 3 324.400 2.116 20 5 DEBDHN C[C@@H]1C[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCN1C ZINC000332221365 403519699 /nfs/dbraw/zinc/51/96/99/403519699.db2.gz ARMUQRUKISKHGW-GHMZBOCLSA-N 0 3 316.361 2.289 20 5 DEBDHN CCc1ccc(C(=O)N[C@@H]2CCCN(C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000343420283 403581691 /nfs/dbraw/zinc/58/16/91/403581691.db2.gz AHKNOCMZAQQETK-BXUZGUMPSA-N 0 3 305.378 2.370 20 5 DEBDHN C[C@@H](Nc1c([N+](=O)[O-])ncn1C)[C@@H](c1ccccc1)N(C)C ZINC000287838072 403676376 /nfs/dbraw/zinc/67/63/76/403676376.db2.gz RGIJONNCRRYKHH-YPMHNXCESA-N 0 3 303.366 2.432 20 5 DEBDHN CCc1nn(C)c(NC[C@@H](C)N2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000301940540 403704281 /nfs/dbraw/zinc/70/42/81/403704281.db2.gz UOKPXAHTOLUSIM-VXGBXAGGSA-N 0 3 309.414 2.423 20 5 DEBDHN Cc1ccc(C(=O)N2CC[C@@]3(C2)CCCN(C)C3)cc1[N+](=O)[O-] ZINC000294332400 403705368 /nfs/dbraw/zinc/70/53/68/403705368.db2.gz XNXSKEURDFFFNH-KRWDZBQOSA-N 0 3 317.389 2.461 20 5 DEBDHN C[C@H](N[C@H]1CCC(=O)N[C@H]1C1CC1)c1ccccc1[N+](=O)[O-] ZINC000340618414 403648651 /nfs/dbraw/zinc/64/86/51/403648651.db2.gz GIMUSQLEZIPMLF-NKFCBESUSA-N 0 3 303.362 2.303 20 5 DEBDHN CCN1CCCC[C@H]1CNc1ncc(C(=O)OC)cc1[N+](=O)[O-] ZINC000302788619 403726518 /nfs/dbraw/zinc/72/65/18/403726518.db2.gz XMAPTAFJPOYADE-LBPRGKRZSA-N 0 3 322.365 2.063 20 5 DEBDHN CCN1CCCC[C@@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000347773162 403861040 /nfs/dbraw/zinc/86/10/40/403861040.db2.gz GOLVZYHSFMMKNX-CYBMUJFWSA-N 0 3 309.341 2.338 20 5 DEBDHN CN(C[C@H](O)COc1cccc(Cl)c1[N+](=O)[O-])C1CC1 ZINC000296153745 404118468 /nfs/dbraw/zinc/11/84/68/404118468.db2.gz MUAKHZNCKOHZIF-JTQLQIEISA-N 0 3 300.742 2.082 20 5 DEBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@H]2COc2ccccc2)n1 ZINC000296177865 404129708 /nfs/dbraw/zinc/12/97/08/404129708.db2.gz IEDYRIDUGROGEW-AWEZNQCLSA-N 0 3 316.361 2.335 20 5 DEBDHN CC(C)(C(=O)N[C@@H]1CCN(C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000352153211 404181085 /nfs/dbraw/zinc/18/10/85/404181085.db2.gz FCAUDBYPFKJTJM-CYBMUJFWSA-N 0 3 317.389 2.225 20 5 DEBDHN CC(C)N1C[C@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1=O ZINC000567406629 292311479 /nfs/dbraw/zinc/31/14/79/292311479.db2.gz NOORNXAGXHGIGB-BXUZGUMPSA-N 0 3 303.362 2.181 20 5 DEBDHN CCCN(CCN(C)C)C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000344872846 404418556 /nfs/dbraw/zinc/41/85/56/404418556.db2.gz NDFMIAUSWMXMGJ-UHFFFAOYSA-N 0 3 309.366 2.017 20 5 DEBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)CC1CCN(C)CC1 ZINC000291552951 404423859 /nfs/dbraw/zinc/42/38/59/404423859.db2.gz BGXDGWYLORPJQR-UHFFFAOYSA-N 0 3 319.405 2.328 20 5 DEBDHN O=[N+]([O-])c1cccc(OCCN2CC[C@@H](n3cccn3)C2)c1 ZINC000291827986 404540826 /nfs/dbraw/zinc/54/08/26/404540826.db2.gz OBAHKLGTLISPMK-CQSZACIVSA-N 0 3 302.334 2.117 20 5 DEBDHN CN(C)C(=O)[C@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000414503458 404659455 /nfs/dbraw/zinc/65/94/55/404659455.db2.gz WHUTWIOTDXKAEP-VSKVDJIOSA-N 0 3 303.362 2.018 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(OCCO)CC1 ZINC000352767948 404606264 /nfs/dbraw/zinc/60/62/64/404606264.db2.gz DTCFZQDSFOIBEK-CYBMUJFWSA-N 0 3 308.378 2.438 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H]1CSC[C@@H]1C ZINC000352790227 404623415 /nfs/dbraw/zinc/62/34/15/404623415.db2.gz DWTFHQTWQPNDBQ-GXFFZTMASA-N 0 3 309.391 2.183 20 5 DEBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000330555706 404686837 /nfs/dbraw/zinc/68/68/37/404686837.db2.gz VTGHPBBRLGNESO-ZDUSSCGKSA-N 0 3 319.405 2.326 20 5 DEBDHN Cc1ccc(NC(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)cc1[N+](=O)[O-] ZINC000414662406 404703401 /nfs/dbraw/zinc/70/34/01/404703401.db2.gz RGHOVDHDVKTHSE-PWSUYJOCSA-N 0 3 322.365 2.138 20 5 DEBDHN CC(C)(C)[C@H]1NC(=O)CC[C@@H]1NCc1csc([N+](=O)[O-])c1 ZINC000353118970 404746868 /nfs/dbraw/zinc/74/68/68/404746868.db2.gz NEUDRUAIFNJPAS-GWCFXTLKSA-N 0 3 311.407 2.439 20 5 DEBDHN O=C(NC[C@@H]1CCCCN1C1CC1)c1ccc([N+](=O)[O-])cc1F ZINC000434423891 404895812 /nfs/dbraw/zinc/89/58/12/404895812.db2.gz GVEWKZBPPXMJLY-ZDUSSCGKSA-N 0 3 321.352 2.481 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H](C)NC[C@H]1C ZINC000415649365 404906422 /nfs/dbraw/zinc/90/64/22/404906422.db2.gz DHZZYWJFEVWEJQ-WDEREUQCSA-N 0 3 322.365 2.208 20 5 DEBDHN COCC(C)(C)N1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000425354820 405278598 /nfs/dbraw/zinc/27/85/98/405278598.db2.gz STEIQTQQOXQRAA-UHFFFAOYSA-N 0 3 321.421 2.446 20 5 DEBDHN CO[C@@H]1C[C@@H](N[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC000439523556 405283943 /nfs/dbraw/zinc/28/39/43/405283943.db2.gz YGIFEYKNEDJLKS-ZLKJLUDKSA-N 0 3 321.377 2.325 20 5 DEBDHN CN1C[C@@H]2CCCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000425056369 405237965 /nfs/dbraw/zinc/23/79/65/405237965.db2.gz KAJBSEDEIBUFSO-GXFFZTMASA-N 0 3 323.780 2.414 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425057640 405239412 /nfs/dbraw/zinc/23/94/12/405239412.db2.gz BFDRJQJUVDFKLF-GXTWGEPZSA-N 0 3 303.362 2.069 20 5 DEBDHN COCCCCN(C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000419395625 405247616 /nfs/dbraw/zinc/24/76/16/405247616.db2.gz YFMMAPZMEGQDAZ-HNNXBMFYSA-N 0 3 321.377 2.059 20 5 DEBDHN CCOc1cc(CN[C@]2(CCOC)CCOC2)ccc1[N+](=O)[O-] ZINC000447382641 405412431 /nfs/dbraw/zinc/41/24/31/405412431.db2.gz JHULTUBQAUTMKU-MRXNPFEDSA-N 0 3 324.377 2.279 20 5 DEBDHN CN(C[C@@H]1CCCN1C)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000493089183 405525874 /nfs/dbraw/zinc/52/58/74/405525874.db2.gz VYKBPNKLUKOKCN-HBWSCVEGSA-N 0 3 303.362 2.161 20 5 DEBDHN Cc1c(C(=O)N2[C@@H]3CC[C@H]2CCN(C)C3)cccc1[N+](=O)[O-] ZINC000556963195 405565275 /nfs/dbraw/zinc/56/52/75/405565275.db2.gz QNBBGOQCJLUUOK-QWHCGFSZSA-N 0 3 303.362 2.212 20 5 DEBDHN C[C@H](N[C@]1(C)CCO[C@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000494231541 405666674 /nfs/dbraw/zinc/66/66/74/405666674.db2.gz SQZQRBTUBMCZMY-ZIBATOQPSA-N 0 3 307.350 2.079 20 5 DEBDHN CN(C)CC(C)(C)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000457256093 405769649 /nfs/dbraw/zinc/76/96/49/405769649.db2.gz YOJTWPNOPWZTAW-UHFFFAOYSA-N 0 3 304.350 2.146 20 5 DEBDHN CN1CC[C@H](C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000532637650 406090146 /nfs/dbraw/zinc/09/01/46/406090146.db2.gz CZJFYIOMOBKPGQ-ZDUSSCGKSA-N 0 3 303.362 2.038 20 5 DEBDHN CC[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000459782363 406043353 /nfs/dbraw/zinc/04/33/53/406043353.db2.gz UUIRHANKUKNHSH-GDLCADMTSA-N 0 3 307.350 2.079 20 5 DEBDHN CS[C@H]1CN(c2ncccc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000548120541 406483191 /nfs/dbraw/zinc/48/31/91/406483191.db2.gz MIEQSTJTZWUZHM-OLZOCXBDSA-N 0 3 308.407 2.006 20 5 DEBDHN CCN(CC)Cc1cccc(NC(=O)c2c[nH]nc2[N+](=O)[O-])c1 ZINC000547754382 406443187 /nfs/dbraw/zinc/44/31/87/406443187.db2.gz BNKJOAGEMKUZOK-UHFFFAOYSA-N 0 3 317.349 2.412 20 5 DEBDHN CN(C)C[C@H]1CCCN1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000491465621 406599594 /nfs/dbraw/zinc/59/95/94/406599594.db2.gz RXWSDWHLGMYFTG-CFYYFVFUSA-N 0 3 303.362 2.161 20 5 DEBDHN O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])NCCN1CCCCC1 ZINC000491336316 406571293 /nfs/dbraw/zinc/57/12/93/406571293.db2.gz UHJRIFNOMCTFRH-ALCCZGGFSA-N 0 3 321.352 2.349 20 5 DEBDHN CCN1CCCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000491752585 406702696 /nfs/dbraw/zinc/70/26/96/406702696.db2.gz UGTIEMSLUZFGLW-TWGQIWQCSA-N 0 3 303.362 2.162 20 5 DEBDHN CC[C@@H](O)CN(CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000134487638 196395544 /nfs/dbraw/zinc/39/55/44/196395544.db2.gz DWOCHHNCHQDQSL-OAHLLOKOSA-N 0 3 318.377 2.064 20 5 DEBDHN CC(C)Oc1nc(N[C@H]2CCN(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000521899219 421804770 /nfs/dbraw/zinc/80/47/70/421804770.db2.gz OHSOTURWFIWVTR-NSHDSACASA-N 0 3 306.366 2.426 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1CN1CCN(C)[C@H](C(C)C)C1 ZINC000430245955 269128031 /nfs/dbraw/zinc/12/80/31/269128031.db2.gz VCQVCSXKZZVVIR-HNNXBMFYSA-N 0 3 307.394 2.375 20 5 DEBDHN C[C@H](N[C@@H]1CC(=O)N2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000337884219 278269802 /nfs/dbraw/zinc/26/98/02/278269802.db2.gz WRRRQBWHYOHHPO-NILFDRSVSA-N 0 3 303.362 2.399 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000194822841 281258224 /nfs/dbraw/zinc/25/82/24/281258224.db2.gz JQLRVQLSLRLGQD-RYUDHWBXSA-N 0 3 303.362 2.258 20 5 DEBDHN N[C@H](CC(F)F)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000573688515 326082109 /nfs/dbraw/zinc/08/21/09/326082109.db2.gz UJUDKKGMQOIFBY-GFCCVEGCSA-N 0 3 313.304 2.068 20 5 DEBDHN C[C@H](C(=O)NCCN1CC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000574250353 326136653 /nfs/dbraw/zinc/13/66/53/326136653.db2.gz JJAMHNXVJNLTAX-OLZOCXBDSA-N 0 3 305.378 2.156 20 5 DEBDHN C[C@H]1C[C@H](C)CN(CCn2cc([N+](=O)[O-])cc(Cl)c2=O)C1 ZINC000576479623 326297338 /nfs/dbraw/zinc/29/73/38/326297338.db2.gz HDLPQVWAEQFFMM-QWRGUYRKSA-N 0 3 313.785 2.388 20 5 DEBDHN C[C@H](CN(C)C)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000346133223 335379623 /nfs/dbraw/zinc/37/96/23/335379623.db2.gz JFODGUYWQMXFGM-GFCCVEGCSA-N 0 3 323.396 2.361 20 5 DEBDHN CCOCCO[C@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000157602193 520035369 /nfs/dbraw/zinc/03/53/69/520035369.db2.gz JXQSZBJBLRRKCB-INIZCTEOSA-N 0 3 324.377 2.101 20 5 DEBDHN CCOC(=O)[C@H](C)[C@@H](C)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000338305606 521222478 /nfs/dbraw/zinc/22/24/78/521222478.db2.gz SNTSVBWLDHLLQP-GHMZBOCLSA-N 0 3 310.350 2.281 20 5 DEBDHN CC[C@H]1CN(Cc2cccc([N+](=O)[O-])c2C)CCN1C[C@H](C)O ZINC000247566420 523292485 /nfs/dbraw/zinc/29/24/85/523292485.db2.gz GQDUJYKHDCNJIO-BBRMVZONSA-N 0 3 321.421 2.180 20 5 DEBDHN CC[NH+](CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[n-]1)c1ccco1 ZINC000299378439 528244634 /nfs/dbraw/zinc/24/46/34/528244634.db2.gz UHHUMNIXDRXUJW-LBPRGKRZSA-N 0 3 320.349 2.329 20 5 DEBDHN CC1(C)CCCN(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000444621424 528933694 /nfs/dbraw/zinc/93/36/94/528933694.db2.gz ZUYKWZWYOFNQCI-UHFFFAOYSA-N 0 3 319.405 2.376 20 5 DEBDHN CC(C)(NCCn1cc([N+](=O)[O-])ccc1=O)c1cccs1 ZINC000348397735 535248928 /nfs/dbraw/zinc/24/89/28/535248928.db2.gz AUWGPEYFSMKLIP-UHFFFAOYSA-N 0 3 307.375 2.343 20 5 DEBDHN CC[C@H](NC[C@H]1CN2CCC[C@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000320854280 535914109 /nfs/dbraw/zinc/91/41/09/535914109.db2.gz XIIHNSQYJFCVOS-ULQDDVLXSA-N 0 3 319.405 2.499 20 5 DEBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000246718314 536472380 /nfs/dbraw/zinc/47/23/80/536472380.db2.gz OAVHOHIDFASSCC-WDEREUQCSA-N 0 3 309.391 2.213 20 5 DEBDHN COc1cc(C(=O)N[C@@H]2CCCN(C)[C@H]2C)cc([N+](=O)[O-])c1C ZINC000359869200 536503461 /nfs/dbraw/zinc/50/34/61/536503461.db2.gz CZBYAAGQHWHGSS-WCQYABFASA-N 0 3 321.377 2.124 20 5 DEBDHN C[C@@H]1C[C@@H](Nc2ccc3nonc3c2[N+](=O)[O-])CN1C1CC1 ZINC000892876887 625683206 /nfs/dbraw/zinc/68/32/06/625683206.db2.gz YPHOEFOYAFJLTG-RKDXNWHRSA-N 0 3 303.322 2.168 20 5 DEBDHN COc1c(O)ccc(CN(C)C[C@H]2CCCOC2)c1[N+](=O)[O-] ZINC000891948756 624675800 /nfs/dbraw/zinc/67/58/00/624675800.db2.gz LPBZOZIUOIMVON-LLVKDONJSA-N 0 3 310.350 2.167 20 5 DEBDHN CC(COC(=O)[C@H]1c2ccccc2C(=O)OC12CCC2)[N+](=O)[O-] ZINC000893048813 625078996 /nfs/dbraw/zinc/07/89/96/625078996.db2.gz ZJAIVEOKNFELJO-ZWNOBZJWSA-N 0 3 319.313 2.072 20 5 DEBDHN C[C@H](NC(=O)N[C@@H]1CCN(C)[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000921807721 635350927 /nfs/dbraw/zinc/35/09/27/635350927.db2.gz SJWPECPPZDWMME-DMDPSCGWSA-N 0 3 306.366 2.048 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCOC12CCOCC2 ZINC000924954673 636652191 /nfs/dbraw/zinc/65/21/91/636652191.db2.gz KNICDIBKNBXQAA-OAHLLOKOSA-N 0 3 322.361 2.031 20 5 DEBDHN COc1c(O)ccc(CN2CCCCC[C@H]2CCO)c1[N+](=O)[O-] ZINC000894292100 636723099 /nfs/dbraw/zinc/72/30/99/636723099.db2.gz BKSIQQXIDTYKJG-ZDUSSCGKSA-N 0 3 324.377 2.436 20 5 DEBDHN COc1c([O-])ccc(C[NH2+]C[C@H]2CCOC[C@H]2C)c1[N+](=O)[O-] ZINC000894420103 637030005 /nfs/dbraw/zinc/03/00/05/637030005.db2.gz NPHYSWHZHIMSEV-GHMZBOCLSA-N 0 3 310.350 2.071 20 5 DEBDHN CO[C@H](CNCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000895309710 637912801 /nfs/dbraw/zinc/91/28/01/637912801.db2.gz QFVKEOJRTLUQEU-BXUZGUMPSA-N 0 3 314.769 2.389 20 5 DEBDHN O=[N+]([O-])c1ccccc1/C=C/CN1CC[C@@H](C2OCCO2)C1 ZINC000896384206 638496223 /nfs/dbraw/zinc/49/62/23/638496223.db2.gz JMOQNWKODITSDP-LYKUJDHUSA-N 0 3 304.346 2.303 20 5 DEBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCCN(C)C1 ZINC000755255366 639534648 /nfs/dbraw/zinc/53/46/48/639534648.db2.gz BGSNNRFHDRFLQC-IEZBTEQYSA-N 0 3 303.362 2.209 20 5 DEBDHN COc1c(O)ccc(CNC[C@@H]2CC[C@@H](C3CC3)O2)c1[N+](=O)[O-] ZINC000897506087 640511703 /nfs/dbraw/zinc/51/17/03/640511703.db2.gz ULIVUKLMAGJUEN-JSGCOSHPSA-N 0 3 322.361 2.356 20 5 DEBDHN CCOC1CC(O)(CNCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000767739210 641016489 /nfs/dbraw/zinc/01/64/89/641016489.db2.gz PHCHIBSNGKWUMA-UHFFFAOYSA-N 0 3 314.769 2.268 20 5 DEBDHN Cc1c([C@H](C)NC[C@H](O)c2ccnn2C)cccc1[N+](=O)[O-] ZINC000927132967 641674067 /nfs/dbraw/zinc/67/40/67/641674067.db2.gz PKSKRRAPWPTZMB-NHYWBVRUSA-N 0 3 304.350 2.021 20 5 DEBDHN Cc1cnc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000905575721 643956936 /nfs/dbraw/zinc/95/69/36/643956936.db2.gz KGTYWTWZMYVBDR-INIZCTEOSA-N 0 3 301.346 2.430 20 5 DEBDHN CN(C[C@H]1CCCN1C)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000168649125 646594072 /nfs/dbraw/zinc/59/40/72/646594072.db2.gz FSZRVYAFNUIWRQ-LLVKDONJSA-N 0 3 311.769 2.414 20 5 DEBDHN CC(COC(=O)CCc1ccc(OC(F)F)cc1)[N+](=O)[O-] ZINC000813102928 646728966 /nfs/dbraw/zinc/72/89/66/646728966.db2.gz LSUGCYJQNHPJIO-VIFPVBQESA-N 0 3 303.261 2.429 20 5 DEBDHN COc1ccc(Br)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813102073 646729065 /nfs/dbraw/zinc/72/90/65/646729065.db2.gz NKYJKNQNWBTVEB-SSDOTTSWSA-N 0 3 318.123 2.280 20 5 DEBDHN Cc1ccc(-c2nc(CC(=O)OCC(C)[N+](=O)[O-])cs2)o1 ZINC000813109728 646730736 /nfs/dbraw/zinc/73/07/36/646730736.db2.gz VQFPSKAYQNLDBC-QMMMGPOBSA-N 0 3 310.331 2.462 20 5 DEBDHN CC(COC(=O)c1ccnc(N2CCC[C@H](C)C2)c1)[N+](=O)[O-] ZINC000813114012 646732070 /nfs/dbraw/zinc/73/20/70/646732070.db2.gz KXYRCWDRKCMMGV-NWDGAFQWSA-N 0 3 307.350 2.140 20 5 DEBDHN Cc1cc(C)c(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000819357157 647642920 /nfs/dbraw/zinc/64/29/20/647642920.db2.gz NMYJOXWGDPDSLA-INIZCTEOSA-N 0 3 301.346 2.430 20 5 DEBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@H]2COCc3ccccc32)c1 ZINC000819373265 647645623 /nfs/dbraw/zinc/64/56/23/647645623.db2.gz FSNVBRSTHDAZNR-IRXDYDNUSA-N 0 3 314.341 2.489 20 5 DEBDHN CC(=O)N1C[C@H]2CN([C@@H](C)c3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC000821329081 648034673 /nfs/dbraw/zinc/03/46/73/648034673.db2.gz UYRNYXQWIIEYCV-FPMFFAJLSA-N 0 3 303.362 2.066 20 5 DEBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CCCN1C ZINC000823134301 648359428 /nfs/dbraw/zinc/35/94/28/648359428.db2.gz YCEZKRZLKBGJPT-GFCCVEGCSA-N 0 3 323.418 2.483 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000823801007 648486227 /nfs/dbraw/zinc/48/62/27/648486227.db2.gz UKSLXEJOOFCUCN-DZGCQCFKSA-N 0 3 317.389 2.378 20 5 DEBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN[C@@H](C(C)C)C1 ZINC000826762739 648923016 /nfs/dbraw/zinc/92/30/16/648923016.db2.gz KTCMPVWHIFXBCS-CYBMUJFWSA-N 0 3 323.418 2.387 20 5 DEBDHN C[C@@H]1CCCN1CCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000828833113 649229720 /nfs/dbraw/zinc/22/97/20/649229720.db2.gz CRYJYYWHZFEAEX-SNVBAGLBSA-N 0 3 311.769 2.462 20 5 DEBDHN CCC[C@H](C)[C@@H](CO)NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000844373921 651119960 /nfs/dbraw/zinc/11/99/60/651119960.db2.gz AMGUZAKQXXWCBO-GXFFZTMASA-N 0 3 311.338 2.390 20 5 DEBDHN Cc1cnn(C)c1C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845875609 651291049 /nfs/dbraw/zinc/29/10/49/651291049.db2.gz AFZMKJPWYREIIC-HZMBPMFUSA-N 0 3 321.308 2.431 20 5 DEBDHN CC([C@@H](OC(=O)Cc1ccnn1C)c1ccccc1F)[N+](=O)[O-] ZINC000845884109 651292026 /nfs/dbraw/zinc/29/20/26/651292026.db2.gz XMYRVJOEJHQEAK-MEBBXXQBSA-N 0 3 321.308 2.051 20 5 DEBDHN Cc1cc(C(=O)NC[C@H]2CCN2C(C)(C)C)c(N)c([N+](=O)[O-])c1 ZINC000855164369 651638961 /nfs/dbraw/zinc/63/89/61/651638961.db2.gz KXLFUFPPDFYYKT-LLVKDONJSA-N 0 3 320.393 2.088 20 5 DEBDHN CC1(C)CC[C@H](CO)N(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000856803984 651989205 /nfs/dbraw/zinc/98/92/05/651989205.db2.gz OKZFAJZBTQIDBT-CABCVRRESA-N 0 3 308.378 2.111 20 5 DEBDHN CC(COC(=O)[C@@H](C(=O)OC(C)(C)C)C(C)(C)C)[N+](=O)[O-] ZINC000851036128 652050004 /nfs/dbraw/zinc/05/00/04/652050004.db2.gz FRXGRKSNJJIIFE-ZJUUUORDSA-N 0 3 303.355 2.199 20 5 DEBDHN O=[N+]([O-])c1ccc([C@@H](O)CNCc2ccc(Cl)nc2)cc1 ZINC000857332195 652107173 /nfs/dbraw/zinc/10/71/73/652107173.db2.gz MWFZSUVEEQKUOD-ZDUSSCGKSA-N 0 3 307.737 2.466 20 5 DEBDHN C[C@H](CN1CCOCC1)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093632820 684050234 /nfs/dbraw/zinc/05/02/34/684050234.db2.gz FLQXFNZXFYGSRL-LLVKDONJSA-N 0 3 313.785 2.059 20 5 DEBDHN CC(COC(=O)c1ccc(O[C@H]2CC2(F)F)cc1)[N+](=O)[O-] ZINC000860776134 685960177 /nfs/dbraw/zinc/96/01/77/685960177.db2.gz BXNKDCWGWVMWMI-KCJUWKMLSA-N 0 3 301.245 2.295 20 5 DEBDHN CCOC(=O)C1=CC[C@H](NCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000862487229 686309686 /nfs/dbraw/zinc/30/96/86/686309686.db2.gz MJOQCTQNOVULGS-ZDUSSCGKSA-N 0 3 320.345 2.345 20 5 DEBDHN CC(C)N1CCC[C@@H]1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000930073814 694084040 /nfs/dbraw/zinc/08/40/40/694084040.db2.gz DJRJTXQTKFNAPY-OAHLLOKOSA-N 0 3 305.378 2.426 20 5 DEBDHN Cc1cc(N[C@H]2CCN(CC(C)(C)O)C2)c(F)cc1[N+](=O)[O-] ZINC000865996565 687403449 /nfs/dbraw/zinc/40/34/49/687403449.db2.gz KMOWODKTRKAOMG-NSHDSACASA-N 0 3 311.357 2.299 20 5 DEBDHN CN(CCN1CC2(C1)CCOCC2)c1ccccc1[N+](=O)[O-] ZINC000866255807 687510051 /nfs/dbraw/zinc/51/00/51/687510051.db2.gz CAMJNZCDQYTYOH-UHFFFAOYSA-N 0 3 305.378 2.143 20 5 DEBDHN CC(C)NC(=O)[C@H](C)N[C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866374037 687551217 /nfs/dbraw/zinc/55/12/17/687551217.db2.gz AEQDTJXSEHGJPY-QWRGUYRKSA-N 0 3 311.357 2.168 20 5 DEBDHN O=C(N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1)C1CC=CC1 ZINC001020041304 688448054 /nfs/dbraw/zinc/44/80/54/688448054.db2.gz YLUGDWPMANMKMM-SHTZXODSSA-N 0 3 315.373 2.298 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN(C)C(C)(C)CC1 ZINC000871156458 688739440 /nfs/dbraw/zinc/73/94/40/688739440.db2.gz ARYLHDDPGNDBQQ-UHFFFAOYSA-N 0 3 305.378 2.460 20 5 DEBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCCC(=O)N(C)C ZINC000872030195 688916106 /nfs/dbraw/zinc/91/61/06/688916106.db2.gz ARQFAVIPQKNKGD-JTQLQIEISA-N 0 3 311.407 2.446 20 5 DEBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@]1(O)CCOC1 ZINC000872050430 688919703 /nfs/dbraw/zinc/91/97/03/688919703.db2.gz AJLWBGPAFYQEED-HZMBPMFUSA-N 0 3 312.391 2.119 20 5 DEBDHN C[C@@H](NCCCc1cnn(C)n1)c1c(F)cccc1[N+](=O)[O-] ZINC000872072497 688922075 /nfs/dbraw/zinc/92/20/75/688922075.db2.gz HGERDOIWAJTONX-SNVBAGLBSA-N 0 3 307.329 2.146 20 5 DEBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H]1CCCNC1=O ZINC000872080740 688923314 /nfs/dbraw/zinc/92/33/14/688923314.db2.gz YXHCTFSXLQITQE-MNOVXSKESA-N 0 3 323.418 2.494 20 5 DEBDHN CCc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCCN3C)cc1[N+](=O)[O-] ZINC000874838057 689511051 /nfs/dbraw/zinc/51/10/51/689511051.db2.gz MHPKYMOHCHXOOY-GJZGRUSLSA-N 0 3 317.389 2.466 20 5 DEBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000874845918 689515765 /nfs/dbraw/zinc/51/57/65/689515765.db2.gz WWTMNQDYQXTLHC-KBPBESRZSA-N 0 3 307.325 2.043 20 5 DEBDHN Cc1ccc(CNC(=O)N(CCN(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000876168996 689773185 /nfs/dbraw/zinc/77/31/85/689773185.db2.gz IPXOSGIJSHGCCT-UHFFFAOYSA-N 0 3 322.409 2.385 20 5 DEBDHN CN1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C(C)(C)C ZINC000878840567 690511635 /nfs/dbraw/zinc/51/16/35/690511635.db2.gz OGPQVXJPRUVOBR-JKSUJKDBSA-N 0 3 321.421 2.290 20 5 DEBDHN CC(C)(O)C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000879626290 690692551 /nfs/dbraw/zinc/69/25/51/690692551.db2.gz SNZZVVNYASZJCM-UHFFFAOYSA-N 0 3 308.378 2.457 20 5 DEBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCC[C@@H]1CCCS1(=O)=O ZINC000883309952 691479677 /nfs/dbraw/zinc/47/96/77/691479677.db2.gz XNWLKJNTKNAERC-SMDDNHRTSA-N 0 3 324.402 2.139 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN[C@H]1CC(=O)N(CC2CC2)C1 ZINC000883401897 691498728 /nfs/dbraw/zinc/49/87/28/691498728.db2.gz BPIXWPKXZWROCD-AWEZNQCLSA-N 0 3 317.389 2.312 20 5 DEBDHN CCCN(CCN(C)C)C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000932034963 694533800 /nfs/dbraw/zinc/53/38/00/694533800.db2.gz SVIBTISWDFKUPX-HZPDHXFCSA-N 0 3 319.405 2.499 20 5 DEBDHN Cc1csc(=O)n1CCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932178441 694567999 /nfs/dbraw/zinc/56/79/99/694567999.db2.gz MKMNDHSMUNBBGZ-LLVKDONJSA-N 0 3 307.375 2.477 20 5 DEBDHN O=C(OCc1cccc([N+](=O)[O-])c1)C1CCCN(C2CC2)C1=O ZINC000924062217 693086481 /nfs/dbraw/zinc/08/64/81/693086481.db2.gz OAGUIXHSDZBQFX-CQSZACIVSA-N 0 3 318.329 2.039 20 5 DEBDHN CCN(C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCN(C)C1 ZINC001346289546 1150964792 /nfs/dbraw/zinc/96/47/92/1150964792.db2.gz YMCHUXGGIDQOAL-NSHDSACASA-N 0 3 322.365 2.161 20 5 DEBDHN COC(=O)Cc1ccc(NC[C@@H]2CCCCN2C)c([N+](=O)[O-])c1 ZINC001348380284 1151150900 /nfs/dbraw/zinc/15/09/00/1151150900.db2.gz YHRRHZSFNFDMIG-ZDUSSCGKSA-N 0 3 321.377 2.207 20 5 DEBDHN C[C@@H]1NC[C@H](C)N(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC001354893008 1151952766 /nfs/dbraw/zinc/95/27/66/1151952766.db2.gz IRIFBKZWIXACDB-PVIIJVKYSA-N 0 3 317.389 2.296 20 5 DEBDHN COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1N[C@H]1CCN(C)C1 ZINC001167280830 776825356 /nfs/dbraw/zinc/82/53/56/776825356.db2.gz DXLBEKPCZOCIKE-QMMMGPOBSA-N 0 3 313.741 2.151 20 5 DEBDHN Cc1cc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)co1 ZINC001126219906 778612175 /nfs/dbraw/zinc/61/21/75/778612175.db2.gz NYEYOGLPBJWWPY-UHFFFAOYSA-N 0 3 303.318 2.016 20 5 DEBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1ccoc1Cl ZINC001126355506 778821688 /nfs/dbraw/zinc/82/16/88/778821688.db2.gz AZBYIKIOVIYSGZ-UHFFFAOYSA-N 0 3 323.736 2.361 20 5 DEBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2CC[C@@H](N3CCCCC3)[C@@H](F)C2)C1 ZINC001169051945 785022537 /nfs/dbraw/zinc/02/25/37/785022537.db2.gz DPJGTFKWUHYOOT-XUWVNRHRSA-N 0 3 313.417 2.330 20 5 DEBDHN COc1ccc(C[C@H](C)N2CC[C@@](C)(CO)C2)c([N+](=O)[O-])c1 ZINC001170329064 786910457 /nfs/dbraw/zinc/91/04/57/786910457.db2.gz NVWXOSRTAVLPTD-BLLLJJGKSA-N 0 3 308.378 2.239 20 5 DEBDHN COc1ccc(C[C@@H](C)N2CC[C@H]3OCC[C@H]32)c([N+](=O)[O-])c1 ZINC001170335642 786914918 /nfs/dbraw/zinc/91/49/18/786914918.db2.gz PSVVFJYKQIYPMX-DJSGYFEHSA-N 0 3 306.362 2.398 20 5 DEBDHN CC(F)(F)CCC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001130384646 787374139 /nfs/dbraw/zinc/37/41/39/787374139.db2.gz MQGCXLYHBJIULX-UHFFFAOYSA-N 0 3 315.320 2.236 20 5 DEBDHN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC001137492159 788370886 /nfs/dbraw/zinc/37/08/86/788370886.db2.gz MBTAQMJSCBHPDT-WDEREUQCSA-N 0 3 321.352 2.397 20 5 DEBDHN CCN(CC)CC(=O)N(C)CCNc1ccc(C)cc1[N+](=O)[O-] ZINC001101628563 793280924 /nfs/dbraw/zinc/28/09/24/793280924.db2.gz QWSSRWCYGNRYER-UHFFFAOYSA-N 0 3 322.409 2.115 20 5 DEBDHN COC(=O)CC1CN([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172917732 793531042 /nfs/dbraw/zinc/53/10/42/793531042.db2.gz WQKAWGOMAWUYRK-OAHLLOKOSA-N 0 3 318.373 2.337 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCN3CC[C@@H]3C2)c1F ZINC001173194586 793625193 /nfs/dbraw/zinc/62/51/93/793625193.db2.gz VWJKCBWIJAZPRT-NWDGAFQWSA-N 0 3 323.368 2.063 20 5 DEBDHN CC(=O)N[C@@H]1CCCN([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173225671 793642640 /nfs/dbraw/zinc/64/26/40/793642640.db2.gz FHOVOOFKUKFENB-SWLSCSKDSA-N 0 3 305.378 2.126 20 5 DEBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC(F)(F)[C@H](CO)C1 ZINC001173229867 793644724 /nfs/dbraw/zinc/64/47/24/793644724.db2.gz VWUINDUVCWHOCN-YPMHNXCESA-N 0 3 314.332 2.475 20 5 DEBDHN CCN1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2OC)C(C)(C)C1 ZINC001178860544 795022009 /nfs/dbraw/zinc/02/20/09/795022009.db2.gz FBNFMDJPWAOJHX-AWEZNQCLSA-N 0 3 321.377 2.064 20 5 DEBDHN CN(C)c1ccccc1CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001120487618 795470806 /nfs/dbraw/zinc/47/08/06/795470806.db2.gz BYZIMADJJXCYAB-QGZVFWFLSA-N 0 3 315.373 2.484 20 5 DEBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CCCCN1C ZINC001122277106 795742603 /nfs/dbraw/zinc/74/26/03/795742603.db2.gz LIHRUWAZXWKYJH-CQSZACIVSA-N 0 3 320.393 2.221 20 5 DEBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])C1(CCF)CC1 ZINC001163141959 799260018 /nfs/dbraw/zinc/26/00/18/799260018.db2.gz FGULYYZIDZHLLR-UHFFFAOYSA-N 0 3 323.368 2.331 20 5 DEBDHN CN(CCN1CCCC1)c1nc(Cl)nc(Cl)c1[N+](=O)[O-] ZINC001165139926 799662243 /nfs/dbraw/zinc/66/22/43/799662243.db2.gz NZCVANLSTHYSAD-UHFFFAOYSA-N 0 3 320.180 2.224 20 5 DEBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCOC23CCOCC3)c(F)c1 ZINC000934404822 800343517 /nfs/dbraw/zinc/34/35/17/800343517.db2.gz FMVNEQHWMRUPSV-AWEZNQCLSA-N 0 3 310.325 2.162 20 5 DEBDHN C[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1cnn(CC2CCC2)c1 ZINC000934553393 800387223 /nfs/dbraw/zinc/38/72/23/800387223.db2.gz BKYIVRKWBITXRJ-GFCCVEGCSA-N 0 3 318.381 2.139 20 5 DEBDHN COCCN1CCC(Oc2ccc([N+](=O)[O-])nc2Cl)CC1 ZINC001229919614 801337799 /nfs/dbraw/zinc/33/77/99/801337799.db2.gz NPPNUORKJNKCMU-UHFFFAOYSA-N 0 3 315.757 2.133 20 5 DEBDHN CCN1CCC[C@@H](Oc2cc([N+](=O)[O-])ccc2C(=O)OC)C1 ZINC001225452064 802967815 /nfs/dbraw/zinc/96/78/15/802967815.db2.gz XLDBAWNUIQJBHS-GFCCVEGCSA-N 0 3 308.334 2.245 20 5 DEBDHN CCN1CCC(Oc2c(C(=O)OC)cccc2[N+](=O)[O-])CC1 ZINC001227122342 803204256 /nfs/dbraw/zinc/20/42/56/803204256.db2.gz NOWLFDGHOWDHGM-UHFFFAOYSA-N 0 3 308.334 2.245 20 5 DEBDHN CC(C)[N@@H+]1CCC[C@@H](Oc2ncc([N+](=O)[O-])c3nc[n-]c32)C1 ZINC001227690164 803268105 /nfs/dbraw/zinc/26/81/05/803268105.db2.gz GTKUBAWONKEGQZ-SNVBAGLBSA-N 0 3 305.338 2.118 20 5 DEBDHN CC(C)[N@H+]1CCC[C@@H](Oc2ncc([N+](=O)[O-])c3nc[n-]c32)C1 ZINC001227690164 803268109 /nfs/dbraw/zinc/26/81/09/803268109.db2.gz GTKUBAWONKEGQZ-SNVBAGLBSA-N 0 3 305.338 2.118 20 5 DEBDHN CCN1CCC[C@H](Oc2cccc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC001227896863 803292611 /nfs/dbraw/zinc/29/26/11/803292611.db2.gz KDRPPWDAUDTTAP-NSHDSACASA-N 0 3 308.334 2.245 20 5 DEBDHN CCN(C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC001331300890 1149414870 /nfs/dbraw/zinc/41/48/70/1149414870.db2.gz BXBNNHVQVQMFSZ-LLVKDONJSA-N 0 3 310.329 2.292 20 5 DEBDHN C[C@H]1CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001328476389 1148801009 /nfs/dbraw/zinc/80/10/09/1148801009.db2.gz PBTLXSFEIVACII-JTQLQIEISA-N 0 3 311.769 2.320 20 5 DEBDHN C[C@@H]1CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001328476390 1148801054 /nfs/dbraw/zinc/80/10/54/1148801054.db2.gz PBTLXSFEIVACII-SNVBAGLBSA-N 0 3 311.769 2.320 20 5 DEBDHN CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603999407 1070170479 /nfs/dbraw/zinc/17/04/79/1070170479.db2.gz WXAPMZKCQVYBOO-UWVGGRQHSA-N 0 3 304.354 2.299 20 5 DEBDHN CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603999407 1070170486 /nfs/dbraw/zinc/17/04/86/1070170486.db2.gz WXAPMZKCQVYBOO-UWVGGRQHSA-N 0 3 304.354 2.299 20 5 DEBDHN CC[C@H]([NH2+]Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CC1 ZINC001604062748 1070194342 /nfs/dbraw/zinc/19/43/42/1070194342.db2.gz UQNMEOCBIHBQMI-LBPRGKRZSA-N 0 3 302.338 2.053 20 5 DEBDHN CC[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1CC1 ZINC001604062748 1070194347 /nfs/dbraw/zinc/19/43/47/1070194347.db2.gz UQNMEOCBIHBQMI-LBPRGKRZSA-N 0 3 302.338 2.053 20 5 DEBDHN CCN(CCCNC(=O)C(F)F)Cc1ccc([N+](=O)[O-])cc1 ZINC001479830627 1061856628 /nfs/dbraw/zinc/85/66/28/1061856628.db2.gz IQRLVYNQLFHDGJ-UHFFFAOYSA-N 0 3 315.320 2.188 20 5 DEBDHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)C(C)(C)F ZINC001568719513 1065074626 /nfs/dbraw/zinc/07/46/26/1065074626.db2.gz LTJOZANJHUMVRI-UHFFFAOYSA-N 0 3 311.357 2.281 20 5 DEBDHN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](C)CN2CCC(C)CC2)n1 ZINC001629321289 1078314557 /nfs/dbraw/zinc/31/45/57/1078314557.db2.gz VAJKAYSYACZKDY-ZDUSSCGKSA-N 0 3 320.393 2.148 20 5 DEBDHN CCOc1cc(NC(=O)N2C[C@H](C)NC[C@H]2C)ccc1[N+](=O)[O-] ZINC001578168216 1067003163 /nfs/dbraw/zinc/00/31/63/1067003163.db2.gz ANIFXGWPFRKIOD-WDEREUQCSA-N 0 3 322.365 2.208 20 5 DEBDHN CN1C[C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C(C)(C)C1 ZINC001635648759 1078455677 /nfs/dbraw/zinc/45/56/77/1078455677.db2.gz JIURALORZCBOSX-CYBMUJFWSA-N 0 3 316.361 2.146 20 5 DEBDHN Cc1cc(C(=O)N[C@@H]2CCCN(C(C)C)C2)c(N)c([N+](=O)[O-])c1 ZINC001638145404 1078551451 /nfs/dbraw/zinc/55/14/51/1078551451.db2.gz JDXZQULPHKDKDU-GFCCVEGCSA-N 0 3 320.393 2.088 20 5 DEBDHN CCN(CC)[C@H](CNc1nn(C)cc1[N+](=O)[O-])c1ccco1 ZINC001642160913 1078743322 /nfs/dbraw/zinc/74/33/22/1078743322.db2.gz JRFXCCUOJMXTFJ-LLVKDONJSA-N 0 3 307.354 2.416 20 5 DEBDHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)C1(C)CCC1 ZINC001267412589 1078834044 /nfs/dbraw/zinc/83/40/44/1078834044.db2.gz GKECUFPCXPUXDC-UHFFFAOYSA-N 0 3 305.378 2.333 20 5 DEBDHN CC[C@H](C)N[C@@H](CNc1nn(C)cc1[N+](=O)[O-])c1ccco1 ZINC001559187751 1075114570 /nfs/dbraw/zinc/11/45/70/1075114570.db2.gz YBRRPAXBFQYAKF-QWRGUYRKSA-N 0 3 307.354 2.463 20 5 DEBDHN COc1cc(CN[C@@H]2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1[O-] ZINC001560358681 1075138611 /nfs/dbraw/zinc/13/86/11/1075138611.db2.gz SLOMWRQJJHVVME-CHWSQXEVSA-N 0 3 323.393 2.271 20 5 DEBDHN CC[C@H](C)C[C@@H](CO)NCc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001560899283 1075147613 /nfs/dbraw/zinc/14/76/13/1075147613.db2.gz OGMBUPMFSNLXLT-JQWIXIFHSA-N 0 3 312.366 2.196 20 5 DEBDHN CC(C)[C@@H](C)[N@H+](C)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589436706 1076489025 /nfs/dbraw/zinc/48/90/25/1076489025.db2.gz GVCJPVAGQUPXTO-SNVBAGLBSA-N 0 3 304.354 2.251 20 5 DEBDHN CC(C)[C@@H](C)[N@@H+](C)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589436706 1076489029 /nfs/dbraw/zinc/48/90/29/1076489029.db2.gz GVCJPVAGQUPXTO-SNVBAGLBSA-N 0 3 304.354 2.251 20 5 DEBDHN CC(C)[C@@H](C)[N@H+](C)Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589436706 1076489030 /nfs/dbraw/zinc/48/90/30/1076489030.db2.gz GVCJPVAGQUPXTO-SNVBAGLBSA-N 0 3 304.354 2.251 20 5 DEBDHN CC(C)[C@@H](C)[N@@H+](C)Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589436706 1076489032 /nfs/dbraw/zinc/48/90/32/1076489032.db2.gz GVCJPVAGQUPXTO-SNVBAGLBSA-N 0 3 304.354 2.251 20 5 DEBDHN C[C@H]1CCC[C@@H]1[NH2+]Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590247276 1076598505 /nfs/dbraw/zinc/59/85/05/1076598505.db2.gz JGFPFMKVBZZKHV-CABZTGNLSA-N 0 3 302.338 2.053 20 5 DEBDHN C[C@H]1CCC[C@@H]1[NH2+]Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590247276 1076598507 /nfs/dbraw/zinc/59/85/07/1076598507.db2.gz JGFPFMKVBZZKHV-CABZTGNLSA-N 0 3 302.338 2.053 20 5 DEBDHN CCC1CC[NH+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1 ZINC001590514898 1076646005 /nfs/dbraw/zinc/64/60/05/1076646005.db2.gz PGCWQTKIVBYNPL-UHFFFAOYSA-N 0 3 316.365 2.397 20 5 DEBDHN C[C@H]1CCC[N@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001591773093 1076782101 /nfs/dbraw/zinc/78/21/01/1076782101.db2.gz ZNRKAXABFUDPHA-JTQLQIEISA-N 0 3 302.338 2.007 20 5 DEBDHN C[C@H]1CCC[N@@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001591773093 1076782104 /nfs/dbraw/zinc/78/21/04/1076782104.db2.gz ZNRKAXABFUDPHA-JTQLQIEISA-N 0 3 302.338 2.007 20 5 DEBDHN CC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])CC1CCC1 ZINC001609225831 1077807881 /nfs/dbraw/zinc/80/78/81/1077807881.db2.gz XFHVCYJJRSAVAS-UHFFFAOYSA-N 0 3 316.365 2.397 20 5 DEBDHN CC[N@H+](Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])CC1CCC1 ZINC001609225831 1077807886 /nfs/dbraw/zinc/80/78/86/1077807886.db2.gz XFHVCYJJRSAVAS-UHFFFAOYSA-N 0 3 316.365 2.397 20 5 DEBDHN CCN1C[C@H](NC(=O)c2ccc(NC)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC001652599437 1079886441 /nfs/dbraw/zinc/88/64/41/1079886441.db2.gz JCEYOBFYKYLSHA-AWEZNQCLSA-N 0 3 320.393 2.097 20 5 DEBDHN COc1c(O)ccc(CN[C@@H](CO)CC2CCCC2)c1[N+](=O)[O-] ZINC001657905360 1080190086 /nfs/dbraw/zinc/19/00/86/1080190086.db2.gz MFVYSNRMUWURTI-CYBMUJFWSA-N 0 3 324.377 2.340 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001657984444 1080192788 /nfs/dbraw/zinc/19/27/88/1080192788.db2.gz DRSNRYLXHWSNIE-SNVBAGLBSA-N 0 3 319.321 2.359 20 5 DEBDHN O=[N+]([O-])c1ccc(CNC[C@H](O)COCc2ccccc2)cc1 ZINC000077221261 1080442479 /nfs/dbraw/zinc/44/24/79/1080442479.db2.gz FNNBNKNZAKTZPV-KRWDZBQOSA-N 0 3 316.357 2.262 20 5 DEBDHN O=C(C=C1CCC1)NC/C=C/CNCc1ccc([N+](=O)[O-])cc1 ZINC001268527406 1080720630 /nfs/dbraw/zinc/72/06/30/1080720630.db2.gz GKBSOTCHHZTFGS-OWOJBTEDSA-N 0 3 315.373 2.467 20 5 DEBDHN CO[C@H]1CC[C@@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC001320670538 1140892680 /nfs/dbraw/zinc/89/26/80/1140892680.db2.gz ZHKQBLFXAWWODS-NEPJUHHUSA-N 0 3 308.334 2.023 20 5 DEBDHN COC(=O)[C@H]1CCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1OC ZINC001323365903 1141846638 /nfs/dbraw/zinc/84/66/38/1141846638.db2.gz LYSAYVUQCRPGMY-STQMWFEESA-N 0 3 308.334 2.035 20 5 DEBDHN Cn1cc2c(n1)CCC[C@@H]2NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001336704824 1142538470 /nfs/dbraw/zinc/53/84/70/1142538470.db2.gz XCOPWPMTQZAXLX-GOEBONIOSA-N 0 3 316.361 2.029 20 5 DEBDHN CN(C)[C@H](CNc1cc(N)c([N+](=O)[O-])cn1)c1cccc(F)c1 ZINC001339508923 1143045558 /nfs/dbraw/zinc/04/55/58/1143045558.db2.gz GDYKTFRAILBDMR-CYBMUJFWSA-N 0 3 319.340 2.426 20 5 DEBDHN CN(C)[C@@H](CNc1cc(N)c([N+](=O)[O-])cn1)c1cccc(F)c1 ZINC001339508924 1143045731 /nfs/dbraw/zinc/04/57/31/1143045731.db2.gz GDYKTFRAILBDMR-ZDUSSCGKSA-N 0 3 319.340 2.426 20 5 DEBDHN Cc1cc(CN)nn1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254465997 1143129612 /nfs/dbraw/zinc/12/96/12/1143129612.db2.gz UGJILMFANLBHOU-UHFFFAOYSA-N 0 3 315.377 2.400 20 5 DEBDHN O=[N+]([O-])c1ccc(N2CCC(N3CCOC4(CC4)C3)CC2)cc1 ZINC001254481507 1143135488 /nfs/dbraw/zinc/13/54/88/1143135488.db2.gz DDXMENKLEKNQML-UHFFFAOYSA-N 0 3 317.389 2.428 20 5 DEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])n1c(=N)sc2c1CCNC2 ZINC001254559837 1143249116 /nfs/dbraw/zinc/24/91/16/1143249116.db2.gz NMNGRBRYVJQISA-SNVBAGLBSA-N 0 3 318.402 2.387 20 5 DEBDHN NCc1ccc2c(n1)N([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)CCC2 ZINC001254579664 1143260164 /nfs/dbraw/zinc/26/01/64/1143260164.db2.gz UXXDDAHCHWHADT-QGZVFWFLSA-N 0 3 324.384 2.369 20 5 DEBDHN CCOc1nccc(CN[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)n1 ZINC001254586257 1143266590 /nfs/dbraw/zinc/26/65/90/1143266590.db2.gz JFPIBPDFQBQQSY-CQSZACIVSA-N 0 3 314.345 2.041 20 5 DEBDHN C[C@@H](NC(=O)NC[C@@H]1CCCCN1C)c1ccc([N+](=O)[O-])cc1 ZINC001340848590 1143465259 /nfs/dbraw/zinc/46/52/59/1143465259.db2.gz QAPWUGUNZOTGNG-DOMZBBRYSA-N 0 3 320.393 2.439 20 5 DEBDHN CCc1ccc(C(=O)N2[C@H](C)CN[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC001341027421 1143526305 /nfs/dbraw/zinc/52/63/05/1143526305.db2.gz IHXNWNZZZFTETF-UTUOFQBUSA-N 0 3 305.378 2.368 20 5 DEBDHN CC[C@H]1CN(CC)CCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001261263653 1144229206 /nfs/dbraw/zinc/22/92/06/1144229206.db2.gz OWOUJQDAVASZIY-HOCLYGCPSA-N 0 3 307.394 2.044 20 5 DEBDHN C[C@@H](C(=O)N[C@@H]1CN(C)CC1(C)C)c1ccc([N+](=O)[O-])cc1F ZINC001303988585 1147341112 /nfs/dbraw/zinc/34/11/12/1147341112.db2.gz IUIVONNRIWJWLH-QMTHXVAHSA-N 0 3 323.368 2.294 20 5 DEBDHN CCN1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(C)c2)C(C)(C)C1 ZINC001304041684 1147342726 /nfs/dbraw/zinc/34/27/26/1147342726.db2.gz REMBMJWKWDMGJW-CQSZACIVSA-N 0 3 305.378 2.363 20 5 DEBDHN COc1cc(CNCCC[N@H+](C)C(C)C)c([N+](=O)[O-])cc1[O-] ZINC001308195722 1147453489 /nfs/dbraw/zinc/45/34/89/1147453489.db2.gz VNPFXMDZTUABLW-UHFFFAOYSA-N 0 3 311.382 2.129 20 5 DEBDHN COc1cc(CNCCC[N@@H+](C)C(C)C)c([N+](=O)[O-])cc1[O-] ZINC001308195722 1147453492 /nfs/dbraw/zinc/45/34/92/1147453492.db2.gz VNPFXMDZTUABLW-UHFFFAOYSA-N 0 3 311.382 2.129 20 5 DEBDHN COc1cc(C[NH2+]CC2(C3(O)CCC3)CC2)c([N+](=O)[O-])cc1[O-] ZINC001308535032 1147478590 /nfs/dbraw/zinc/47/85/90/1147478590.db2.gz BNAUMDJRDLHDSM-UHFFFAOYSA-N 0 3 322.361 2.094 20 5 DEBDHN C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCN1C ZINC000088055796 185237939 /nfs/dbraw/zinc/23/79/39/185237939.db2.gz RTIHVVBDNFMLDE-ZJUUUORDSA-N 0 3 311.769 2.461 20 5 DEBDHN C[C@H]1C[C@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCN1C ZINC000088055965 185238159 /nfs/dbraw/zinc/23/81/59/185238159.db2.gz IARJJZNKGNJMRE-GXSJLCMTSA-N 0 3 311.769 2.461 20 5 DEBDHN Cc1c(CN(C)[C@@H](C)CN2CCOCC2)cccc1[N+](=O)[O-] ZINC000279653770 215034363 /nfs/dbraw/zinc/03/43/63/215034363.db2.gz BUAZCMNOZATFHL-ZDUSSCGKSA-N 0 3 307.394 2.056 20 5 DEBDHN C[C@H]1[C@H](N2CCCC2)CCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000287167778 219355782 /nfs/dbraw/zinc/35/57/82/219355782.db2.gz OBAMLUMPDUZKGC-CMPLNLGQSA-N 0 3 309.391 2.355 20 5 DEBDHN C[C@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCOCC1 ZINC000177902054 186201505 /nfs/dbraw/zinc/20/15/05/186201505.db2.gz ARENPUNCDBKLAN-NSHDSACASA-N 0 3 322.361 2.366 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(C(=O)N(C)CC2(N(C)C)CCC2)c1 ZINC000188021110 186245149 /nfs/dbraw/zinc/24/51/49/186245149.db2.gz UVYUNUPPCUYMRF-UHFFFAOYSA-N 0 3 321.377 2.160 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NCCN2CCC[C@@H](C)C2)c1 ZINC000173101084 198184999 /nfs/dbraw/zinc/18/49/99/198184999.db2.gz MAUUJQAHIMWZMR-CYBMUJFWSA-N 0 3 305.378 2.365 20 5 DEBDHN CC[C@@H](CNc1ccc(C(=O)NC)cc1[N+](=O)[O-])N1CCCC1 ZINC000053561140 354438896 /nfs/dbraw/zinc/43/88/96/354438896.db2.gz CJCLTJDAUXXQQJ-ZDUSSCGKSA-N 0 3 320.393 2.241 20 5 DEBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000055401006 354496827 /nfs/dbraw/zinc/49/68/27/354496827.db2.gz HTCANWJGSDNJLE-ZIAGYGMSSA-N 0 3 319.405 2.374 20 5 DEBDHN C[C@@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])N(C)C1CC1 ZINC000057717906 354578524 /nfs/dbraw/zinc/57/85/24/354578524.db2.gz MHYLYPBUYHEYRG-VIFPVBQESA-N 0 3 311.769 2.461 20 5 DEBDHN C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)N1CCC(C)CC1 ZINC000060156722 354608122 /nfs/dbraw/zinc/60/81/22/354608122.db2.gz GKQLSCUMLNQXMY-CYBMUJFWSA-N 0 3 305.378 2.445 20 5 DEBDHN CCN1CCN(C[C@H](C)CNc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000060380190 354612202 /nfs/dbraw/zinc/61/22/02/354612202.db2.gz UMHKHCPCCONTQI-CYBMUJFWSA-N 0 3 324.400 2.419 20 5 DEBDHN CCN1CCN(C[C@H](C)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000060380210 354612393 /nfs/dbraw/zinc/61/23/93/354612393.db2.gz PDQQIGAVAAQTAO-CQSZACIVSA-N 0 3 306.410 2.280 20 5 DEBDHN CC[C@H](C)N(CC)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000595593108 358494763 /nfs/dbraw/zinc/49/47/63/358494763.db2.gz NSSXWMZDOORGJL-JTQLQIEISA-N 0 3 323.349 2.382 20 5 DEBDHN Cc1cc(N2CCC(CN3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000079929512 355337384 /nfs/dbraw/zinc/33/73/84/355337384.db2.gz BIRMIDHSGFDBOT-UHFFFAOYSA-N 0 3 319.405 2.452 20 5 DEBDHN C[C@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C1CCC1 ZINC000157621298 355955899 /nfs/dbraw/zinc/95/58/99/355955899.db2.gz JLGVCQGNEQDHRF-XHDPSFHLSA-N 0 3 303.362 2.478 20 5 DEBDHN CC[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000182298150 356119561 /nfs/dbraw/zinc/11/95/61/356119561.db2.gz FFYFBTXLURBYSX-SMDDNHRTSA-N 0 3 307.350 2.081 20 5 DEBDHN C[C@H](C(=O)NCCN1CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000185002969 356200532 /nfs/dbraw/zinc/20/05/32/356200532.db2.gz IUGWTLDSGBAQQF-LBPRGKRZSA-N 0 3 323.368 2.440 20 5 DEBDHN Cc1cc(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n[nH]1 ZINC000618569257 363530755 /nfs/dbraw/zinc/53/07/55/363530755.db2.gz ZYUUCSGRANVLHV-OLZOCXBDSA-N 0 3 304.354 2.096 20 5 DEBDHN Cc1cc(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)[nH]n1 ZINC000618569257 363530761 /nfs/dbraw/zinc/53/07/61/363530761.db2.gz ZYUUCSGRANVLHV-OLZOCXBDSA-N 0 3 304.354 2.096 20 5 DEBDHN O=[N+]([O-])c1ccc(CN[C@H]([C@H]2CCCO2)C2(CO)CCC2)cc1 ZINC000589521058 357477137 /nfs/dbraw/zinc/47/71/37/357477137.db2.gz AUXFUZBGIQKBPB-HZPDHXFCSA-N 0 3 320.389 2.395 20 5 DEBDHN C[C@@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)CCN(C2CC2)C1 ZINC000590703963 357587701 /nfs/dbraw/zinc/58/77/01/357587701.db2.gz PLQJADMWHTXKJI-LBPRGKRZSA-N 0 3 316.405 2.483 20 5 DEBDHN CN(C[C@@H]1CCCN1C)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000591464241 357726969 /nfs/dbraw/zinc/72/69/69/357726969.db2.gz XSAPCPDABHCYKD-LBPRGKRZSA-N 0 3 301.350 2.068 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000591529550 357733137 /nfs/dbraw/zinc/73/31/37/357733137.db2.gz OOXRXCAFGBXVLH-CQSZACIVSA-N 0 3 317.389 2.426 20 5 DEBDHN CCOc1ccc([C@@H](C)NC[C@@H]2C[C@H](F)CN2)cc1[N+](=O)[O-] ZINC000591581820 357739540 /nfs/dbraw/zinc/73/95/40/357739540.db2.gz WYDYISMVBXYCAR-WXHSDQCUSA-N 0 3 311.357 2.344 20 5 DEBDHN CCCN(C(=O)c1ccc([N+](=O)[O-])c(C)c1)[C@H]1CCN(C)C1 ZINC000592833343 357954107 /nfs/dbraw/zinc/95/41/07/357954107.db2.gz YWUDCWBUSKKBLZ-AWEZNQCLSA-N 0 3 305.378 2.460 20 5 DEBDHN C[C@H](NC[C@H]1COC2(CCOCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000179988067 199103392 /nfs/dbraw/zinc/10/33/92/199103392.db2.gz ZILRSWASMRHNBU-WFASDCNBSA-N 0 3 322.361 2.168 20 5 DEBDHN CCN1C[C@@H](CNCc2ccc([N+](=O)[O-])cc2Cl)CC1=O ZINC000593684721 358123820 /nfs/dbraw/zinc/12/38/20/358123820.db2.gz AAXTULHTPKFLOJ-SNVBAGLBSA-N 0 3 311.769 2.206 20 5 DEBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCC[C@]1(O)CCCOC1 ZINC000594507411 358286278 /nfs/dbraw/zinc/28/62/78/358286278.db2.gz MDSGSHIQIJHDAJ-GOEBONIOSA-N 0 3 306.362 2.103 20 5 DEBDHN COC1(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])CCOCC1 ZINC000594503466 358284963 /nfs/dbraw/zinc/28/49/63/358284963.db2.gz XFUVOXIBLIDYOO-AWEZNQCLSA-N 0 3 306.362 2.367 20 5 DEBDHN O=[N+]([O-])c1cnn(CCN2CCC([C@H]3CCCCO3)CC2)c1 ZINC000595781743 358548435 /nfs/dbraw/zinc/54/84/35/358548435.db2.gz GNSVYONVHWMYIR-OAHLLOKOSA-N 0 3 308.382 2.072 20 5 DEBDHN COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000595898596 358576068 /nfs/dbraw/zinc/57/60/68/358576068.db2.gz KAQDGHPIJQZWRA-PAPYEOQZSA-N 0 3 304.346 2.272 20 5 DEBDHN CCN1CCCN(c2nc3sccn3c2[N+](=O)[O-])[C@H](C)C1 ZINC000596269580 358656267 /nfs/dbraw/zinc/65/62/67/358656267.db2.gz UJONKEQVHSPAJR-SNVBAGLBSA-N 0 3 309.395 2.225 20 5 DEBDHN COc1c(C(=O)N[C@@H]2CCN(C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000597926039 359044264 /nfs/dbraw/zinc/04/42/64/359044264.db2.gz ZUKNJFKWYMRYPX-LLVKDONJSA-N 0 3 321.377 2.206 20 5 DEBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000598263099 359141174 /nfs/dbraw/zinc/14/11/74/359141174.db2.gz PMSUASIEDNUKON-AWEZNQCLSA-N 0 3 319.405 2.374 20 5 DEBDHN C[C@H](CN1CCC(C)CC1)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000598265905 359141902 /nfs/dbraw/zinc/14/19/02/359141902.db2.gz VTKWNOGRKCBFLW-CQSZACIVSA-N 0 3 319.405 2.374 20 5 DEBDHN CCCN1CC[C@H](NC(=O)c2ccc(OCC)c([N+](=O)[O-])c2)C1 ZINC000598342026 359169335 /nfs/dbraw/zinc/16/93/35/359169335.db2.gz BIGVIBKJYCYETF-ZDUSSCGKSA-N 0 3 321.377 2.208 20 5 DEBDHN CC(C)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CCN1 ZINC000598578006 359247676 /nfs/dbraw/zinc/24/76/76/359247676.db2.gz YHIUSLAPEZVTLL-ZDUSSCGKSA-N 0 3 311.769 2.318 20 5 DEBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@H]2C[C@@H](O)C2)c1 ZINC000599006088 359381264 /nfs/dbraw/zinc/38/12/64/359381264.db2.gz CKEDIKANYQTQHB-DKTWLAJQSA-N 0 3 302.277 2.057 20 5 DEBDHN CCN(C(=O)c1ccc([N+](=O)[O-])cc1F)C1CCN(C)CC1 ZINC000599986488 359629452 /nfs/dbraw/zinc/62/94/52/359629452.db2.gz VIWXPJWQWQCZAW-UHFFFAOYSA-N 0 3 309.341 2.290 20 5 DEBDHN CCN(C(=O)c1ccc([N+](=O)[O-])c(C)c1)C1CCN(C)CC1 ZINC000599985270 359629666 /nfs/dbraw/zinc/62/96/66/359629666.db2.gz BHTWHBLKROXFQF-UHFFFAOYSA-N 0 3 305.378 2.460 20 5 DEBDHN CN(C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCC(=O)N(C)C1 ZINC000600179211 359677517 /nfs/dbraw/zinc/67/75/17/359677517.db2.gz VQMSVBZDSNAVNX-HZRUHFOJSA-N 0 3 303.362 2.161 20 5 DEBDHN O=C(c1c(F)cccc1[N+](=O)[O-])N1CC[C@H](N2CCCC2)C1 ZINC000601030980 359900466 /nfs/dbraw/zinc/90/04/66/359900466.db2.gz BUNOGRUYRCAQDU-NSHDSACASA-N 0 3 307.325 2.044 20 5 DEBDHN CCN1CCCC[C@H]1CNc1nc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000281167973 216126305 /nfs/dbraw/zinc/12/63/05/216126305.db2.gz MCMSRESCKVCVRP-NSHDSACASA-N 0 3 322.365 2.063 20 5 DEBDHN O=[N+]([O-])c1ccc2oc(CN[C@H]3CCN(C4CC4)C3)nc2c1 ZINC000602543389 360424781 /nfs/dbraw/zinc/42/47/81/360424781.db2.gz CNJSXHBQRNMIDI-JTQLQIEISA-N 0 3 302.334 2.062 20 5 DEBDHN CC[C@@]1(O)CCCN(CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000602982250 360653705 /nfs/dbraw/zinc/65/37/05/360653705.db2.gz PTALYHDMMRKNDG-MRXNPFEDSA-N 0 3 324.377 2.219 20 5 DEBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CSCCN2)cc1OC(F)F ZINC000603418968 360826147 /nfs/dbraw/zinc/82/61/47/360826147.db2.gz JXSCGNABDUKHTE-SECBINFHSA-N 0 3 319.333 2.313 20 5 DEBDHN COc1cc([N+](=O)[O-])cn(C[C@@H]2CCCCN2C(C)C)c1=O ZINC000603360246 360805838 /nfs/dbraw/zinc/80/58/38/360805838.db2.gz YFTIXPILIRUGCZ-LBPRGKRZSA-N 0 3 309.366 2.028 20 5 DEBDHN C[C@](CO)(NCCOc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000609483828 361313988 /nfs/dbraw/zinc/31/39/88/361313988.db2.gz JNENERLMVSFKSW-QGZVFWFLSA-N 0 3 316.357 2.471 20 5 DEBDHN CCC[C@@](C)(O)CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000609571482 361321434 /nfs/dbraw/zinc/32/14/34/361321434.db2.gz JONPKOFKVJQISZ-OAHLLOKOSA-N 0 3 310.350 2.007 20 5 DEBDHN CCOc1ccc(C(=O)N(C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000193388494 201042062 /nfs/dbraw/zinc/04/20/62/201042062.db2.gz UEAZTGFFNLPYTO-UHFFFAOYSA-N 0 3 321.377 2.160 20 5 DEBDHN CC[C@@H](CN1CCCC1)NC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000610922970 361492538 /nfs/dbraw/zinc/49/25/38/361492538.db2.gz SAUIHMLNNHBBKE-NSHDSACASA-N 0 3 323.397 2.046 20 5 DEBDHN CC[C@H](CN1CCCC1)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000610720111 361452014 /nfs/dbraw/zinc/45/20/14/361452014.db2.gz WBHSHJHHVULYHW-CQSZACIVSA-N 0 3 320.393 2.268 20 5 DEBDHN CC(C)N1CCN([C@H]2CCN(c3sccc3[N+](=O)[O-])C2)CC1 ZINC000611413687 361595746 /nfs/dbraw/zinc/59/57/46/361595746.db2.gz MJFPSUINPFJFFP-ZDUSSCGKSA-N 0 3 324.450 2.261 20 5 DEBDHN COC(=O)C1(CNCc2ccc(OC)c([N+](=O)[O-])c2)CCCC1 ZINC000619654316 363847935 /nfs/dbraw/zinc/84/79/35/363847935.db2.gz GBKSHCIAHBQIMV-UHFFFAOYSA-N 0 3 322.361 2.426 20 5 DEBDHN CCn1ccnc1[C@H]1OCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000275512818 212385102 /nfs/dbraw/zinc/38/51/02/212385102.db2.gz KJUHRCUDBPNRQN-GJZGRUSLSA-N 0 3 316.361 2.431 20 5 DEBDHN C[C@@H](CN(C)Cc1ccccc1)Nc1c([N+](=O)[O-])ncn1C ZINC000271753421 209183182 /nfs/dbraw/zinc/18/31/82/209183182.db2.gz CEZJEQDQQJKGBJ-LBPRGKRZSA-N 0 3 303.366 2.261 20 5 DEBDHN CCNC(=O)CCN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451549080 243093779 /nfs/dbraw/zinc/09/37/79/243093779.db2.gz OWJXWHDPUFRWKA-AWEZNQCLSA-N 0 3 305.378 2.300 20 5 DEBDHN O=[N+]([O-])c1cc(CN[C@@H]2CCC[C@@H]2CCO)c2c(c1)COCO2 ZINC000275026811 212081738 /nfs/dbraw/zinc/08/17/38/212081738.db2.gz AAPREWPDRSHZRI-IAQYHMDHSA-N 0 3 322.361 2.102 20 5 DEBDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000452761733 244585895 /nfs/dbraw/zinc/58/58/95/244585895.db2.gz COKLMDPYJHJRDY-LBPRGKRZSA-N 0 3 309.366 2.428 20 5 DEBDHN CCN1C[C@@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000453375627 245099244 /nfs/dbraw/zinc/09/92/44/245099244.db2.gz XIPAUCOIBVTQCT-WFASDCNBSA-N 0 3 303.362 2.183 20 5 DEBDHN CS[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)C[C@@H]1N1CCCC1 ZINC000274711424 211859825 /nfs/dbraw/zinc/85/98/25/211859825.db2.gz XZXRKDNSMPAJJY-QWHCGFSZSA-N 0 3 308.407 2.006 20 5 DEBDHN CCN1CCCC[C@@H]1C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000288442570 220144152 /nfs/dbraw/zinc/14/41/52/220144152.db2.gz SLKSGPPGESEVLZ-MRXNPFEDSA-N 0 3 319.405 2.470 20 5 DEBDHN CCN1CCC[C@@H]1CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000020553514 182230611 /nfs/dbraw/zinc/23/06/11/182230611.db2.gz AELBUWWJWVEGNZ-LLVKDONJSA-N 0 3 311.769 2.462 20 5 DEBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000492160388 249008851 /nfs/dbraw/zinc/00/88/51/249008851.db2.gz FPUZIEKVCODCHH-NHGOELCGSA-N 0 3 315.373 2.207 20 5 DEBDHN C[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000532276957 284672245 /nfs/dbraw/zinc/67/22/45/284672245.db2.gz CQNDYPSIIIFLOE-CYBMUJFWSA-N 0 3 319.405 2.473 20 5 DEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@H](c2ccccc2)C1 ZINC000159782656 197364358 /nfs/dbraw/zinc/36/43/58/197364358.db2.gz PXYJWALJKYXXBQ-HNNXBMFYSA-N 0 3 313.357 2.246 20 5 DEBDHN Cc1cc(C(=O)N[C@@H](C)CN2CCCCC2)c(N)c([N+](=O)[O-])c1 ZINC000104845685 194046082 /nfs/dbraw/zinc/04/60/82/194046082.db2.gz WDOYWOTZUDRONT-LBPRGKRZSA-N 0 3 320.393 2.090 20 5 DEBDHN O=[N+]([O-])c1cccc(CN[C@H]2CCCN(c3cccnn3)C2)c1 ZINC000105802051 194131300 /nfs/dbraw/zinc/13/13/00/194131300.db2.gz JABRGAQOHMBUSO-AWEZNQCLSA-N 0 3 313.361 2.143 20 5 DEBDHN COCCN1CC[C@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000268842926 207008712 /nfs/dbraw/zinc/00/87/12/207008712.db2.gz AXLBCRPEFYRKLA-KBPBESRZSA-N 0 3 307.394 2.275 20 5 DEBDHN Cc1c(CNC(=O)C23CCCN2CCC3)cccc1[N+](=O)[O-] ZINC000356006092 207393802 /nfs/dbraw/zinc/39/38/02/207393802.db2.gz HQUXDJZMPQUIHE-UHFFFAOYSA-N 0 3 303.362 2.148 20 5 DEBDHN COc1cc(NC[C@H]2CCCN(C)C2)c([N+](=O)[O-])cc1OC ZINC000301955030 533035250 /nfs/dbraw/zinc/03/52/50/533035250.db2.gz KNYFGLOJWHPARB-LLVKDONJSA-N 0 3 309.366 2.366 20 5 DEBDHN C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)C1=CCN(C)CC1 ZINC000272952098 210339069 /nfs/dbraw/zinc/33/90/69/210339069.db2.gz MCNLMFWXVKZZHA-NSHDSACASA-N 0 3 304.350 2.367 20 5 DEBDHN CSCC[C@@H](N)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000121821045 195355016 /nfs/dbraw/zinc/35/50/16/195355016.db2.gz MHACOWDETPZBHR-ZYHUDNBSSA-N 0 3 311.407 2.161 20 5 DEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@@H]1CCS(=O)(=O)[C@H]1C ZINC000353855413 533385049 /nfs/dbraw/zinc/38/50/49/533385049.db2.gz MMSFDBSECKPMOC-HSMZECECSA-N 0 3 324.402 2.163 20 5 DEBDHN C[C@@H]1C[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)CCN1C ZINC000331328142 533602376 /nfs/dbraw/zinc/60/23/76/533602376.db2.gz QNJUHYDQOZIAMK-OCCSQVGLSA-N 0 3 305.378 2.126 20 5 DEBDHN C[C@@H]1C[C@@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000330906720 533603177 /nfs/dbraw/zinc/60/31/77/533603177.db2.gz NFXUMJFEMXNCBJ-NEPJUHHUSA-N 0 3 323.418 2.286 20 5 DEBDHN C[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000355355175 133020912 /nfs/dbraw/zinc/02/09/12/133020912.db2.gz SMYKFEPGRLMMQI-AGIUHOORSA-N 0 3 321.377 2.327 20 5 DEBDHN CCO[C@@H]1COCC[C@@H]1N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563419760 292055696 /nfs/dbraw/zinc/05/56/96/292055696.db2.gz YWSADMUJIWLTMB-OFQRWUPVSA-N 0 3 306.362 2.366 20 5 DEBDHN O=[N+]([O-])c1cccc(OCCN2CCS[C@H]3COCC[C@H]32)c1 ZINC000247344166 145133980 /nfs/dbraw/zinc/13/39/80/145133980.db2.gz XSIPQBBVAMPTFV-CABCVRRESA-N 0 3 324.402 2.180 20 5 DEBDHN Cc1ccc([C@H](C)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000321505610 145376864 /nfs/dbraw/zinc/37/68/64/145376864.db2.gz BGSRVDBMRWURSV-NUEKZKHPSA-N 0 3 319.405 2.417 20 5 DEBDHN C[C@H]1CCN(C)CCN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000346759810 146138349 /nfs/dbraw/zinc/13/83/49/146138349.db2.gz IRLFIBFTRLCVII-JTQLQIEISA-N 0 3 310.329 2.292 20 5 DEBDHN Cc1c(CNC(=O)N2CCN(C)CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000359544190 147348069 /nfs/dbraw/zinc/34/80/69/147348069.db2.gz FHBBCOBESIHVGW-LBPRGKRZSA-N 0 3 320.393 2.139 20 5 DEBDHN O=[N+]([O-])c1ccccc1OCCN1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000374407847 148243490 /nfs/dbraw/zinc/24/34/90/148243490.db2.gz XLXTXXPUGKVCHD-ZIAGYGMSSA-N 0 3 306.362 2.332 20 5 DEBDHN CCCCN(C)CCNC(=O)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000112309470 401737865 /nfs/dbraw/zinc/73/78/65/401737865.db2.gz PFZXGYRGNDAKMJ-UHFFFAOYSA-N 0 3 323.393 2.455 20 5 DEBDHN CCCN(C)CC(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000352607420 404489265 /nfs/dbraw/zinc/48/92/65/404489265.db2.gz UGUWIPNSUBGYLO-UHFFFAOYSA-N 0 3 322.409 2.163 20 5 DEBDHN C[C@@H]1CCCN(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000131508858 401851772 /nfs/dbraw/zinc/85/17/72/401851772.db2.gz VLZJURYYNDZPIG-GFCCVEGCSA-N 0 3 323.368 2.125 20 5 DEBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000085395524 401915594 /nfs/dbraw/zinc/91/55/94/401915594.db2.gz FONLOPZDCFAQBT-WFASDCNBSA-N 0 3 320.393 2.076 20 5 DEBDHN CN(C)[C@H]1CCCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000136867376 401974957 /nfs/dbraw/zinc/97/49/57/401974957.db2.gz OTIXBZBCNTWDBA-JTQLQIEISA-N 0 3 311.769 2.414 20 5 DEBDHN C[C@@H](C(=O)NCc1ccccc1[N+](=O)[O-])N1[C@H](C)CC[C@H]1C ZINC000122329124 402073275 /nfs/dbraw/zinc/07/32/75/402073275.db2.gz RQXGMFBFHHSNEN-UPJWGTAASA-N 0 3 305.378 2.472 20 5 DEBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000055405576 402081824 /nfs/dbraw/zinc/08/18/24/402081824.db2.gz PDDUHQCFKXZUNE-NWDGAFQWSA-N 0 3 320.393 2.148 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])cc1CNCC1(OC)CCOCC1 ZINC000123098852 402109999 /nfs/dbraw/zinc/10/99/99/402109999.db2.gz ZPBVCPCHZLPRRR-UHFFFAOYSA-N 0 3 324.377 2.279 20 5 DEBDHN COc1ccc(OCCN2CC[C@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC000153461779 402146969 /nfs/dbraw/zinc/14/69/69/402146969.db2.gz LFDBPIKTRJNKJZ-INIZCTEOSA-N 0 3 322.361 2.095 20 5 DEBDHN O=[N+]([O-])c1ccc(OC2CCN(CCC3OCCO3)CC2)cc1 ZINC000124482682 402182053 /nfs/dbraw/zinc/18/20/53/402182053.db2.gz KYIJYDMWTQGFFQ-UHFFFAOYSA-N 0 3 322.361 2.201 20 5 DEBDHN Cc1cc(NC(=O)NC[C@@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000153684257 402163326 /nfs/dbraw/zinc/16/33/26/402163326.db2.gz XLORNWGPWTURPG-LBPRGKRZSA-N 0 3 306.366 2.367 20 5 DEBDHN CN(CCC(=O)OC(C)(C)C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154448660 402213444 /nfs/dbraw/zinc/21/34/44/402213444.db2.gz KIJBMLOWFPOOMA-CQSZACIVSA-N 0 3 324.377 2.292 20 5 DEBDHN C[C@H](CC[S@@](C)=O)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000125476084 402234973 /nfs/dbraw/zinc/23/49/73/402234973.db2.gz JGZOFGHLNHVCMF-HOGDKLEQSA-N 0 3 304.799 2.495 20 5 DEBDHN CN1CCC[C@@H](CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000108351494 402251382 /nfs/dbraw/zinc/25/13/82/402251382.db2.gz GTWWZJCQIICXRX-NSHDSACASA-N 0 3 318.377 2.233 20 5 DEBDHN CC[C@H](C)[C@H](N)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000155435574 402257078 /nfs/dbraw/zinc/25/70/78/402257078.db2.gz YIDZRJGZVHYCAX-WFASDCNBSA-N 0 3 307.394 2.407 20 5 DEBDHN Cc1nc2n(n1)C[C@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1C)CC2 ZINC000160437862 402345239 /nfs/dbraw/zinc/34/52/39/402345239.db2.gz WDTVBIGSKGKCRV-DGCLKSJQSA-N 0 3 315.377 2.469 20 5 DEBDHN COCC1=CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000185884938 402385648 /nfs/dbraw/zinc/38/56/48/402385648.db2.gz PJCGSLPKEMRUPJ-UHFFFAOYSA-N 0 3 319.361 2.202 20 5 DEBDHN C[C@@H](C(=O)N1CCC[C@H](N(C)C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185171545 402330694 /nfs/dbraw/zinc/33/06/94/402330694.db2.gz BAPIUQCCNGFAQV-YPMHNXCESA-N 0 3 323.368 2.390 20 5 DEBDHN Cc1ccc([C@H](C)NC(=O)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000177834649 402440011 /nfs/dbraw/zinc/44/00/11/402440011.db2.gz GYVJTMHAXSDNFJ-LBPRGKRZSA-N 0 3 305.378 2.422 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(C)(O)CC1 ZINC000177320828 402391120 /nfs/dbraw/zinc/39/11/20/402391120.db2.gz JODMFSGVBHBBAJ-UHFFFAOYSA-N 0 3 321.377 2.079 20 5 DEBDHN C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)N1CCC(C)CC1 ZINC000178180358 402468199 /nfs/dbraw/zinc/46/81/99/402468199.db2.gz WRAGYOSVVOWOMI-GFCCVEGCSA-N 0 3 320.393 2.027 20 5 DEBDHN CCc1ccc(C(=O)NCCN(CC)C2CC2)cc1[N+](=O)[O-] ZINC000174183334 402730600 /nfs/dbraw/zinc/73/06/00/402730600.db2.gz QGJDHNVNBBVYOI-UHFFFAOYSA-N 0 3 305.378 2.371 20 5 DEBDHN COCCN(C)CCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192807159 402751140 /nfs/dbraw/zinc/75/11/40/402751140.db2.gz LKOBULITXWNTBQ-INIZCTEOSA-N 0 3 307.394 2.140 20 5 DEBDHN CC(C)CCOC1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174821958 402759136 /nfs/dbraw/zinc/75/91/36/402759136.db2.gz HKXXSWVPSFRGCY-UHFFFAOYSA-N 0 3 310.398 2.318 20 5 DEBDHN Cc1c([C@@H](C)NC[C@@H](O)c2cccc([N+](=O)[O-])c2)cnn1C ZINC000183470363 402770430 /nfs/dbraw/zinc/77/04/30/402770430.db2.gz HPVPMQUEFHMGFI-MEBBXXQBSA-N 0 3 304.350 2.021 20 5 DEBDHN O=C(NC[C@@H]1CCN(C2CC2)C1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175733922 402827942 /nfs/dbraw/zinc/82/79/42/402827942.db2.gz ZIHAILKAUWLWBX-JTQLQIEISA-N 0 3 323.780 2.462 20 5 DEBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183630707 402783915 /nfs/dbraw/zinc/78/39/15/402783915.db2.gz PYJLVWFERBPLAJ-NWDGAFQWSA-N 0 3 321.381 2.232 20 5 DEBDHN COC[C@@H](NC/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000278787100 402871093 /nfs/dbraw/zinc/87/10/93/402871093.db2.gz ZWLUTZUMFYRDGO-LFECJLGQSA-N 0 3 306.362 2.392 20 5 DEBDHN CC[C@@H](NC[C@H](O)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000271442530 402871389 /nfs/dbraw/zinc/87/13/89/402871389.db2.gz DOBKUCOAOWYOJO-CVEARBPZSA-N 0 3 308.378 2.423 20 5 DEBDHN COc1cc(C[NH2+]C[C@@H]2CCO[C@H](C)C2)c([N+](=O)[O-])cc1[O-] ZINC000271516926 402878240 /nfs/dbraw/zinc/87/82/40/402878240.db2.gz PXLRHHHMNSZANC-GHMZBOCLSA-N 0 3 310.350 2.214 20 5 DEBDHN CN(CCOc1ccccc1[N+](=O)[O-])C[C@H]1CCCC[C@@H]1O ZINC000272594118 402957451 /nfs/dbraw/zinc/95/74/51/402957451.db2.gz UFOPQMYZVIXPLF-HIFRSBDPSA-N 0 3 308.378 2.457 20 5 DEBDHN COc1ccc(NC(=O)CN[C@H]2CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000279313391 402929834 /nfs/dbraw/zinc/92/98/34/402929834.db2.gz ROVGVORIERYXHE-JQWIXIFHSA-N 0 3 307.350 2.320 20 5 DEBDHN Cc1c(NC(=O)[C@H](C)N[C@@H](C)[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000266280030 402968104 /nfs/dbraw/zinc/96/81/04/402968104.db2.gz FXTAROUUSSNDFB-RWMBFGLXSA-N 0 3 321.377 2.245 20 5 DEBDHN CO[C@]1(C)CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000280510789 403007896 /nfs/dbraw/zinc/00/78/96/403007896.db2.gz NMYQUYVEZWOKGX-MRXNPFEDSA-N 0 3 321.377 2.085 20 5 DEBDHN CN(C)[C@@H](CNc1ncc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000273229095 402985050 /nfs/dbraw/zinc/98/50/50/402985050.db2.gz WQEFNDGAUPLRPP-ZDUSSCGKSA-N 0 3 305.313 2.239 20 5 DEBDHN C[C@H]1CN(C)CC[C@@H]1N(C)c1nc2sccn2c1[N+](=O)[O-] ZINC000267740369 403040508 /nfs/dbraw/zinc/04/05/08/403040508.db2.gz VCYPQWJRNWXEFL-UWVGGRQHSA-N 0 3 309.395 2.080 20 5 DEBDHN COc1ccc(C(=O)N[C@@H]2CCCN(C(C)C)C2)cc1[N+](=O)[O-] ZINC000274423049 403054210 /nfs/dbraw/zinc/05/42/10/403054210.db2.gz DQRNATIZQSCWSR-CYBMUJFWSA-N 0 3 321.377 2.206 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000268207625 403061742 /nfs/dbraw/zinc/06/17/42/403061742.db2.gz KBHIWVMPCOEELX-XHDPSFHLSA-N 0 3 303.362 2.116 20 5 DEBDHN C[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)[C@@H](c1ccccc1)N(C)C ZINC000274710827 403080789 /nfs/dbraw/zinc/08/07/89/403080789.db2.gz QFBSVOVPYRYSEV-NHYWBVRUSA-N 0 3 316.361 2.344 20 5 DEBDHN Cn1cc([C@H]2OCCC[C@@H]2NCc2cccc([N+](=O)[O-])c2)cn1 ZINC000275711127 403117522 /nfs/dbraw/zinc/11/75/22/403117522.db2.gz YFWUGYOPBXPVBB-JKSUJKDBSA-N 0 3 316.361 2.338 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](CC(C)C)N(C)C ZINC000277620448 403237506 /nfs/dbraw/zinc/23/75/06/403237506.db2.gz QXQVFISQXYONSR-ZDUSSCGKSA-N 0 3 323.393 2.310 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC2CCN(CC)CC2)c1 ZINC000283533058 403204108 /nfs/dbraw/zinc/20/41/08/403204108.db2.gz RNVUHAUGPAJGLH-UHFFFAOYSA-N 0 3 321.377 2.208 20 5 DEBDHN CCOCC[C@H](O)CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000277585525 403233886 /nfs/dbraw/zinc/23/38/86/403233886.db2.gz CRDGCQSSQJEYBE-INIZCTEOSA-N 0 3 308.378 2.347 20 5 DEBDHN C[C@H](NCC[S@@](=O)C(C)(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284313396 403262391 /nfs/dbraw/zinc/26/23/91/403262391.db2.gz ZIYSPGQMOXYHHX-CHNSCGDPSA-N 0 3 313.423 2.375 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000277979051 403276502 /nfs/dbraw/zinc/27/65/02/403276502.db2.gz MEOBSJKIOGLFIN-ZDUSSCGKSA-N 0 3 305.378 2.317 20 5 DEBDHN C[NH+](C)Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1F ZINC000342830791 403364478 /nfs/dbraw/zinc/36/44/78/403364478.db2.gz UFGAJULMHVJWBF-UHFFFAOYSA-N 0 3 320.324 2.054 20 5 DEBDHN CN(CCN1CCCC1)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000345434395 403332679 /nfs/dbraw/zinc/33/26/79/403332679.db2.gz HIZCPNCFNCXGGB-UHFFFAOYSA-N 0 3 311.769 2.416 20 5 DEBDHN CN1CCC[C@]2(CCN(c3c4c(ccc3[N+](=O)[O-])NCC4)C2)C1 ZINC000292675445 403374046 /nfs/dbraw/zinc/37/40/46/403374046.db2.gz DIGFGLTVHSALJI-KRWDZBQOSA-N 0 3 316.405 2.485 20 5 DEBDHN CN(C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C1CCN(C)CC1 ZINC000342871120 403379301 /nfs/dbraw/zinc/37/93/01/403379301.db2.gz CGTDIANPSNNNCD-UHFFFAOYSA-N 0 3 316.361 2.242 20 5 DEBDHN CN1CCN(CCCNc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000286170188 403465252 /nfs/dbraw/zinc/46/52/52/403465252.db2.gz PLWKJNHOPRWPNB-UHFFFAOYSA-N 0 3 312.801 2.298 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000332036419 403466770 /nfs/dbraw/zinc/46/67/70/403466770.db2.gz WWTJMSVTYIPRLY-CJNGLKHVSA-N 0 3 317.389 2.378 20 5 DEBDHN CCN1C[C@@H](C)N(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1C ZINC000332233403 403523818 /nfs/dbraw/zinc/52/38/18/403523818.db2.gz MWZTZHXHSFERPQ-VXGBXAGGSA-N 0 3 317.393 2.386 20 5 DEBDHN CCCN(CCN1CCCC1)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000286444500 403528425 /nfs/dbraw/zinc/52/84/25/403528425.db2.gz SWIHNJSHMQVRRB-UHFFFAOYSA-N 0 3 320.393 2.006 20 5 DEBDHN C[C@@H](CN(C)C)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000287219281 403557476 /nfs/dbraw/zinc/55/74/76/403557476.db2.gz OLDXWMZWGHIQDD-QMMMGPOBSA-N 0 3 319.283 2.294 20 5 DEBDHN CN1CCC[C@@]2(CCN(C(=O)c3ccccc3[N+](=O)[O-])C2)C1 ZINC000293803062 403567490 /nfs/dbraw/zinc/56/74/90/403567490.db2.gz AEPVEADIPAIULM-MRXNPFEDSA-N 0 3 303.362 2.153 20 5 DEBDHN CCN1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1C(=O)NC ZINC000301557772 403647037 /nfs/dbraw/zinc/64/70/37/403647037.db2.gz SUCZQGFQESMISQ-CYBMUJFWSA-N 0 3 320.393 2.241 20 5 DEBDHN CN(C)CCn1cc(Nc2c(F)cc([N+](=O)[O-])cc2F)cn1 ZINC000301779019 403677598 /nfs/dbraw/zinc/67/75/98/403677598.db2.gz INAFJPJFIFPFLY-UHFFFAOYSA-N 0 3 311.292 2.375 20 5 DEBDHN CN(C(=O)C(C)(C)c1ccccc1[N+](=O)[O-])[C@H]1CCCN(C)C1 ZINC000340698564 403650961 /nfs/dbraw/zinc/65/09/61/403650961.db2.gz WRSNOZCZOVESIK-ZDUSSCGKSA-N 0 3 319.405 2.425 20 5 DEBDHN CCn1c(C)nc([N+](=O)[O-])c1N(CCN(C)C)Cc1ccco1 ZINC000288972444 403802552 /nfs/dbraw/zinc/80/25/52/403802552.db2.gz UQVFMZZMSSHZIM-UHFFFAOYSA-N 0 3 321.381 2.281 20 5 DEBDHN CSC1(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000347865235 403917472 /nfs/dbraw/zinc/91/74/72/403917472.db2.gz ZFCGUEDKZPDHBE-LLVKDONJSA-N 0 3 308.407 2.372 20 5 DEBDHN CCC1(CO)CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000305751057 403928247 /nfs/dbraw/zinc/92/82/47/403928247.db2.gz RPGCFAXESUDDPN-UHFFFAOYSA-N 0 3 308.378 2.458 20 5 DEBDHN CC(C)N1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000347978870 403990661 /nfs/dbraw/zinc/99/06/61/403990661.db2.gz LRWVULGSDZRNON-NSHDSACASA-N 0 3 309.341 2.337 20 5 DEBDHN C[C@@H]1[C@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CCCN1C ZINC000344235437 403998316 /nfs/dbraw/zinc/99/83/16/403998316.db2.gz LFEQYJMWFRRWOT-TZMCWYRMSA-N 0 3 320.393 2.219 20 5 DEBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](N2CCOCC2)[C@H]1C ZINC000351940089 404022001 /nfs/dbraw/zinc/02/20/01/404022001.db2.gz ZFRUNFFNFCGLLY-CPUCHLNUSA-N 0 3 319.405 2.451 20 5 DEBDHN CO[C@H]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000296014420 404052743 /nfs/dbraw/zinc/05/27/43/404052743.db2.gz MTGMPRMIFCGTBE-CABCVRRESA-N 0 3 308.378 2.375 20 5 DEBDHN COC1([C@H](C)NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCC1 ZINC000412020822 404059793 /nfs/dbraw/zinc/05/97/93/404059793.db2.gz KEXATWRNFFSUHP-LBPRGKRZSA-N 0 3 321.377 2.389 20 5 DEBDHN Cc1ccc(CN2CC[C@H](C(=O)N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000290313793 404120204 /nfs/dbraw/zinc/12/02/04/404120204.db2.gz CJKZLDBPDKKKMO-HNNXBMFYSA-N 0 3 317.389 2.348 20 5 DEBDHN C[C@H](NC[C@H](O)COCC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000296531183 404293078 /nfs/dbraw/zinc/29/30/78/404293078.db2.gz DDVJEWICJMRBBE-CABZTGNLSA-N 0 3 322.283 2.185 20 5 DEBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC[C@]1(O)CCOC1 ZINC000290888826 404352713 /nfs/dbraw/zinc/35/27/13/404352713.db2.gz MUFUWMIZYXOXSH-GFCCVEGCSA-N 0 3 321.160 2.143 20 5 DEBDHN CC1CCN(C[C@H](O)CNc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000342199472 404438597 /nfs/dbraw/zinc/43/85/97/404438597.db2.gz HYFKUGSHHDMMLS-GFCCVEGCSA-N 0 3 311.357 2.239 20 5 DEBDHN O=[N+]([O-])c1ccn(C2CCN(C[C@@H](O)c3ccccc3)CC2)n1 ZINC000365317703 404614766 /nfs/dbraw/zinc/61/47/66/404614766.db2.gz NBYBRTWAOFAZPF-OAHLLOKOSA-N 0 3 316.361 2.162 20 5 DEBDHN Cc1ccc(NC(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)cc1[N+](=O)[O-] ZINC000414662404 404703636 /nfs/dbraw/zinc/70/36/36/404703636.db2.gz RGHOVDHDVKTHSE-JQWIXIFHSA-N 0 3 322.365 2.138 20 5 DEBDHN CN(C)C1(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCC1 ZINC000353350542 404809820 /nfs/dbraw/zinc/80/98/20/404809820.db2.gz IDRREJITPPGHHG-UHFFFAOYSA-N 0 3 311.769 2.462 20 5 DEBDHN CNc1c(C(=O)NCCN2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000361138052 404939113 /nfs/dbraw/zinc/93/91/13/404939113.db2.gz BLLMPWQLGHDNHP-LBPRGKRZSA-N 0 3 320.393 2.098 20 5 DEBDHN CCO[C@@H]1CCC[C@H]1N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000452023518 405130487 /nfs/dbraw/zinc/13/04/87/405130487.db2.gz YAXSENUEJTYTPX-UXIGCNINSA-N 0 3 321.377 2.469 20 5 DEBDHN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CCN(C2CC2)C1 ZINC000452168505 405200493 /nfs/dbraw/zinc/20/04/93/405200493.db2.gz DLXVTCHXYXGUPK-LBPRGKRZSA-N 0 3 303.362 2.151 20 5 DEBDHN O=[N+]([O-])c1cccc(N2CCN(CC[C@@H]3CCOC3)CC2)c1 ZINC000437594327 405208979 /nfs/dbraw/zinc/20/89/79/405208979.db2.gz WBUXWDUYEYBLGQ-CQSZACIVSA-N 0 3 305.378 2.143 20 5 DEBDHN CO[C@@H]1C[C@@H](NCC(=O)Nc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000453129364 405285847 /nfs/dbraw/zinc/28/58/47/405285847.db2.gz XWKSYCPQAMDNMY-ZIAGYGMSSA-N 0 3 319.361 2.081 20 5 DEBDHN CN(Cc1ccccc1)[C@@H]1CCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000368119817 405228558 /nfs/dbraw/zinc/22/85/58/405228558.db2.gz YNXMOVDASPPTAA-CQSZACIVSA-N 0 3 313.361 2.096 20 5 DEBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CCOCC3CCC3)C2)nc1 ZINC000419227426 405230717 /nfs/dbraw/zinc/23/07/17/405230717.db2.gz SNPCMDUTCNZMMW-AWEZNQCLSA-N 0 3 320.393 2.293 20 5 DEBDHN Cc1cc(C(=O)N2CCC[C@H]3CN(C)C[C@H]32)cc([N+](=O)[O-])c1 ZINC000425061069 405239999 /nfs/dbraw/zinc/23/99/99/405239999.db2.gz XUJXFPWAWKPWSP-SWLSCSKDSA-N 0 3 303.362 2.069 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)NC(C)(C)CN(C)C ZINC000455170622 405382949 /nfs/dbraw/zinc/38/29/49/405382949.db2.gz OGSRTRJDDWLLJE-UHFFFAOYSA-N 0 3 310.354 2.065 20 5 DEBDHN CCOC(=O)c1cc(N(C)C[C@@H]2CCCN2C)ccc1[N+](=O)[O-] ZINC000420643966 405367186 /nfs/dbraw/zinc/36/71/86/405367186.db2.gz YFOXORDHVVCYAA-ZDUSSCGKSA-N 0 3 321.377 2.302 20 5 DEBDHN CO[C@@H]1COCC[C@H]1CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000449463013 405572710 /nfs/dbraw/zinc/57/27/10/405572710.db2.gz VVTZHLPKTRDWAS-SMDDNHRTSA-N 0 3 314.769 2.389 20 5 DEBDHN CC[C@@H](O)[C@H](CC)NCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000449638323 405651369 /nfs/dbraw/zinc/65/13/69/405651369.db2.gz KDRGMQDONGFOPR-WCQYABFASA-N 0 3 312.366 2.251 20 5 DEBDHN CN1CCN(CCCCNc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000580589977 405652364 /nfs/dbraw/zinc/65/23/64/405652364.db2.gz SAKALINMZGMVGC-UHFFFAOYSA-N 0 3 310.373 2.173 20 5 DEBDHN CC1(C)CCCN1CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000457047220 405669926 /nfs/dbraw/zinc/66/99/26/405669926.db2.gz CGPVPDBODNRVOE-UHFFFAOYSA-N 0 3 309.341 2.338 20 5 DEBDHN CC(C)N1CC[C@H](N(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000457141568 405720207 /nfs/dbraw/zinc/72/02/07/405720207.db2.gz ZKEINUXKRQFIDS-ZDUSSCGKSA-N 0 3 309.341 2.289 20 5 DEBDHN CN(C)CC(C)(C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000457208598 405753517 /nfs/dbraw/zinc/75/35/17/405753517.db2.gz NTWPICDMEWMWIY-UHFFFAOYSA-N 0 3 305.334 2.411 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCC1(O)CCOCC1 ZINC000560575127 405849394 /nfs/dbraw/zinc/84/93/94/405849394.db2.gz UVAZENOIUKIFRK-ZDUSSCGKSA-N 0 3 308.378 2.485 20 5 DEBDHN O=C1CC[C@H](CN(Cc2ccccc2[N+](=O)[O-])C2CC2)CCN1 ZINC000450598989 405973944 /nfs/dbraw/zinc/97/39/44/405973944.db2.gz KBZVVYPNIUMYDU-ZDUSSCGKSA-N 0 3 317.389 2.476 20 5 DEBDHN O=[N+]([O-])c1ccc(N2CCN(C[C@@H]3CC=CCC3)CC2)cn1 ZINC000536637760 406272129 /nfs/dbraw/zinc/27/21/29/406272129.db2.gz GZXLYEZYWZKCES-CQSZACIVSA-N 0 3 302.378 2.468 20 5 DEBDHN CC(C)[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000487989613 406281131 /nfs/dbraw/zinc/28/11/31/406281131.db2.gz AEPUWDLPDUJLGJ-INIZCTEOSA-N 0 3 307.394 2.246 20 5 DEBDHN C[C@H](C(=O)NC1(CN(C)C)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000545959763 406339178 /nfs/dbraw/zinc/33/91/78/406339178.db2.gz RHKJXOPNWLKEQW-LBPRGKRZSA-N 0 3 305.378 2.299 20 5 DEBDHN CCN(C[C@@H]1CCCN1CC)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000547797851 406447963 /nfs/dbraw/zinc/44/79/63/406447963.db2.gz PHARGWNUXUTZPZ-INIZCTEOSA-N 0 3 319.405 2.470 20 5 DEBDHN O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N1CCN2CCC[C@@H]2C1 ZINC000491545400 406616625 /nfs/dbraw/zinc/61/66/25/406616625.db2.gz IOEZGVASOLVKTE-YVARQFDVSA-N 0 3 319.336 2.054 20 5 DEBDHN C[C@H](C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000572830118 406744942 /nfs/dbraw/zinc/74/49/42/406744942.db2.gz HBKKJUZTFDVIOX-MQIPJXDCSA-N 0 3 317.389 2.297 20 5 DEBDHN CN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)[C@H]1CN2CCC1CC2 ZINC000491797847 406724870 /nfs/dbraw/zinc/72/48/70/406724870.db2.gz QDWHCXQZFMKGBZ-JFDDCEBESA-N 0 3 315.373 2.161 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCN(C)C2)c1 ZINC000555005902 406831520 /nfs/dbraw/zinc/83/15/20/406831520.db2.gz FUBPWOFWEQTAFN-GFCCVEGCSA-N 0 3 321.377 2.065 20 5 DEBDHN C[C@@H](CO)N(C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000132165766 196232735 /nfs/dbraw/zinc/23/27/35/196232735.db2.gz BXTHGNWNJSKHPQ-NSHDSACASA-N 0 3 305.334 2.105 20 5 DEBDHN CC[C@H](O)CN(CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000134487618 196395504 /nfs/dbraw/zinc/39/55/04/196395504.db2.gz DWOCHHNCHQDQSL-HNNXBMFYSA-N 0 3 318.377 2.064 20 5 DEBDHN Cc1nc(NC[C@H](c2ccccc2)N(C)C)ncc1[N+](=O)[O-] ZINC000296590342 226026846 /nfs/dbraw/zinc/02/68/46/226026846.db2.gz RWNLTHYVNJYAOV-CQSZACIVSA-N 0 3 301.350 2.408 20 5 DEBDHN CCN1CCN(CCCNc2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000290979324 222044925 /nfs/dbraw/zinc/04/49/25/222044925.db2.gz PXTABNGJLKDAAC-UHFFFAOYSA-N 0 3 324.400 2.482 20 5 DEBDHN COCCN(C)CCNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413108605 228277129 /nfs/dbraw/zinc/27/71/29/228277129.db2.gz DUWKYTGWNIEWJV-UHFFFAOYSA-N 0 3 304.350 2.133 20 5 DEBDHN CN(C)CCOCCNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413218977 228292732 /nfs/dbraw/zinc/29/27/32/228292732.db2.gz BZDHDVBORPLERU-UHFFFAOYSA-N 0 3 304.350 2.133 20 5 DEBDHN CC(C)Oc1nc(N[C@@H]2CCN(C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000570107389 424926250 /nfs/dbraw/zinc/92/62/50/424926250.db2.gz UZMHAUJLJSJMCK-NWDGAFQWSA-N 0 3 308.382 2.672 20 5 DEBDHN CN(C)Cc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2N)c1 ZINC000175959228 267528390 /nfs/dbraw/zinc/52/83/90/267528390.db2.gz MWMXUCHWLYUBSE-UHFFFAOYSA-N 0 3 314.345 2.491 20 5 DEBDHN CCCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000496422690 269218915 /nfs/dbraw/zinc/21/89/15/269218915.db2.gz XOJKELNTJGWKLH-MNOVXSKESA-N 0 3 318.370 2.230 20 5 DEBDHN CCCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000496422692 269218959 /nfs/dbraw/zinc/21/89/59/269218959.db2.gz XOJKELNTJGWKLH-WDEREUQCSA-N 0 3 318.370 2.230 20 5 DEBDHN C[C@@H]1CSC[C@@H]1N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000507222648 269315474 /nfs/dbraw/zinc/31/54/74/269315474.db2.gz VUUCVRRFMHWIPZ-SWHYSGLUSA-N 0 3 321.402 2.041 20 5 DEBDHN CC1(C)CC[C@H]1NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000517390907 269385011 /nfs/dbraw/zinc/38/50/11/269385011.db2.gz IQOZVCYYESCPPR-CYBMUJFWSA-N 0 3 321.333 2.040 20 5 DEBDHN CN1CCC(Nc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000081941001 273870468 /nfs/dbraw/zinc/87/04/68/273870468.db2.gz KPJMJVVEACKACO-UHFFFAOYSA-N 0 3 315.171 2.258 20 5 DEBDHN CC(C)c1ccc(CN2CCC[C@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000155061863 276052644 /nfs/dbraw/zinc/05/26/44/276052644.db2.gz IPNSKSORTSBUGQ-ZDUSSCGKSA-N 0 3 305.378 2.416 20 5 DEBDHN CCN1CCCC[C@H]1CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269379621 276160818 /nfs/dbraw/zinc/16/08/18/276160818.db2.gz JBEZIERLLQFOSO-NSHDSACASA-N 0 3 323.397 2.046 20 5 DEBDHN CN(C)CC1(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCC1 ZINC000281871039 276781670 /nfs/dbraw/zinc/78/16/70/276781670.db2.gz ZKRZKMVLFUAEBE-UHFFFAOYSA-N 0 3 316.361 2.290 20 5 DEBDHN CN1CCC2(CCCN2C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000374296469 277038089 /nfs/dbraw/zinc/03/80/89/277038089.db2.gz PGJIMZLASRFJPE-UHFFFAOYSA-N 0 3 303.362 2.295 20 5 DEBDHN C[C@@H](CN1CCCCC1)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000132499165 278253415 /nfs/dbraw/zinc/25/34/15/278253415.db2.gz YSNZJLJLYZUXGH-NSHDSACASA-N 0 3 309.341 2.338 20 5 DEBDHN CCN(CCN1CCCCCC1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000331562452 279188117 /nfs/dbraw/zinc/18/81/17/279188117.db2.gz TXUWQQUSNZHULG-UHFFFAOYSA-N 0 3 308.382 2.261 20 5 DEBDHN C[C@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000248389285 279339865 /nfs/dbraw/zinc/33/98/65/279339865.db2.gz ASZLVCNYUQLSQB-NWDGAFQWSA-N 0 3 321.381 2.232 20 5 DEBDHN C[C@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000245769949 279344541 /nfs/dbraw/zinc/34/45/41/279344541.db2.gz XBGVTAFRVJUZTD-NWDGAFQWSA-N 0 3 320.393 2.027 20 5 DEBDHN Cc1ccc(N2CCN(C[C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000267368011 280876480 /nfs/dbraw/zinc/87/64/80/280876480.db2.gz JHBDFKHBOFQKSO-AWEZNQCLSA-N 0 3 305.378 2.062 20 5 DEBDHN Cc1cc(N[C@@H](CO)CN2CCCCC2)c(F)cc1[N+](=O)[O-] ZINC000450522624 301364392 /nfs/dbraw/zinc/36/43/92/301364392.db2.gz YTJFJQARMIYKBV-GFCCVEGCSA-N 0 3 311.357 2.301 20 5 DEBDHN CCNC(=O)[C@H](NC/C=C\c1ccccc1[N+](=O)[O-])C(C)C ZINC000339430869 521746055 /nfs/dbraw/zinc/74/60/55/521746055.db2.gz CKQODDFWXGZZRT-SOIVGHGOSA-N 0 3 305.378 2.358 20 5 DEBDHN CN(C)CCOc1cccc(NC(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000337253018 521803386 /nfs/dbraw/zinc/80/33/86/521803386.db2.gz LLXJTDZRSLSFCQ-UHFFFAOYSA-N 0 3 319.317 2.381 20 5 DEBDHN CCC1(CC)CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000295903787 529081267 /nfs/dbraw/zinc/08/12/67/529081267.db2.gz GTBGEZIQSDEKHY-CYBMUJFWSA-N 0 3 308.378 2.457 20 5 DEBDHN CCCN1CCC[C@@H]1C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000349117025 535361859 /nfs/dbraw/zinc/36/18/59/535361859.db2.gz IUBADOKGHSSNJU-CYBMUJFWSA-N 0 3 321.377 2.094 20 5 DEBDHN C[NH+](C)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])n[n-]2)cc1Cl ZINC000355502965 536015404 /nfs/dbraw/zinc/01/54/04/536015404.db2.gz ULVSILYDQCPEAR-UHFFFAOYSA-N 0 3 323.740 2.285 20 5 DEBDHN C[C@H](N[C@@H](C)[C@@H]1CCS(=O)(=O)C1)c1ccccc1[N+](=O)[O-] ZINC000893280072 625375179 /nfs/dbraw/zinc/37/51/79/625375179.db2.gz UEOBEKWPBLTVJI-SDDRHHMPSA-N 0 3 312.391 2.069 20 5 DEBDHN O=C(CC1CC1)N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001021767781 624058260 /nfs/dbraw/zinc/05/82/60/624058260.db2.gz KKFMXBXQPPNCRJ-OKILXGFUSA-N 0 3 303.362 2.132 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1CN1CCCCCNC(=O)CC1 ZINC000934154305 624754525 /nfs/dbraw/zinc/75/45/25/624754525.db2.gz HFMDNCBYOYLWBG-UHFFFAOYSA-N 0 3 321.377 2.096 20 5 DEBDHN COc1c(O)ccc(CN2CCN(C)C[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC000893459647 633751267 /nfs/dbraw/zinc/75/12/67/633751267.db2.gz AWDQXIXXXQKEPI-CYBMUJFWSA-N 0 3 323.393 2.081 20 5 DEBDHN CC1(CCNCc2ccc(Cl)cc2[N+](=O)[O-])OCCO1 ZINC000893583423 634845520 /nfs/dbraw/zinc/84/55/20/634845520.db2.gz YALUTRUNCVCFDX-UHFFFAOYSA-N 0 3 300.742 2.491 20 5 DEBDHN COC(C)(C)[C@H](C)NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000922583048 636256366 /nfs/dbraw/zinc/25/63/66/636256366.db2.gz SPFFICCUYHFOSG-JTQLQIEISA-N 0 3 310.350 2.364 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNCCOC1CCOCC1 ZINC000922928005 636863963 /nfs/dbraw/zinc/86/39/63/636863963.db2.gz DQIJTVJEPAIMNF-UHFFFAOYSA-N 0 3 308.378 2.497 20 5 DEBDHN CC(C)[C@H]1CN(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CCN1C ZINC000895027147 637393784 /nfs/dbraw/zinc/39/37/84/637393784.db2.gz OSXBJBFQARBPHC-CQSZACIVSA-N 0 3 308.338 2.279 20 5 DEBDHN O=[N+]([O-])c1cc(Cl)ccc1CNCC[C@@]1(O)CCCOC1 ZINC000895186250 637766914 /nfs/dbraw/zinc/76/69/14/637766914.db2.gz VPOWPQMGAHPXFL-AWEZNQCLSA-N 0 3 314.769 2.269 20 5 DEBDHN C[C@@H](N[C@@H](C)[C@H]1CCS(=O)(=O)C1)c1ccccc1[N+](=O)[O-] ZINC000895944616 638279850 /nfs/dbraw/zinc/27/98/50/638279850.db2.gz UEOBEKWPBLTVJI-TUAOUCFPSA-N 0 3 312.391 2.069 20 5 DEBDHN CCO[C@@H](CNc1ccc([N+](=O)[O-])cc1C(C)=O)CN(C)C ZINC000896115565 638360891 /nfs/dbraw/zinc/36/08/91/638360891.db2.gz MBPSGZPORPIZJQ-ZDUSSCGKSA-N 0 3 309.366 2.176 20 5 DEBDHN O=[N+]([O-])c1ccc(Cl)cc1CN[C@@H]1CNCCC1(F)F ZINC000841075487 650423226 /nfs/dbraw/zinc/42/32/26/650423226.db2.gz RIDIDHQWAIJAKU-LLVKDONJSA-N 0 3 305.712 2.335 20 5 DEBDHN CC(=O)c1cc(N2C[C@H]3CN(C)C[C@@]3(C)C2)ccc1[N+](=O)[O-] ZINC000896913904 639069379 /nfs/dbraw/zinc/06/93/79/639069379.db2.gz XXVHAJNOJGWKAM-WBMJQRKESA-N 0 3 303.362 2.185 20 5 DEBDHN C[C@H]1CN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1C ZINC000751932390 639136792 /nfs/dbraw/zinc/13/67/92/639136792.db2.gz ZSBPMGOHFZZCON-TXEJJXNPSA-N 0 3 301.350 2.399 20 5 DEBDHN C[C@H](CC[S@@](C)=O)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761528266 640321649 /nfs/dbraw/zinc/32/16/49/640321649.db2.gz PVUZRLNTMPCENM-AYLIAGHASA-N 0 3 304.799 2.495 20 5 DEBDHN CCOc1ccc([C@H](C)NCC[S@@](=O)CC)cc1[N+](=O)[O-] ZINC000768103388 641051439 /nfs/dbraw/zinc/05/14/39/641051439.db2.gz FAGRPPZEUFQQNW-MQJDWESPSA-N 0 3 314.407 2.413 20 5 DEBDHN COCCOC[C@@H](C)N[C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903119138 643258431 /nfs/dbraw/zinc/25/84/31/643258431.db2.gz GXQSNCOZMXZIGT-VXGBXAGGSA-N 0 3 312.366 2.306 20 5 DEBDHN Cc1ccc(-c2ccc(C(=O)OCC(C)[N+](=O)[O-])cc2)nn1 ZINC000842802420 650828752 /nfs/dbraw/zinc/82/87/52/650828752.db2.gz YGLQEDOCEDZQKP-LLVKDONJSA-N 0 3 301.302 2.274 20 5 DEBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@@H]1CC2(CC2)C(=O)O1 ZINC000796112021 644686872 /nfs/dbraw/zinc/68/68/72/644686872.db2.gz FASIIFJCWZGPAX-ZDUSSCGKSA-N 0 3 304.346 2.165 20 5 DEBDHN COc1cccc(C(=O)CCCC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000797280340 644864241 /nfs/dbraw/zinc/86/42/41/644864241.db2.gz NHTZWSLQGVZTHQ-LLVKDONJSA-N 0 3 309.318 2.257 20 5 DEBDHN CCCN(CCN(C)C)C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000129211772 644932788 /nfs/dbraw/zinc/93/27/88/644932788.db2.gz KMAYWJFKBIFXBU-UHFFFAOYSA-N 0 3 315.320 2.287 20 5 DEBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N(C)C[C@H]1CCCN1C ZINC000843907923 651046541 /nfs/dbraw/zinc/04/65/41/651046541.db2.gz CKXUBLDLEVBRTN-LLVKDONJSA-N 0 3 309.341 2.209 20 5 DEBDHN Cc1nn(CN2C[C@@H](C)N(C)[C@@H](C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000840090334 645940415 /nfs/dbraw/zinc/94/04/15/645940415.db2.gz PLJVFDSTPAERCO-TXEJJXNPSA-N 0 3 317.393 2.235 20 5 DEBDHN CC(COC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[N+](=O)[O-] ZINC000813106347 646729830 /nfs/dbraw/zinc/72/98/30/646729830.db2.gz BJEQVBZNLXNCIW-ZCFIWIBFSA-N 0 3 320.204 2.018 20 5 DEBDHN CC(COC(=O)Cc1csc(Cc2ccccc2)n1)[N+](=O)[O-] ZINC000813108203 646730167 /nfs/dbraw/zinc/73/01/67/646730167.db2.gz VKWZZNGEVZVBLD-LLVKDONJSA-N 0 3 320.370 2.485 20 5 DEBDHN CC(COC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[N+](=O)[O-] ZINC000813107640 646730523 /nfs/dbraw/zinc/73/05/23/646730523.db2.gz PRTMUCHVGRXSEG-ZCFIWIBFSA-N 0 3 322.195 2.436 20 5 DEBDHN CC(COC(=O)[C@H]1CCCCN1Cc1ccccc1)[N+](=O)[O-] ZINC000813110137 646730600 /nfs/dbraw/zinc/73/06/00/646730600.db2.gz ZWHNFQDKFLAACE-DZGCQCFKSA-N 0 3 306.362 2.250 20 5 DEBDHN CC(COC(=O)[C@@H]1CCCCN1Cc1ccccc1)[N+](=O)[O-] ZINC000813110139 646730778 /nfs/dbraw/zinc/73/07/78/646730778.db2.gz ZWHNFQDKFLAACE-HIFRSBDPSA-N 0 3 306.362 2.250 20 5 DEBDHN CSc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000813112855 646731280 /nfs/dbraw/zinc/73/12/80/646731280.db2.gz UYBHZNOVKYORIE-SSDOTTSWSA-N 0 3 300.292 2.139 20 5 DEBDHN CC(C)NC(=O)Nc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813115466 646734152 /nfs/dbraw/zinc/73/41/52/646734152.db2.gz SSWCGTTXMBBTTP-JTQLQIEISA-N 0 3 309.322 2.039 20 5 DEBDHN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H](N)C1CCC1 ZINC000817908545 647379130 /nfs/dbraw/zinc/37/91/30/647379130.db2.gz GOHKEEBBWKILOO-ZDUSSCGKSA-N 0 3 311.769 2.334 20 5 DEBDHN CCc1cnccc1CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819214934 647609883 /nfs/dbraw/zinc/60/98/83/647609883.db2.gz ZASDZDXZPOFJHF-MRXNPFEDSA-N 0 3 301.346 2.375 20 5 DEBDHN O=[N+]([O-])c1ccc(-c2noc([C@H]3CN4CCC[C@H]4CO3)n2)cc1 ZINC000923757092 648026722 /nfs/dbraw/zinc/02/67/22/648026722.db2.gz CNIOPVMACITMOJ-QWHCGFSZSA-N 0 3 316.317 2.181 20 5 DEBDHN O=[N+]([O-])c1ccc(OCCCN2CC[C@@](O)(C(F)F)C2)cc1 ZINC000831170065 649547934 /nfs/dbraw/zinc/54/79/34/649547934.db2.gz NUBFTKVKTBLGFJ-AWEZNQCLSA-N 0 3 316.304 2.066 20 5 DEBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@]3(CCOC3)C2)c1 ZINC000832348905 649700281 /nfs/dbraw/zinc/70/02/81/649700281.db2.gz UASPVTYITJKNNG-HOTGVXAUSA-N 0 3 306.362 2.131 20 5 DEBDHN Cc1cn(C)nc1C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845882245 651292103 /nfs/dbraw/zinc/29/21/03/651292103.db2.gz RUPHUSREFURULL-IINYFYTJSA-N 0 3 321.308 2.431 20 5 DEBDHN O=[N+]([O-])c1ccc(Cl)c(CNCC[C@]2(O)CCCOC2)c1 ZINC000846112128 651308419 /nfs/dbraw/zinc/30/84/19/651308419.db2.gz XFOMJSNKOSJTEQ-CQSZACIVSA-N 0 3 314.769 2.269 20 5 DEBDHN N[C@@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[C@H]1F ZINC000850723147 651973516 /nfs/dbraw/zinc/97/35/16/651973516.db2.gz ZTAWMKONXFJMDB-NXEZZACHSA-N 0 3 316.720 2.151 20 5 DEBDHN CO[C@@H]1CN(C)[C@@](C)(COC(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000861338846 686046889 /nfs/dbraw/zinc/04/68/89/686046889.db2.gz GMTUUXDTZSHUEA-XJKSGUPXSA-N 0 3 322.361 2.169 20 5 DEBDHN CO[C@@H]1CN(C)[C@](C)(COC(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000861344357 686049511 /nfs/dbraw/zinc/04/95/11/686049511.db2.gz OWTZCZMVLQOTFT-BBRMVZONSA-N 0 3 322.361 2.169 20 5 DEBDHN C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])NCC(=O)NC1CCCC1 ZINC000866295420 687525598 /nfs/dbraw/zinc/52/55/98/687525598.db2.gz BKJMTLQACUDREE-LLVKDONJSA-N 0 3 323.368 2.313 20 5 DEBDHN Cc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1-c1cnn(C)c1 ZINC000870376449 688551896 /nfs/dbraw/zinc/55/18/96/688551896.db2.gz JSMDMKWUMVHCIE-LLVKDONJSA-N 0 3 303.318 2.218 20 5 DEBDHN COc1ccc(NC(=O)N(C)[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000930768867 694237381 /nfs/dbraw/zinc/23/73/81/694237381.db2.gz LFUORRRCSWPSLC-GFCCVEGCSA-N 0 3 322.365 2.161 20 5 DEBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000871764315 688863729 /nfs/dbraw/zinc/86/37/29/688863729.db2.gz FSAKINZVCWPMGG-KGLIPLIRSA-N 0 3 322.340 2.434 20 5 DEBDHN C[C@H](NC[C@@H]1CC(=O)N(C2CC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872083174 688924218 /nfs/dbraw/zinc/92/42/18/688924218.db2.gz IJPMAUWKIUUWCN-QWRGUYRKSA-N 0 3 321.352 2.395 20 5 DEBDHN Cc1c(CNCCC(=O)Nc2ccccn2)cccc1[N+](=O)[O-] ZINC000873026680 689143645 /nfs/dbraw/zinc/14/36/45/689143645.db2.gz KHSNBWOWLOOUDC-UHFFFAOYSA-N 0 3 314.345 2.417 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN[C@H](C)[C@@H]1CN(C)CCO1 ZINC000873081799 689155826 /nfs/dbraw/zinc/15/58/26/689155826.db2.gz RLGKUYXGNQEVFV-CJNGLKHVSA-N 0 3 307.394 2.020 20 5 DEBDHN Cc1c(CNCC[S@@](=O)CC(F)(F)F)cccc1[N+](=O)[O-] ZINC000873134920 689167191 /nfs/dbraw/zinc/16/71/91/689167191.db2.gz RCIJVVSKJBWYDR-OAQYLSRUSA-N 0 3 324.324 2.304 20 5 DEBDHN COc1ccc(CN2[C@H](C)CC[C@@H](C(N)=O)[C@H]2C)cc1[N+](=O)[O-] ZINC000930914827 694271563 /nfs/dbraw/zinc/27/15/63/694271563.db2.gz JIAUZDYEAOWORN-NQBHXWOUSA-N 0 3 321.377 2.078 20 5 DEBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000874845482 689516333 /nfs/dbraw/zinc/51/63/33/689516333.db2.gz VOPCZLGVCTXVJT-ZIAGYGMSSA-N 0 3 307.325 2.043 20 5 DEBDHN Cc1cccc(C(=O)N2CC[C@@H]3[C@@H]2CCCN3C)c1[N+](=O)[O-] ZINC000874849886 689519512 /nfs/dbraw/zinc/51/95/12/689519512.db2.gz ZPWQDDBGUISRRM-KGLIPLIRSA-N 0 3 303.362 2.212 20 5 DEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000931058325 694306397 /nfs/dbraw/zinc/30/63/97/694306397.db2.gz WQVARUNYMXKMRH-VXGBXAGGSA-N 0 3 306.366 2.426 20 5 DEBDHN CO[C@]1(CO)CCCN(Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877624839 690171482 /nfs/dbraw/zinc/17/14/82/690171482.db2.gz TVFOTAGTENGFBD-MRXNPFEDSA-N 0 3 308.378 2.185 20 5 DEBDHN C[C@](CO)(NC[C@@H]1C[C@H]2CCC[C@H]2O1)c1cccc([N+](=O)[O-])c1 ZINC000879273678 690607830 /nfs/dbraw/zinc/60/78/30/690607830.db2.gz XOZZDNIDFRSXNL-VJUNAUMWSA-N 0 3 320.389 2.350 20 5 DEBDHN CC(=O)c1c(NC[C@@H]2CCCN2CCCO)cccc1[N+](=O)[O-] ZINC000882408171 691277846 /nfs/dbraw/zinc/27/78/46/691277846.db2.gz CBNGGPZZAYUWJU-ZDUSSCGKSA-N 0 3 321.377 2.056 20 5 DEBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](N)CC1CC1 ZINC000884101216 691654624 /nfs/dbraw/zinc/65/46/24/691654624.db2.gz RERNEKUADDHZOD-HNNXBMFYSA-N 0 3 305.378 2.459 20 5 DEBDHN COC(=O)[C@H]1CC[C@@H](NCc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000886522049 692100056 /nfs/dbraw/zinc/10/00/56/692100056.db2.gz BCEOULQKVHUGTI-CMPLNLGQSA-N 0 3 308.334 2.035 20 5 DEBDHN CCOc1cc(NC(=O)NC[C@H]2CCCN2C)ccc1[N+](=O)[O-] ZINC000888830560 692610242 /nfs/dbraw/zinc/61/02/42/692610242.db2.gz VWMRAXISUZQTOR-GFCCVEGCSA-N 0 3 322.365 2.209 20 5 DEBDHN C[C@@H](NC[C@@H](O)CC1(O)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000932176334 694567545 /nfs/dbraw/zinc/56/75/45/694567545.db2.gz BXBAFWLQCMUMFA-DOMZBBRYSA-N 0 3 308.378 2.302 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000926943871 693532779 /nfs/dbraw/zinc/53/27/79/693532779.db2.gz WPTMJVFHIFTZDF-IQDSPRDJSA-N 0 3 322.361 2.058 20 5 DEBDHN C[C@H](NC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000927042996 693545066 /nfs/dbraw/zinc/54/50/66/693545066.db2.gz RCYRDMQKKHBWGU-UFBLJUAHSA-N 0 3 324.402 2.354 20 5 DEBDHN CCN1CCCN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000932354821 694600054 /nfs/dbraw/zinc/60/00/54/694600054.db2.gz YMAQJSRLERPCTL-CVEARBPZSA-N 0 3 317.389 2.253 20 5 DEBDHN CCOc1ccc(C(=O)NC[C@H]2CCCCN2C)cc1[N+](=O)[O-] ZINC001349865444 1151300745 /nfs/dbraw/zinc/30/07/45/1151300745.db2.gz VUKJQTRWLHTKCN-CYBMUJFWSA-N 0 3 321.377 2.208 20 5 DEBDHN COCCN1CC[C@H](Nc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001353244295 1151819772 /nfs/dbraw/zinc/81/97/72/1151819772.db2.gz ASWRICVYVVRGBC-LBPRGKRZSA-N 0 3 316.361 2.276 20 5 DEBDHN CN1CCCC[C@@H]1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001353893484 1151860789 /nfs/dbraw/zinc/86/07/89/1151860789.db2.gz KPZVABWHGUCQQL-OAHLLOKOSA-N 0 3 319.405 2.473 20 5 DEBDHN O=[N+]([O-])C[C@H]1CC[C@@H](NCc2ccn(Cc3ccccc3)n2)C1 ZINC001168987985 785005541 /nfs/dbraw/zinc/00/55/41/785005541.db2.gz MDLSFVINLINLPD-JKSUJKDBSA-N 0 3 314.389 2.466 20 5 DEBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCN(Cc3cccc(F)c3)CC2)C1 ZINC001169023874 785018271 /nfs/dbraw/zinc/01/82/71/785018271.db2.gz GBGLLAAEOBRVJS-NVXWUHKLSA-N 0 3 321.396 2.389 20 5 DEBDHN Cc1cc(Cl)nc(N2C[C@H]3CCCN(C)[C@@H]3C2)c1[N+](=O)[O-] ZINC001157265336 786218309 /nfs/dbraw/zinc/21/83/09/786218309.db2.gz JHLOQGSEWOUHAE-GHMZBOCLSA-N 0 3 310.785 2.482 20 5 DEBDHN CN1CC(CNc2ccc(OC(F)(F)F)c([N+](=O)[O-])c2)C1 ZINC001170254128 786889669 /nfs/dbraw/zinc/88/96/69/786889669.db2.gz KCJPOBVRQYEITB-UHFFFAOYSA-N 0 3 305.256 2.467 20 5 DEBDHN COc1ccc(C[C@H](C)N[C@@H]2CCOC[C@@H]2F)c([N+](=O)[O-])c1 ZINC001170306510 786914270 /nfs/dbraw/zinc/91/42/70/786914270.db2.gz WOBSSDJLECDIDM-LEWSCRJBSA-N 0 3 312.341 2.251 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@@H](N1CCC3(C1)OCCO3)CC2 ZINC001172912560 793544948 /nfs/dbraw/zinc/54/49/48/793544948.db2.gz BVAGDPJIGBLOKF-HNNXBMFYSA-N 0 3 318.373 2.291 20 5 DEBDHN COCCCN1CCN([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173234549 793645601 /nfs/dbraw/zinc/64/56/01/793645601.db2.gz SATHACAYKATKLR-HNNXBMFYSA-N 0 3 321.421 2.180 20 5 DEBDHN Cc1ccccc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001122839858 795809635 /nfs/dbraw/zinc/80/96/35/795809635.db2.gz AISVOOFQJBASQA-UHFFFAOYSA-N 0 3 313.357 2.423 20 5 DEBDHN Cc1cc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)c(C)o1 ZINC001123396858 795906645 /nfs/dbraw/zinc/90/66/45/795906645.db2.gz MYONEVUWFSEJJS-UHFFFAOYSA-N 0 3 317.345 2.324 20 5 DEBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CCN[C@@H](c2ccccc2)C1 ZINC001187687282 796561433 /nfs/dbraw/zinc/56/14/33/796561433.db2.gz WZJSGHTVFFHGJG-CQSZACIVSA-N 0 3 315.377 2.271 20 5 DEBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])c1ccoc1 ZINC001154588226 797569217 /nfs/dbraw/zinc/56/92/17/797569217.db2.gz JLRMAFJFMPEYDZ-UHFFFAOYSA-N 0 3 303.318 2.098 20 5 DEBDHN COc1cnc(N2CCNC[C@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC001156097016 797924553 /nfs/dbraw/zinc/92/45/53/797924553.db2.gz FDUWIQIYPULIIH-LBPRGKRZSA-N 0 3 320.374 2.211 20 5 DEBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])[C@H]1C[C@H]2C[C@H]2C1 ZINC001164380749 799589044 /nfs/dbraw/zinc/58/90/44/799589044.db2.gz RXTDXMKNJKZVIC-FICVDOATSA-N 0 3 317.389 2.237 20 5 DEBDHN CCC1(C(=O)NCCCNCc2csc([N+](=O)[O-])c2)CC1 ZINC001165966367 799804751 /nfs/dbraw/zinc/80/47/51/799804751.db2.gz AKZRMSVPCPFBLO-UHFFFAOYSA-N 0 3 311.407 2.442 20 5 DEBDHN O=[N+]([O-])c1ccc2nc(O[C@@H]3CCC[C@@]34CC[NH2+]C4)[n-]c2c1 ZINC001218096085 802141918 /nfs/dbraw/zinc/14/19/18/802141918.db2.gz RYCPOTXHOYQBMT-HIFRSBDPSA-N 0 3 302.334 2.382 20 5 DEBDHN O=[N+]([O-])c1ccc2[n-]c(O[C@@H]3CCC[C@@]34CC[NH2+]C4)nc2c1 ZINC001218096085 802141920 /nfs/dbraw/zinc/14/19/20/802141920.db2.gz RYCPOTXHOYQBMT-HIFRSBDPSA-N 0 3 302.334 2.382 20 5 DEBDHN c1ccc2nc3c(cccc3O[C@@H]3CN4C[C@H]3NCC4)cc2c1 ZINC001218109315 802144408 /nfs/dbraw/zinc/14/44/08/802144408.db2.gz MWDRYPJSTFUGLE-SJLPKXTDSA-N 0 3 305.381 2.423 20 5 DEBDHN C[C@H]1C[C@H](C)C[NH+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001603845333 1070117438 /nfs/dbraw/zinc/11/74/38/1070117438.db2.gz BVDNUOHNSQXSOY-QWRGUYRKSA-N 0 3 316.365 2.253 20 5 DEBDHN C[C@H]1C[C@H](C)C[NH+](Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001603845333 1070117441 /nfs/dbraw/zinc/11/74/41/1070117441.db2.gz BVDNUOHNSQXSOY-QWRGUYRKSA-N 0 3 316.365 2.253 20 5 DEBDHN Cc1nn(C)c(C)c1[C@@H](O)CNCc1cccc([N+](=O)[O-])c1C ZINC001474296489 1060845157 /nfs/dbraw/zinc/84/51/57/1060845157.db2.gz CSTOPSHMWYKFPL-HNNXBMFYSA-N 0 3 318.377 2.077 20 5 DEBDHN Cc1[nH]cnc1CC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC001634635150 1078434314 /nfs/dbraw/zinc/43/43/14/1078434314.db2.gz RFBWNINGAHBBED-JTQLQIEISA-N 0 3 302.334 2.355 20 5 DEBDHN COc1ccc(C[C@H]2CCN2CCn2cc([N+](=O)[O-])cn2)cc1 ZINC001641993113 1078737818 /nfs/dbraw/zinc/73/78/18/1078737818.db2.gz XXKFGJWYIZVSSY-CQSZACIVSA-N 0 3 316.361 2.117 20 5 DEBDHN Cc1ncncc1C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC001519200984 1069038459 /nfs/dbraw/zinc/03/84/59/1069038459.db2.gz HDRVWLFVSYTRIA-IINYFYTJSA-N 0 3 319.292 2.487 20 5 DEBDHN CC[C@@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)[C@H](CC)CN1 ZINC001573717888 1069077021 /nfs/dbraw/zinc/07/70/21/1069077021.db2.gz IGAWMINYEPBBAM-ZIAGYGMSSA-N 0 3 320.393 2.267 20 5 DEBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)NC[C@@H]1C ZINC001521512757 1069247740 /nfs/dbraw/zinc/24/77/40/1069247740.db2.gz LMIBVKPXFJRKKX-UWVGGRQHSA-N 0 3 309.391 2.139 20 5 DEBDHN CCN1C[C@H](NC(=O)c2cc(C)ccc2[N+](=O)[O-])C(C)(C)C1 ZINC001645341390 1078895730 /nfs/dbraw/zinc/89/57/30/1078895730.db2.gz NRHOZFAGKODDDE-AWEZNQCLSA-N 0 3 305.378 2.363 20 5 DEBDHN CN1C[C@@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC001597314998 1077092486 /nfs/dbraw/zinc/09/24/86/1077092486.db2.gz WFDISTIYOXCNQH-CQSZACIVSA-N 0 3 319.405 2.329 20 5 DEBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001297467087 1139871085 /nfs/dbraw/zinc/87/10/85/1139871085.db2.gz QHVRIHRVDLWTHA-AWEZNQCLSA-N 0 3 320.393 2.027 20 5 DEBDHN O=[N+]([O-])c1ccccc1CNC[C@@H](CO)CC1CCOCC1 ZINC001321014986 1141030614 /nfs/dbraw/zinc/03/06/14/1141030614.db2.gz GZTJUTZKWQVUFN-AWEZNQCLSA-N 0 3 308.378 2.110 20 5 DEBDHN CN(C)[C@@H](CNc1cc(N)c([N+](=O)[O-])cn1)c1cccs1 ZINC001336960335 1142642113 /nfs/dbraw/zinc/64/21/13/1142642113.db2.gz XSLXDRLYCMLQGR-NSHDSACASA-N 0 3 307.379 2.348 20 5 DEBDHN CC(C)(C)N1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC001255933632 1143815496 /nfs/dbraw/zinc/81/54/96/1143815496.db2.gz MSRUJTRSSXOQIP-UHFFFAOYSA-N 0 3 317.393 2.387 20 5 DEBDHN CC(C)CNC(=O)CN[C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001261853046 1144278701 /nfs/dbraw/zinc/27/87/01/1144278701.db2.gz VYZCINWWPVNENR-NSHDSACASA-N 0 3 311.357 2.027 20 5 DEBDHN N[C@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC001327090961 1148322706 /nfs/dbraw/zinc/32/27/06/1148322706.db2.gz XSYAVLBWLYNKAM-HNNXBMFYSA-N 0 3 320.393 2.031 20 5 DEBDHN C[C@H](N[C@@H]1CCC[C@@H]1CCO)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000279217394 214711844 /nfs/dbraw/zinc/71/18/44/214711844.db2.gz HRQFAWZLZDWSFZ-YWPYICTPSA-N 0 3 321.377 2.063 20 5 DEBDHN O=[N+]([O-])c1ccccc1OCCN1CCC(CCCO)CC1 ZINC000272760040 210163533 /nfs/dbraw/zinc/16/35/33/210163533.db2.gz ADWBUTUXAAQILZ-UHFFFAOYSA-N 0 3 308.378 2.458 20 5 DEBDHN CC(C)[C@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CCN1 ZINC001353622185 1151842404 /nfs/dbraw/zinc/84/24/04/1151842404.db2.gz CVJRLLYFIKTVFU-OWCLPIDISA-N 0 3 317.389 2.155 20 5 DEBDHN COc1ccc(C(=O)N(C)CC2(N(C)C)CCC2)cc1[N+](=O)[O-] ZINC000188027482 186246404 /nfs/dbraw/zinc/24/64/04/186246404.db2.gz VFDZVIMWZKUQRI-UHFFFAOYSA-N 0 3 321.377 2.160 20 5 DEBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC[C@@H](O)C3)o2)c1 ZINC000264258702 186330688 /nfs/dbraw/zinc/33/06/88/186330688.db2.gz LTQAUFDQQICVCK-CQSZACIVSA-N 0 3 317.345 2.249 20 5 DEBDHN CN1CC[C@@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000171968057 198018361 /nfs/dbraw/zinc/01/83/61/198018361.db2.gz BDLAUTLFYOIOIY-JTQLQIEISA-N 0 3 319.386 2.491 20 5 DEBDHN O=[N+]([O-])c1cnn(CCN2CCCN(c3ccccc3)CC2)c1 ZINC000174830733 198390236 /nfs/dbraw/zinc/39/02/36/198390236.db2.gz SVKYNHBUGSSFQR-UHFFFAOYSA-N 0 3 315.377 2.004 20 5 DEBDHN Cc1cc(C(=O)NCCN2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000047145582 354308095 /nfs/dbraw/zinc/30/80/95/354308095.db2.gz VGDFGFIFKNLCTD-GFCCVEGCSA-N 0 3 305.378 2.365 20 5 DEBDHN CNc1ccc(C(=O)NCCN2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000047148519 354308360 /nfs/dbraw/zinc/30/83/60/354308360.db2.gz YWQXLEAJIAZWNS-GFCCVEGCSA-N 0 3 320.393 2.098 20 5 DEBDHN CCCNC(=O)[C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000051043206 354378594 /nfs/dbraw/zinc/37/85/94/354378594.db2.gz VYORBNZBNCKBAT-AWEZNQCLSA-N 0 3 305.378 2.333 20 5 DEBDHN O=C(NCCN1CCCCC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000053514476 354437559 /nfs/dbraw/zinc/43/75/59/354437559.db2.gz ULERXTQVTXFZHC-UHFFFAOYSA-N 0 3 316.361 2.292 20 5 DEBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)N1CCCC1 ZINC000052641280 354410281 /nfs/dbraw/zinc/41/02/81/354410281.db2.gz HEPHSYLHCJXFFL-JTQLQIEISA-N 0 3 311.769 2.462 20 5 DEBDHN Cc1ccc([C@H](CNc2c([N+](=O)[O-])ncn2C)N(C)C)cc1 ZINC000067383182 354759693 /nfs/dbraw/zinc/75/96/93/354759693.db2.gz ATFCFQWCIXFZJS-ZDUSSCGKSA-N 0 3 303.366 2.352 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(C(C)C)CC1 ZINC000068799184 354833325 /nfs/dbraw/zinc/83/33/25/354833325.db2.gz NLZDQBYWRNMKGO-UHFFFAOYSA-N 0 3 321.377 2.160 20 5 DEBDHN CCO[C@@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000076403926 355146995 /nfs/dbraw/zinc/14/69/95/355146995.db2.gz QUXKASFLDPCWKU-OAHLLOKOSA-N 0 3 321.377 2.424 20 5 DEBDHN CCN1CCN([C@@H](C)CNc2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000088700932 355517975 /nfs/dbraw/zinc/51/79/75/355517975.db2.gz QUBNRJMEEGXDSK-AWEZNQCLSA-N 0 3 306.410 2.341 20 5 DEBDHN COCCN(CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000164961424 355975233 /nfs/dbraw/zinc/97/52/33/355975233.db2.gz POLFXPOBXYFGEU-UHFFFAOYSA-N 0 3 321.377 2.343 20 5 DEBDHN O=[N+]([O-])c1ccc2ncnc(NCCN3CCCCC3)c2c1 ZINC000316024414 356427029 /nfs/dbraw/zinc/42/70/29/356427029.db2.gz GVTZJBWKOMWQAL-UHFFFAOYSA-N 0 3 301.350 2.436 20 5 DEBDHN C[C@@](CO)(NCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000322611452 356453353 /nfs/dbraw/zinc/45/33/53/356453353.db2.gz SOTDKTYNWOLNJY-KRWDZBQOSA-N 0 3 316.357 2.471 20 5 DEBDHN CC[C@H](C)[C@H](N)C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000237027499 202127066 /nfs/dbraw/zinc/12/70/66/202127066.db2.gz PGXBGPAWLBLNHY-WFASDCNBSA-N 0 3 322.409 2.195 20 5 DEBDHN CC(C)O[C@H]1C[C@@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000590970142 357656111 /nfs/dbraw/zinc/65/61/11/357656111.db2.gz PBKFAEYERDXSIO-BETUJISGSA-N 0 3 322.361 2.412 20 5 DEBDHN COCC1(N(C)CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000591021517 357662687 /nfs/dbraw/zinc/66/26/87/357662687.db2.gz WVBARTYPVKUTJE-UHFFFAOYSA-N 0 3 307.350 2.034 20 5 DEBDHN CCc1nc(CNCC(C)=Cc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000449344880 283273573 /nfs/dbraw/zinc/27/35/73/283273573.db2.gz FOUYTIWXMRFECY-YRNVUSSQSA-N 0 3 301.350 2.468 20 5 DEBDHN Cc1occc1CNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000591727921 357754171 /nfs/dbraw/zinc/75/41/71/357754171.db2.gz KLQUEBYNONBAHO-ZDUSSCGKSA-N 0 3 306.318 2.026 20 5 DEBDHN C[C@@H](CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000591761136 357757922 /nfs/dbraw/zinc/75/79/22/357757922.db2.gz XZVXBEPFYZCQJG-GXSJLCMTSA-N 0 3 322.283 2.123 20 5 DEBDHN C[C@@H]1SCC[C@H]1NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000592380608 357869760 /nfs/dbraw/zinc/86/97/60/357869760.db2.gz MQQONHOWJZZQIU-GXSJLCMTSA-N 0 3 310.375 2.350 20 5 DEBDHN CCN1CCC(NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)CC1 ZINC000276685028 213046873 /nfs/dbraw/zinc/04/68/73/213046873.db2.gz UMBXHBTWVQMJJP-UHFFFAOYSA-N 0 3 321.377 2.126 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC[C@]1(O)CCCOC1 ZINC000593719618 358129450 /nfs/dbraw/zinc/12/94/50/358129450.db2.gz GEKJYDVKGXQIHF-XJKSGUPXSA-N 0 3 308.378 2.485 20 5 DEBDHN CCC(C)(C)N1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000594389839 358254467 /nfs/dbraw/zinc/25/44/67/358254467.db2.gz OHXDSOFJQUYXLG-UHFFFAOYSA-N 0 3 319.405 2.470 20 5 DEBDHN COC(=O)c1cnc(N[C@H](C)CN2CCCCC2)c([N+](=O)[O-])c1 ZINC000276629553 213010453 /nfs/dbraw/zinc/01/04/53/213010453.db2.gz VYJRFBRQGDUTHV-LLVKDONJSA-N 0 3 322.365 2.063 20 5 DEBDHN C[S@](=O)[C@H]1CCC[C@@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000594961100 358369547 /nfs/dbraw/zinc/36/95/47/358369547.db2.gz LFNXAPJHNZBGAG-FDMGOTLNSA-N 0 3 302.421 2.436 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1CCN(C2CC2)C1 ZINC000595012104 358377906 /nfs/dbraw/zinc/37/79/06/358377906.db2.gz NQJNRJSHUDZPMG-NWDGAFQWSA-N 0 3 305.378 2.491 20 5 DEBDHN Cc1noc(CN2CCN(C)CC23CCCCC3)c1[N+](=O)[O-] ZINC000595341695 358426227 /nfs/dbraw/zinc/42/62/27/358426227.db2.gz JYFSZHCAOXFJPM-UHFFFAOYSA-N 0 3 308.382 2.342 20 5 DEBDHN COc1ccc(OCCN(C)CC2=CCCOC2)c([N+](=O)[O-])c1 ZINC000595751871 358540827 /nfs/dbraw/zinc/54/08/27/358540827.db2.gz JKGLWRZAXSOGCJ-UHFFFAOYSA-N 0 3 322.361 2.261 20 5 DEBDHN C[C@@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)[C@@H]1CCO ZINC000595704830 358529089 /nfs/dbraw/zinc/52/90/89/358529089.db2.gz WFMYHOPZYWUUTP-CZUORRHYSA-N 0 3 308.378 2.457 20 5 DEBDHN Nc1ccc(N2CCN(C3CCCCC3)CC2)nc1[N+](=O)[O-] ZINC000596167656 358627979 /nfs/dbraw/zinc/62/79/79/358627979.db2.gz GTOOIIZXJYRHTQ-UHFFFAOYSA-N 0 3 305.382 2.027 20 5 DEBDHN NC(=O)c1cc(N[C@H]2CCCN3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000596298136 358662945 /nfs/dbraw/zinc/66/29/45/358662945.db2.gz URKRFZJUIGWXCX-DZGCQCFKSA-N 0 3 318.377 2.123 20 5 DEBDHN CNC(=O)c1ccc(N[C@H]2CCN(C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000596337158 358669300 /nfs/dbraw/zinc/66/93/00/358669300.db2.gz VENJOEUOMYHSJO-LBPRGKRZSA-N 0 3 320.393 2.239 20 5 DEBDHN CCCN1CC[C@H](Nc2nccc(C(=O)OCC)c2[N+](=O)[O-])C1 ZINC000596516896 358704308 /nfs/dbraw/zinc/70/43/08/358704308.db2.gz JASGHQBGJIELQG-NSHDSACASA-N 0 3 322.365 2.063 20 5 DEBDHN CCc1nn(C)c(N[C@H](C)CN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000596488944 358697521 /nfs/dbraw/zinc/69/75/21/358697521.db2.gz SXJYPKXVYJJZBM-GFCCVEGCSA-N 0 3 309.414 2.423 20 5 DEBDHN CC[C@@H]1CN(C)CCCN1C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000597604172 358960646 /nfs/dbraw/zinc/96/06/46/358960646.db2.gz GYYKUKVECGWDSP-CYBMUJFWSA-N 0 3 321.377 2.160 20 5 DEBDHN Cc1cc(C(=O)N2CCC[C@]3(CCN(C)C3)C2)ccc1[N+](=O)[O-] ZINC000597714203 358985392 /nfs/dbraw/zinc/98/53/92/358985392.db2.gz HDWMUKLXIJGZCA-QGZVFWFLSA-N 0 3 317.389 2.461 20 5 DEBDHN CCCN1CC[C@H](NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000598342817 359170680 /nfs/dbraw/zinc/17/06/80/359170680.db2.gz QJAVBMOQKYAGAR-JSGCOSHPSA-N 0 3 305.378 2.299 20 5 DEBDHN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CCCN1CCCCC1 ZINC000187651606 200139889 /nfs/dbraw/zinc/13/98/89/200139889.db2.gz XVHZMXWDMNYLCT-UHFFFAOYSA-N 0 3 317.345 2.067 20 5 DEBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601576301 360077141 /nfs/dbraw/zinc/07/71/41/360077141.db2.gz VEGHIRPZGCQEJB-NWDGAFQWSA-N 0 3 321.352 2.433 20 5 DEBDHN CN(C)c1cccc(CNCCc2ccc([N+](=O)[O-])cc2)n1 ZINC000602582401 360444116 /nfs/dbraw/zinc/44/41/16/360444116.db2.gz NWXSTNRELZULAA-UHFFFAOYSA-N 0 3 300.362 2.388 20 5 DEBDHN Cc1nocc1CNC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602674180 360490473 /nfs/dbraw/zinc/49/04/73/360490473.db2.gz FYAXYYYQKIHROJ-UHFFFAOYSA-N 0 3 317.349 2.045 20 5 DEBDHN Cc1c(NC(=O)N2CC[C@@]3(CCN(C)C3)C2)cccc1[N+](=O)[O-] ZINC000292796561 223250578 /nfs/dbraw/zinc/25/05/78/223250578.db2.gz NCIZMDPRBBNYPA-MRXNPFEDSA-N 0 3 318.377 2.463 20 5 DEBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000609023967 361277571 /nfs/dbraw/zinc/27/75/71/361277571.db2.gz HHAWUYYZXGDANP-ZDUSSCGKSA-N 0 3 320.393 2.024 20 5 DEBDHN C[C@@H](NC[C@@H]1CNc2ccnn2C1)c1ccccc1[N+](=O)[O-] ZINC000619264415 363750621 /nfs/dbraw/zinc/75/06/21/363750621.db2.gz DOSZACOSKKUXEF-VXGBXAGGSA-N 0 3 301.350 2.184 20 5 DEBDHN C[C@@H](NC(=O)N[C@H]1CCN(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000609640201 361332459 /nfs/dbraw/zinc/33/24/59/361332459.db2.gz AKMCKWORLQVPDG-YPMHNXCESA-N 0 3 318.377 2.192 20 5 DEBDHN CNc1ccc(C(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000610199248 361367049 /nfs/dbraw/zinc/36/70/49/361367049.db2.gz GQABDVZWNJYAII-BXUZGUMPSA-N 0 3 320.393 2.049 20 5 DEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000610368652 361390707 /nfs/dbraw/zinc/39/07/07/361390707.db2.gz RQYORQGBPKOZSB-COXVUDFISA-N 0 3 319.405 2.187 20 5 DEBDHN Cc1ccc(CNC[C@H](CO)Cc2ccco2)cc1[N+](=O)[O-] ZINC000610871105 361482640 /nfs/dbraw/zinc/48/26/40/361482640.db2.gz BAACKVSSSPLYBA-CQSZACIVSA-N 0 3 304.346 2.437 20 5 DEBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC=CCC1 ZINC000611517529 361619765 /nfs/dbraw/zinc/61/97/65/361619765.db2.gz LWRLOQUYBVDTQD-UHFFFAOYSA-N 0 3 303.318 2.155 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000275495005 212371573 /nfs/dbraw/zinc/37/15/73/212371573.db2.gz BWTJKPCUULOFFY-WFASDCNBSA-N 0 3 318.377 2.461 20 5 DEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000449172662 240157057 /nfs/dbraw/zinc/15/70/57/240157057.db2.gz WDDPVUXDZOUGHZ-ZNEHSRBWSA-N 0 3 317.389 2.125 20 5 DEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](C)C(=O)N1CCCC1 ZINC000449299973 240323579 /nfs/dbraw/zinc/32/35/79/240323579.db2.gz BXIAORGUSLSDPH-OLZOCXBDSA-N 0 3 305.378 2.126 20 5 DEBDHN COCCn1cc(CN[C@@H](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000449308803 240339443 /nfs/dbraw/zinc/33/94/43/240339443.db2.gz ZWKLNEIRKPRLPP-ZDUSSCGKSA-N 0 3 318.377 2.159 20 5 DEBDHN C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CCN1C ZINC000091437631 193056334 /nfs/dbraw/zinc/05/63/34/193056334.db2.gz RGSCNHSCPMJRNP-VHSXEESVSA-N 0 3 311.769 2.461 20 5 DEBDHN CO[C@H]1CCCC[C@H]1NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000275242617 212218550 /nfs/dbraw/zinc/21/85/50/212218550.db2.gz ORSMMIQXJOMCOK-CABCVRRESA-N 0 3 321.377 2.105 20 5 DEBDHN CCN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000019995343 182175409 /nfs/dbraw/zinc/17/54/09/182175409.db2.gz FYWQUESZFPOWSF-NSHDSACASA-N 0 3 311.769 2.462 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(NC[C@]2(N(C)C)CCSC2)c1 ZINC000267111855 205818758 /nfs/dbraw/zinc/81/87/58/205818758.db2.gz RGIPFJQRGIHFPY-CQSZACIVSA-N 0 3 311.407 2.453 20 5 DEBDHN O=[N+]([O-])c1cc(F)ccc1NC1CCN([C@@H]2CCOC2)CC1 ZINC000301723166 229852757 /nfs/dbraw/zinc/85/27/57/229852757.db2.gz OBYNJFWXTOFNAT-CYBMUJFWSA-N 0 3 309.341 2.399 20 5 DEBDHN CN(C)C[C@@H]1CCCN1C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000492164480 249009936 /nfs/dbraw/zinc/00/99/36/249009936.db2.gz RDYCYMXWLFOLFG-OWNNVSBGSA-N 0 3 321.352 2.300 20 5 DEBDHN CN1CC=C(CNC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000492326917 249041072 /nfs/dbraw/zinc/04/10/72/249041072.db2.gz DXGMCXOIWRDSBP-HYXAFXHYSA-N 0 3 319.336 2.125 20 5 DEBDHN CN(CCN(C)C1CC1)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000492715333 249122593 /nfs/dbraw/zinc/12/25/93/249122593.db2.gz ZABVMDJTWRWXNV-RMKNXTFCSA-N 0 3 303.362 2.161 20 5 DEBDHN CN(C)C/C=C\C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000493244129 249258132 /nfs/dbraw/zinc/25/81/32/249258132.db2.gz YTRJJPSTOBXPMZ-ZDTYVGOBSA-N 0 3 317.389 2.419 20 5 DEBDHN CCN1CCCC[C@H]1CNC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000110995078 194378940 /nfs/dbraw/zinc/37/89/40/194378940.db2.gz HJZVONDYERCTNV-LBPRGKRZSA-N 0 3 321.377 2.208 20 5 DEBDHN Cc1ccc([C@H](C)NC[C@@H](O)c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000268926070 207093462 /nfs/dbraw/zinc/09/34/62/207093462.db2.gz WFXLKSOGRMGUCU-XHDPSFHLSA-N 0 3 304.350 2.021 20 5 DEBDHN Cc1c([C@@H](C)N[C@H](C)CN2CCOCC2)cccc1[N+](=O)[O-] ZINC000156783985 197139899 /nfs/dbraw/zinc/13/98/99/197139899.db2.gz UODWBMYFGASHMJ-TZMCWYRMSA-N 0 3 307.394 2.275 20 5 DEBDHN C[C@@H]1CCN(CCNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000543642961 285300677 /nfs/dbraw/zinc/30/06/77/285300677.db2.gz UTHUGTXDJINSPW-SNVBAGLBSA-N 0 3 310.329 2.197 20 5 DEBDHN C[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl)N(C)C ZINC000289575769 221079759 /nfs/dbraw/zinc/07/97/59/221079759.db2.gz GZFRICDGIPNCBR-MRVPVSSYSA-N 0 3 300.746 2.320 20 5 DEBDHN Cc1cc(Cl)c(C(=O)NC[C@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC000294915417 224308542 /nfs/dbraw/zinc/30/85/42/224308542.db2.gz SRZGELTWAQKLKQ-SNVBAGLBSA-N 0 3 311.769 2.238 20 5 DEBDHN COC(=O)COc1ccc(CN(C)[C@@H](C)C2CC2)cc1[N+](=O)[O-] ZINC000355603339 133036816 /nfs/dbraw/zinc/03/68/16/133036816.db2.gz XOLUMEMZGAJPQQ-NSHDSACASA-N 0 3 322.361 2.377 20 5 DEBDHN COC(=O)COc1ccc(CN2C[C@H](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000355734023 133045099 /nfs/dbraw/zinc/04/50/99/133045099.db2.gz SVIQTEOPBHZGLA-TXEJJXNPSA-N 0 3 322.361 2.234 20 5 DEBDHN COc1ccc(CN2CC[C@H](c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000377890440 133350135 /nfs/dbraw/zinc/35/01/35/133350135.db2.gz VGZTXGZADLTHMQ-ZDUSSCGKSA-N 0 3 316.361 2.326 20 5 DEBDHN CCO[C@@H]1COCC[C@H]1N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563419758 292055779 /nfs/dbraw/zinc/05/57/79/292055779.db2.gz YWSADMUJIWLTMB-IIAWOOMASA-N 0 3 306.362 2.366 20 5 DEBDHN Cn1nncc1CN[C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000352591539 404478854 /nfs/dbraw/zinc/47/88/54/404478854.db2.gz TWDXWFOWGOGRLG-SWLSCSKDSA-N 0 3 315.377 2.224 20 5 DEBDHN C[C@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000193110419 145082161 /nfs/dbraw/zinc/08/21/61/145082161.db2.gz UGCLEGFXVFDJGN-WFASDCNBSA-N 0 3 317.345 2.080 20 5 DEBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000246524114 145105229 /nfs/dbraw/zinc/10/52/29/145105229.db2.gz RLXTZUDGQHLQAV-JSGCOSHPSA-N 0 3 303.362 2.151 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCN(C)C[C@H]2C)c1 ZINC000246733153 145112733 /nfs/dbraw/zinc/11/27/33/145112733.db2.gz HUCHPMHXAMPBDN-OCCSQVGLSA-N 0 3 305.378 2.315 20 5 DEBDHN Cc1ccc([C@@H](C)NCCN2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000246904853 145118984 /nfs/dbraw/zinc/11/89/84/145118984.db2.gz FOBIUPFVKSAETL-UONOGXRCSA-N 0 3 307.394 2.275 20 5 DEBDHN COc1cc(CN[C@@H]2CCC[C@H]2CCO)c([N+](=O)[O-])cc1F ZINC000348149981 146224476 /nfs/dbraw/zinc/22/44/76/146224476.db2.gz KFWGKNLOEZGRJB-GXFFZTMASA-N 0 3 312.341 2.383 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000370287738 148003481 /nfs/dbraw/zinc/00/34/81/148003481.db2.gz JJRNKHZJRJWVHM-HUUCEWRRSA-N 0 3 303.362 2.146 20 5 DEBDHN COc1cccc(CNCCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000565875912 292187874 /nfs/dbraw/zinc/18/78/74/292187874.db2.gz LUGORCGCHINREW-UHFFFAOYSA-N 0 3 303.318 2.167 20 5 DEBDHN CC[C@H](N[C@@H](C)CCS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000127360078 401731077 /nfs/dbraw/zinc/73/10/77/401731077.db2.gz QBZZBMHOOACSPS-FZMZJTMJSA-N 0 3 314.407 2.459 20 5 DEBDHN CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000112379882 401742346 /nfs/dbraw/zinc/74/23/46/401742346.db2.gz VJPPAJOEWGISTC-BMIGLBTASA-N 0 3 312.366 2.196 20 5 DEBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCN(C)C ZINC000127091798 401719864 /nfs/dbraw/zinc/71/98/64/401719864.db2.gz DNYZRRYLWZCELM-UHFFFAOYSA-N 0 3 311.407 2.340 20 5 DEBDHN COc1cc(C(=O)N(C)C[C@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000115439941 401827673 /nfs/dbraw/zinc/82/76/73/401827673.db2.gz UZQPZXUFEFVPTR-LBPRGKRZSA-N 0 3 321.377 2.017 20 5 DEBDHN COCCOC1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000116887099 401863457 /nfs/dbraw/zinc/86/34/57/401863457.db2.gz CGPZMBNGGXMLGO-UHFFFAOYSA-N 0 3 324.377 2.101 20 5 DEBDHN CCC[C@@H](NCCCS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000038047448 401921539 /nfs/dbraw/zinc/92/15/39/401921539.db2.gz LDHBAVOTUUWDIS-CQSZACIVSA-N 0 3 314.407 2.460 20 5 DEBDHN CN(CCc1ccccn1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136805780 401974061 /nfs/dbraw/zinc/97/40/61/401974061.db2.gz ZTJPIOQNEAYXCL-MRXNPFEDSA-N 0 3 301.346 2.198 20 5 DEBDHN O=C(NCC1CC1)[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000047978898 401991804 /nfs/dbraw/zinc/99/18/04/401991804.db2.gz ZMZLWBOPUJERPD-OAHLLOKOSA-N 0 3 317.389 2.333 20 5 DEBDHN CCN1CCC[C@@H]1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000044670849 401947108 /nfs/dbraw/zinc/94/71/08/401947108.db2.gz JCNCNFWOQMXXHV-LLVKDONJSA-N 0 3 311.769 2.462 20 5 DEBDHN COc1cc(C(=O)N(CCN(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000151871451 402062511 /nfs/dbraw/zinc/06/25/11/402062511.db2.gz KNVUOMSEGPMKTQ-UHFFFAOYSA-N 0 3 309.366 2.016 20 5 DEBDHN CN(C)C1(CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CCC1 ZINC000097929857 402133278 /nfs/dbraw/zinc/13/32/78/402133278.db2.gz BEDKZTHDWOZTDY-UHFFFAOYSA-N 0 3 311.769 2.462 20 5 DEBDHN CCCN(CCN(C)C)C(=O)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000123845803 402149905 /nfs/dbraw/zinc/14/99/05/402149905.db2.gz ABWHVQDYTFDUSA-UHFFFAOYSA-N 0 3 323.393 2.407 20 5 DEBDHN Cc1c(C(=O)N(C)CC2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000103453683 402189150 /nfs/dbraw/zinc/18/91/50/402189150.db2.gz CTISFAXENNJGSU-UHFFFAOYSA-N 0 3 305.378 2.317 20 5 DEBDHN CN(CC1CCN(C)CC1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000103450826 402189557 /nfs/dbraw/zinc/18/95/57/402189557.db2.gz DGZXPDXGEBMUIM-UHFFFAOYSA-N 0 3 309.341 2.148 20 5 DEBDHN CC(C)N(C)CC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000124106070 402164194 /nfs/dbraw/zinc/16/41/94/402164194.db2.gz RWNNSMWEPFEPLK-UHFFFAOYSA-N 0 3 307.394 2.374 20 5 DEBDHN Cc1c(CC(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000125178046 402217898 /nfs/dbraw/zinc/21/78/98/402217898.db2.gz CSYSEWCORUATEJ-WFASDCNBSA-N 0 3 319.405 2.244 20 5 DEBDHN CC[C@@H](C)[C@H](N)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000155435462 402257313 /nfs/dbraw/zinc/25/73/13/402257313.db2.gz YIDZRJGZVHYCAX-DOMZBBRYSA-N 0 3 307.394 2.407 20 5 DEBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000195621171 402273270 /nfs/dbraw/zinc/27/32/70/402273270.db2.gz ZCOOZKGLZPLYAU-OLZOCXBDSA-N 0 3 305.378 2.445 20 5 DEBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCN1CCCC1 ZINC000184654874 402288883 /nfs/dbraw/zinc/28/88/83/402288883.db2.gz JRKYHEGFTYAJGW-HNNXBMFYSA-N 0 3 319.405 2.376 20 5 DEBDHN Cc1nc2n(n1)C[C@@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000160415891 402344854 /nfs/dbraw/zinc/34/48/54/402344854.db2.gz GCMQWLNWZPOPKW-FZMZJTMJSA-N 0 3 315.377 2.469 20 5 DEBDHN C[C@H]1C[C@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000177038276 402362493 /nfs/dbraw/zinc/36/24/93/402362493.db2.gz USOMGHUSIPPUFM-VRPCIMHSSA-N 0 3 315.373 2.349 20 5 DEBDHN Cc1c(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000177198848 402380571 /nfs/dbraw/zinc/38/05/71/402380571.db2.gz DWJXUEWIHPUHOY-ZYHUDNBSSA-N 0 3 303.362 2.258 20 5 DEBDHN O=[N+]([O-])c1ccc(CN2CCC(Cn3cncn3)CC2)cc1 ZINC000186219156 402411897 /nfs/dbraw/zinc/41/18/97/402411897.db2.gz DKEDRDMEFMSIFD-UHFFFAOYSA-N 0 3 301.350 2.099 20 5 DEBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CCN(C)C ZINC000177679454 402426321 /nfs/dbraw/zinc/42/63/21/402426321.db2.gz JSVILCBJTHEKOQ-NSHDSACASA-N 0 3 311.407 2.095 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CCCN(C)C1 ZINC000163198287 402443881 /nfs/dbraw/zinc/44/38/81/402443881.db2.gz BQDSAXHXWAMLNY-GFCCVEGCSA-N 0 3 306.366 2.367 20 5 DEBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000247310083 402563034 /nfs/dbraw/zinc/56/30/34/402563034.db2.gz HJZSXYXAMAQODW-IINYFYTJSA-N 0 3 309.341 2.146 20 5 DEBDHN CNC(=O)[C@H]1CCCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182778367 402715818 /nfs/dbraw/zinc/71/58/18/402715818.db2.gz YZCVXOZWUCIJCU-OLZOCXBDSA-N 0 3 305.378 2.422 20 5 DEBDHN CC(C)CN(CCN(C)C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173549527 402702813 /nfs/dbraw/zinc/70/28/13/402702813.db2.gz HGRKFOZBNLXKSX-UHFFFAOYSA-N 0 3 307.394 2.184 20 5 DEBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000262776143 402731033 /nfs/dbraw/zinc/73/10/33/402731033.db2.gz KRJUBYKHPDOIGS-SRVKXCTJSA-N 0 3 323.418 2.284 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@]1(O)CCSC1)CCC2 ZINC000192927489 402756907 /nfs/dbraw/zinc/75/69/07/402756907.db2.gz CYWQQZSWOYYLGX-HUUCEWRRSA-N 0 3 308.403 2.430 20 5 DEBDHN CS[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1N(C)C ZINC000272102213 402897270 /nfs/dbraw/zinc/89/72/70/402897270.db2.gz ZXFRETNFRALCBO-ZIAGYGMSSA-N 0 3 313.398 2.211 20 5 DEBDHN COCCN1CC[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000273072642 402968462 /nfs/dbraw/zinc/96/84/62/402968462.db2.gz JRMLMOOKBUUOQG-LBPRGKRZSA-N 0 3 313.785 2.059 20 5 DEBDHN CC[C@@H](C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])N(C)C ZINC000272466538 402940705 /nfs/dbraw/zinc/94/07/05/402940705.db2.gz LPKFNRXZNKIZGL-LBPRGKRZSA-N 0 3 313.785 2.247 20 5 DEBDHN C[C@@H](CN1CCOCC1)N(C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000279474208 402946520 /nfs/dbraw/zinc/94/65/20/402946520.db2.gz SONKRMLELITDRI-ZKKXHLJNSA-N 0 3 319.405 2.261 20 5 DEBDHN C[C@H](N[C@H]1CCC[C@@H]1CCO)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000279217396 402917102 /nfs/dbraw/zinc/91/71/02/402917102.db2.gz HRQFAWZLZDWSFZ-ZOWXZIJZSA-N 0 3 321.377 2.063 20 5 DEBDHN CN1CC[C@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000272370778 402928825 /nfs/dbraw/zinc/92/88/25/402928825.db2.gz GOPVWHLRLWCAEX-FZMZJTMJSA-N 0 3 304.350 2.153 20 5 DEBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N(C)CCCN1CCN(C)CC1 ZINC000266891565 402997477 /nfs/dbraw/zinc/99/74/77/402997477.db2.gz DAKHVQZXHYZEJE-HNNXBMFYSA-N 0 3 320.437 2.225 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)c1 ZINC000268234728 403064581 /nfs/dbraw/zinc/06/45/81/403064581.db2.gz SVYVACOYXMSWME-FZMZJTMJSA-N 0 3 303.362 2.116 20 5 DEBDHN Cc1c(CC(=O)N2CCCN(C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000269655873 403154262 /nfs/dbraw/zinc/15/42/62/403154262.db2.gz FJQXHZTVUNHCHN-UHFFFAOYSA-N 0 3 319.405 2.388 20 5 DEBDHN CCN1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000277368861 403210382 /nfs/dbraw/zinc/21/03/82/403210382.db2.gz CWKYXCHHJIFPMP-ZDUSSCGKSA-N 0 3 321.377 2.208 20 5 DEBDHN CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H]2CC[C@@H](C1)N2C ZINC000283703067 403216526 /nfs/dbraw/zinc/21/65/26/403216526.db2.gz CRESOOPTMROSHX-OCCSQVGLSA-N 0 3 303.362 2.470 20 5 DEBDHN C[C@@H](NCC[S@](=O)C(C)(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284313406 403262081 /nfs/dbraw/zinc/26/20/81/403262081.db2.gz ZIYSPGQMOXYHHX-UZJPJQLHSA-N 0 3 313.423 2.375 20 5 DEBDHN C[C@@H](O)[C@H]1C[C@H](C)CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000331292417 403371539 /nfs/dbraw/zinc/37/15/39/403371539.db2.gz QADCTTAZPOCHDJ-UMVBOHGHSA-N 0 3 308.378 2.455 20 5 DEBDHN CN(C[C@H]1CCCN1C)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000331603371 403428871 /nfs/dbraw/zinc/42/88/71/403428871.db2.gz CYWYJHIQNCMQBI-GFCCVEGCSA-N 0 3 316.361 2.242 20 5 DEBDHN CC(C)[C@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000293218939 403418405 /nfs/dbraw/zinc/41/84/05/403418405.db2.gz RPXHQIDXYWTXCG-HZPDHXFCSA-N 0 3 308.378 2.375 20 5 DEBDHN CC(C)[C@@H]1CN(C)CCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332263599 403533679 /nfs/dbraw/zinc/53/36/79/403533679.db2.gz TZKNWBKDRKCMNP-HNNXBMFYSA-N 0 3 317.393 2.243 20 5 DEBDHN C[C@@H]1[C@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CCCN1C ZINC000343455849 403597246 /nfs/dbraw/zinc/59/72/46/403597246.db2.gz JVQIASYHOJZFLC-ZYHUDNBSSA-N 0 3 318.377 2.374 20 5 DEBDHN COC(=O)[C@@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000347320309 403662865 /nfs/dbraw/zinc/66/28/65/403662865.db2.gz WTEJJVXNQYQVTQ-RCOIXESOSA-N 0 3 304.346 2.491 20 5 DEBDHN O=[N+]([O-])c1ccc(NC2CCN([C@H]3CCOC3)CC2)c(F)c1 ZINC000301699579 403666752 /nfs/dbraw/zinc/66/67/52/403666752.db2.gz CUHQDZWQOYHTJZ-ZDUSSCGKSA-N 0 3 309.341 2.399 20 5 DEBDHN CCN1CCC(Nc2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000347401992 403696635 /nfs/dbraw/zinc/69/66/35/403696635.db2.gz FKCJBUWKWKGFFZ-UHFFFAOYSA-N 0 3 301.350 2.434 20 5 DEBDHN CC1(C)CCCN(CCNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000347430719 403706791 /nfs/dbraw/zinc/70/67/91/403706791.db2.gz AYYYGROAUATULI-UHFFFAOYSA-N 0 3 319.405 2.376 20 5 DEBDHN CC[C@H](C)N1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000295182178 403786942 /nfs/dbraw/zinc/78/69/42/403786942.db2.gz HQEVWPOMXJVHBO-LBPRGKRZSA-N 0 3 322.365 2.419 20 5 DEBDHN COc1ccc(-c2ccc(CN3CC[C@@H](O)C3)o2)c([N+](=O)[O-])c1 ZINC000305727993 403921692 /nfs/dbraw/zinc/92/16/92/403921692.db2.gz JCHBVKCFCPJJTF-LLVKDONJSA-N 0 3 318.329 2.430 20 5 DEBDHN CCN(CCOCCO)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000337386713 403987894 /nfs/dbraw/zinc/98/78/94/403987894.db2.gz LSJOKIWRKSUZIS-SDNWHVSQSA-N 0 3 308.378 2.329 20 5 DEBDHN CCN1CCN([C@@H](C)CNc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000341529977 404018440 /nfs/dbraw/zinc/01/84/40/404018440.db2.gz JFPSXSBIIPRYFR-LBPRGKRZSA-N 0 3 310.373 2.172 20 5 DEBDHN O=[N+]([O-])c1ccc(CNCCc2cn3c(n2)SCC3)c(F)c1 ZINC000341558387 404033302 /nfs/dbraw/zinc/03/33/02/404033302.db2.gz OPEKHGMCPYUYJA-UHFFFAOYSA-N 0 3 322.365 2.368 20 5 DEBDHN C[C@@H](O)c1ncc(CNCCc2ccc([N+](=O)[O-])cc2)s1 ZINC000290121887 404050571 /nfs/dbraw/zinc/05/05/71/404050571.db2.gz PCJCAPALTOHDPG-SNVBAGLBSA-N 0 3 307.375 2.437 20 5 DEBDHN CCn1cc([C@@H](C)NC[C@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000296121667 404103839 /nfs/dbraw/zinc/10/38/39/404103839.db2.gz QYBWZWBHSAMGPM-ABAIWWIYSA-N 0 3 304.350 2.195 20 5 DEBDHN C[C@@H](NC(=O)C12CCCN1CCC2)c1ccccc1[N+](=O)[O-] ZINC000290330805 404128402 /nfs/dbraw/zinc/12/84/02/404128402.db2.gz JKJOTFRVXURSKF-GFCCVEGCSA-N 0 3 303.362 2.400 20 5 DEBDHN Cn1cc(C[C@H]2CCN(Cc3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000370010448 404303011 /nfs/dbraw/zinc/30/30/11/404303011.db2.gz MMKJUPHCFLULQU-CQSZACIVSA-N 0 3 300.362 2.393 20 5 DEBDHN COc1ccc(CN[C@H](C2CC2)C(C)(C)CO)cc1[N+](=O)[O-] ZINC000290774605 404307274 /nfs/dbraw/zinc/30/72/74/404307274.db2.gz CLNQUCYMGTVAOD-OAHLLOKOSA-N 0 3 308.378 2.490 20 5 DEBDHN COc1cccc(CCNCc2ccc([N+](=O)[O-])cc2F)n1 ZINC000350285887 404360465 /nfs/dbraw/zinc/36/04/65/404360465.db2.gz IXOCKZYWVOQDBW-UHFFFAOYSA-N 0 3 305.309 2.470 20 5 DEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCC(=O)NCC1CC1 ZINC000344834049 404395276 /nfs/dbraw/zinc/39/52/76/404395276.db2.gz POKWPXKUMSFXHE-GHXNOFRVSA-N 0 3 303.362 2.114 20 5 DEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@H]1CCS(=O)(=O)C1 ZINC000344841891 404399318 /nfs/dbraw/zinc/39/93/18/404399318.db2.gz DVPSGKQPMLOABL-WEKMIXOTSA-N 0 3 324.402 2.022 20 5 DEBDHN Cc1cc(NC(=O)N2CC[C@@]3(CCN(C)C3)C2)ccc1[N+](=O)[O-] ZINC000296989414 404402561 /nfs/dbraw/zinc/40/25/61/404402561.db2.gz YIEWISOZIWMIFR-MRXNPFEDSA-N 0 3 318.377 2.463 20 5 DEBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000356421846 404512348 /nfs/dbraw/zinc/51/23/48/404512348.db2.gz JHORLTKPIDDHJJ-HZMBPMFUSA-N 0 3 309.341 2.146 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CCNC[C@](C)(F)C1 ZINC000414774009 404730649 /nfs/dbraw/zinc/73/06/49/404730649.db2.gz XVFBQBMXSRUCQM-HNNXBMFYSA-N 0 3 311.357 2.127 20 5 DEBDHN CCCN(CCN1CCCCC1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000353351307 404810552 /nfs/dbraw/zinc/81/05/52/404810552.db2.gz KNJFIXIUGFKGMR-UHFFFAOYSA-N 0 3 308.382 2.261 20 5 DEBDHN C[C@@H](N[C@@H]1CCN(c2cnn(C)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000360888863 404845419 /nfs/dbraw/zinc/84/54/19/404845419.db2.gz JUDNIOLMVYSGTI-TZMCWYRMSA-N 0 3 315.377 2.258 20 5 DEBDHN CN1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000435236913 404963386 /nfs/dbraw/zinc/96/33/86/404963386.db2.gz VJRDZPMFMXMGKC-UHFFFAOYSA-N 0 3 315.320 2.334 20 5 DEBDHN CN1C[C@@H]2CCCN(C(=O)Nc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000424111907 405009762 /nfs/dbraw/zinc/00/97/62/405009762.db2.gz IHKFMYWXVMVKSG-SMDDNHRTSA-N 0 3 304.350 2.153 20 5 DEBDHN Cc1c(C(=O)Nc2cnc3c(c2)CNCC3)cccc1[N+](=O)[O-] ZINC000367377393 405031028 /nfs/dbraw/zinc/03/10/28/405031028.db2.gz FEHLFKBDVDPBSP-UHFFFAOYSA-N 0 3 312.329 2.196 20 5 DEBDHN COc1ccc(-c2ccc(CN[C@@H]3CC[C@H]3O)o2)c([N+](=O)[O-])c1 ZINC000424203111 405038351 /nfs/dbraw/zinc/03/83/51/405038351.db2.gz QNDIHDDKOHFTSJ-UKRRQHHQSA-N 0 3 318.329 2.476 20 5 DEBDHN O=[N+]([O-])c1ccc(CCN2CCC(O[C@H]3CCOC3)CC2)cc1 ZINC000361425587 405070495 /nfs/dbraw/zinc/07/04/95/405070495.db2.gz OHDBMEBWYDVBQR-KRWDZBQOSA-N 0 3 320.389 2.407 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(=O)n1CCN(C)Cc1ccccc1 ZINC000418960343 405215881 /nfs/dbraw/zinc/21/58/81/405215881.db2.gz ISFCXMBFOQIMMK-UHFFFAOYSA-N 0 3 301.346 2.197 20 5 DEBDHN O=[N+]([O-])c1ccn(CCN2CC3(CCC3)[C@@H]2C2CCOCC2)n1 ZINC000425556676 405302767 /nfs/dbraw/zinc/30/27/67/405302767.db2.gz VGVRWBMDJSOXJZ-HNNXBMFYSA-N 0 3 320.393 2.072 20 5 DEBDHN CC/C=C\CNCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000449460348 405570540 /nfs/dbraw/zinc/57/05/40/405570540.db2.gz RNMPSHOQXYQBFF-PLNGDYQASA-N 0 3 308.334 2.202 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000457078068 405682693 /nfs/dbraw/zinc/68/26/93/405682693.db2.gz AOTAGASPOGRPHA-ZDUSSCGKSA-N 0 3 305.378 2.458 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCN(C(C)C)C2)c1 ZINC000457106175 405701183 /nfs/dbraw/zinc/70/11/83/405701183.db2.gz DAXOYNSIEGAOMX-ZDUSSCGKSA-N 0 3 305.378 2.458 20 5 DEBDHN CC(C)N1CC[C@@H](N(C)C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000457107931 405703963 /nfs/dbraw/zinc/70/39/63/405703963.db2.gz FOIBLZQNRWRSBY-OAHLLOKOSA-N 0 3 305.378 2.078 20 5 DEBDHN Cc1cccc(C(=O)N(C)[C@@H]2CCN(C(C)C)C2)c1[N+](=O)[O-] ZINC000457136270 405719418 /nfs/dbraw/zinc/71/94/18/405719418.db2.gz WTSOCQZQZODWRB-CYBMUJFWSA-N 0 3 305.378 2.458 20 5 DEBDHN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCCN(C)CC1 ZINC000450210344 405779061 /nfs/dbraw/zinc/77/90/61/405779061.db2.gz GNRHSAAVHYODOD-UHFFFAOYSA-N 0 3 316.361 2.294 20 5 DEBDHN CC[C@@H](C)NC(=O)CCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000519180647 406185398 /nfs/dbraw/zinc/18/53/98/406185398.db2.gz ZJNFNQDKBPRZHT-BXUZGUMPSA-N 0 3 305.378 2.477 20 5 DEBDHN CN1CC[C@@H](C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000536552280 406264691 /nfs/dbraw/zinc/26/46/91/406264691.db2.gz PZLWZRDDHPGMPJ-IUODEOHRSA-N 0 3 321.402 2.121 20 5 DEBDHN C[C@H]1C[C@H]1N1CCN(c2ccc([N+](=O)[O-])c(N)c2F)C[C@@H](C)C1 ZINC000488717605 406340566 /nfs/dbraw/zinc/34/05/66/406340566.db2.gz FAZRINLMFNXNIT-UHIISALHSA-N 0 3 322.384 2.483 20 5 DEBDHN CCc1nncn1CCN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000545264803 406309010 /nfs/dbraw/zinc/30/90/10/406309010.db2.gz SMWZLJGOZJBPSY-LBPRGKRZSA-N 0 3 303.366 2.408 20 5 DEBDHN C[C@@H]1CCN(C)CCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000491829030 406739864 /nfs/dbraw/zinc/73/98/64/406739864.db2.gz WRNAYQCGRZWARK-DMTLFAOVSA-N 0 3 303.362 2.161 20 5 DEBDHN C[C@H]1CCN(CCNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000491917298 406777923 /nfs/dbraw/zinc/77/79/23/406777923.db2.gz YECBVIPGEQXGDJ-GFUIURDCSA-N 0 3 303.362 2.066 20 5 DEBDHN C[C@@H]1CCN(CCNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000491940677 406784643 /nfs/dbraw/zinc/78/46/43/406784643.db2.gz RBSPHOIRKZWNNK-LLPBQKLSSA-N 0 3 303.362 2.066 20 5 DEBDHN COc1cccc(C(=O)NCCN2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000195426595 225205352 /nfs/dbraw/zinc/20/53/52/225205352.db2.gz WJMRGFOWBZWJJQ-LBPRGKRZSA-N 0 3 321.377 2.065 20 5 DEBDHN O=C1CC[C@H](CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)CCN1 ZINC000296810359 226236994 /nfs/dbraw/zinc/23/69/94/226236994.db2.gz QAIFFHTYHGLMMN-ZDUSSCGKSA-N 0 3 317.389 2.476 20 5 DEBDHN CCN1CCN(CCNc2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000291011106 222071170 /nfs/dbraw/zinc/07/11/70/222071170.db2.gz UYNRGRQXIMHTPT-UHFFFAOYSA-N 0 3 310.373 2.092 20 5 DEBDHN CN(C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C1CCN(C)CC1 ZINC000413024246 228264634 /nfs/dbraw/zinc/26/46/34/228264634.db2.gz MGTYRMAXKGTIAI-JKSUJKDBSA-N 0 3 317.389 2.251 20 5 DEBDHN Cc1ccc([C@H](C)NC(=O)N2CCN[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000417859653 229128136 /nfs/dbraw/zinc/12/81/36/229128136.db2.gz WWKBRJAPMJQLMG-AGIUHOORSA-N 0 3 320.393 2.356 20 5 DEBDHN CC(C)Oc1nc(N[C@H](C)C2=CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000580785109 424970279 /nfs/dbraw/zinc/97/02/79/424970279.db2.gz OPWIQXHJPFVTPK-GFCCVEGCSA-N 0 3 320.393 2.839 20 5 DEBDHN Cc1ccc([C@H](CNc2ccc(N)c([N+](=O)[O-])n2)N(C)C)cc1 ZINC000590575308 424997946 /nfs/dbraw/zinc/99/79/46/424997946.db2.gz KAMYUVGYURZDDY-AWEZNQCLSA-N 0 3 315.377 2.595 20 5 DEBDHN O=[N+]([O-])c1cccc(CNC[C@@H]2CCCN2c2cccnn2)c1 ZINC000363466780 269064781 /nfs/dbraw/zinc/06/47/81/269064781.db2.gz DPOLZHSBCKIOOI-HNNXBMFYSA-N 0 3 313.361 2.143 20 5 DEBDHN CS(=O)(=O)CCCCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000424169121 269116243 /nfs/dbraw/zinc/11/62/43/269116243.db2.gz HHTKSSVNCDXFPI-UHFFFAOYSA-N 0 3 320.798 2.163 20 5 DEBDHN CCN1CCC[C@@H]1CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429936008 269122212 /nfs/dbraw/zinc/12/22/12/269122212.db2.gz KEEFKQGBLRSJOM-CYBMUJFWSA-N 0 3 319.405 2.473 20 5 DEBDHN C[C@H](N[C@H]1CSC[C@@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000507271884 269316233 /nfs/dbraw/zinc/31/62/33/269316233.db2.gz IXPXBRXKBSQWCA-KWBADKCTSA-N 0 3 309.391 2.263 20 5 DEBDHN C[C@H](C(=O)N1CC[C@H]2CCN(C)C[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000517065162 269375884 /nfs/dbraw/zinc/37/58/84/269375884.db2.gz PLDNFFJMTLHHBS-ZENOOKHLSA-N 0 3 317.389 2.251 20 5 DEBDHN CNc1ccc(C(=O)NC[C@@H](CC(C)C)N(C)C)cc1[N+](=O)[O-] ZINC000522265206 269460011 /nfs/dbraw/zinc/46/00/11/269460011.db2.gz OPICCEHOYJXDNU-CYBMUJFWSA-N 0 3 322.409 2.343 20 5 DEBDHN CC1(C)C[C@H](N[C@H]2CCC(=O)NC2)c2cc([N+](=O)[O-])ccc21 ZINC000433127088 273589674 /nfs/dbraw/zinc/58/96/74/273589674.db2.gz QYZNEYQGFHQBAO-HZMBPMFUSA-N 0 3 303.362 2.185 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1N1CC[C@@H](N3CC=CC3)C1)CCN2 ZINC000278456523 275038648 /nfs/dbraw/zinc/03/86/48/275038648.db2.gz SGBQKLBUTBRIFP-GFCCVEGCSA-N 0 3 300.362 2.013 20 5 DEBDHN COCC(C)(C)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000426399557 277196570 /nfs/dbraw/zinc/19/65/70/277196570.db2.gz AMWWXQKXCNNKSM-GFCCVEGCSA-N 0 3 308.382 2.149 20 5 DEBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000245721438 278259461 /nfs/dbraw/zinc/25/94/61/278259461.db2.gz OTWNESZDVWKJTC-RYUDHWBXSA-N 0 3 320.393 2.027 20 5 DEBDHN C[C@H](NC[C@@H]1COC2(CCOCC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000182342699 279479109 /nfs/dbraw/zinc/47/91/09/279479109.db2.gz SACSQXFJWZKJBB-SWLSCSKDSA-N 0 3 322.361 2.168 20 5 DEBDHN O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@@H]1CN1CCCC1 ZINC000299279291 280236722 /nfs/dbraw/zinc/23/67/22/280236722.db2.gz QIFZJZNPFKLTII-GFCCVEGCSA-N 0 3 309.391 2.357 20 5 DEBDHN Cc1c(NC(=O)N2C[C@H]3CCN(C)[C@H]3C2)cccc1[N+](=O)[O-] ZINC000576590796 326304694 /nfs/dbraw/zinc/30/46/94/326304694.db2.gz BWIUUDQAPSJQIT-RISCZKNCSA-N 0 3 304.350 2.071 20 5 DEBDHN C[C@@H](CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000576773419 326318445 /nfs/dbraw/zinc/31/84/45/326318445.db2.gz HLNIYRVUQIIJMP-STQMWFEESA-N 0 3 305.378 2.299 20 5 DEBDHN C[C@H](NC1CC1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000295801497 533796647 /nfs/dbraw/zinc/79/66/47/533796647.db2.gz SRMKLZQJLHIQBZ-NSHDSACASA-N 0 3 303.362 2.226 20 5 DEBDHN CCOCCO[C@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000157774005 520033136 /nfs/dbraw/zinc/03/31/36/520033136.db2.gz NFWTWKHRSOVEKK-INIZCTEOSA-N 0 3 308.378 2.265 20 5 DEBDHN CN(CCOc1ccc(Cl)cc1)CCn1cc([N+](=O)[O-])cn1 ZINC000157384667 522906994 /nfs/dbraw/zinc/90/69/94/522906994.db2.gz ZBTKAIJKBSLGAO-UHFFFAOYSA-N 0 3 324.768 2.456 20 5 DEBDHN COc1ccc(OCCN2CCC[C@H](C)[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000338165838 524955185 /nfs/dbraw/zinc/95/51/85/524955185.db2.gz JOUPJAXDTGFFQC-WFASDCNBSA-N 0 3 324.377 2.075 20 5 DEBDHN C[C@H](N[C@H]1CCO[C@H]1C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000365192540 525625802 /nfs/dbraw/zinc/62/58/02/525625802.db2.gz QQOZTVSWLUEGPU-LKTVYLICSA-N 0 3 319.361 2.079 20 5 DEBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000249748924 527314843 /nfs/dbraw/zinc/31/48/43/527314843.db2.gz PDDUHQCFKXZUNE-NEPJUHHUSA-N 0 3 320.393 2.148 20 5 DEBDHN CCN(C)C(=O)[C@@H](N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(C)C ZINC000295861550 527766166 /nfs/dbraw/zinc/76/61/66/527766166.db2.gz BODQBEZXHVBHEG-ABAIWWIYSA-N 0 3 322.409 2.331 20 5 DEBDHN CCC[C@H](O)[C@@H](CO)NC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000419826144 528293978 /nfs/dbraw/zinc/29/39/78/528293978.db2.gz QOCUIDJQVBHYDA-GECXOHMQSA-N 0 3 308.378 2.110 20 5 DEBDHN CC(C)[C@@]1(CO)CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000292985051 528894237 /nfs/dbraw/zinc/89/42/37/528894237.db2.gz HQUPKCNLKFYBRA-IRXDYDNUSA-N 0 3 322.405 2.359 20 5 DEBDHN COC(=O)[C@]12CCC[C@H]1CN(Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000373306794 536841361 /nfs/dbraw/zinc/84/13/61/536841361.db2.gz VXNYNWGEKDMEST-BBRMVZONSA-N 0 3 304.346 2.370 20 5 DEBDHN C[C@@H]1C[C@H](Nc2c([N+](=O)[O-])cnn2C)CN1Cc1ccccc1 ZINC000892899010 625697109 /nfs/dbraw/zinc/69/71/09/625697109.db2.gz IDDREEBTFKVYBE-OCCSQVGLSA-N 0 3 315.377 2.403 20 5 DEBDHN Cn1ncc([N+](=O)[O-])c1NC1CCN(Cc2ccccc2)CC1 ZINC000891419747 624157437 /nfs/dbraw/zinc/15/74/37/624157437.db2.gz QJVULKQKCDCVQI-UHFFFAOYSA-N 0 3 315.377 2.405 20 5 DEBDHN CCn1cc([N+](=O)[O-])c(C(=O)OC[C@H]2CCCCN2C(C)C)n1 ZINC000837666649 650243140 /nfs/dbraw/zinc/24/31/40/650243140.db2.gz VDNUCXSBHWZLOF-GFCCVEGCSA-N 0 3 324.381 2.231 20 5 DEBDHN O=C(N[C@H]1C[C@H](CNCc2csc([N+](=O)[O-])c2)C1)C1CCC1 ZINC000982964187 636558331 /nfs/dbraw/zinc/55/83/31/636558331.db2.gz LCCPTAXNQBAORA-MJHDQNEOSA-N 0 3 323.418 2.441 20 5 DEBDHN C[C@H](NC(=O)N(C)[C@H]1CCCN(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000895067862 637473108 /nfs/dbraw/zinc/47/31/08/637473108.db2.gz XIPCIDNZLGFJNP-WFASDCNBSA-N 0 3 320.393 2.391 20 5 DEBDHN C[C@@H](N[C@@H]1CCCC(F)(F)[C@H]1O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840886286 650371160 /nfs/dbraw/zinc/37/11/60/650371160.db2.gz AITRSRZPWOWYJW-DYLAAIIWSA-N 0 3 315.320 2.376 20 5 DEBDHN C[C@H]1CCN(CCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000744802648 638248061 /nfs/dbraw/zinc/24/80/61/638248061.db2.gz SYUGRIDDRMBUSH-JTQLQIEISA-N 0 3 311.769 2.320 20 5 DEBDHN COc1c(O)ccc(CNC[C@@H]2CC3(CCC3)CO2)c1[N+](=O)[O-] ZINC000896052273 638334260 /nfs/dbraw/zinc/33/42/60/638334260.db2.gz SALLABTWUNBKHS-LBPRGKRZSA-N 0 3 322.361 2.358 20 5 DEBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CNCCC2(F)F)cc1Cl ZINC000841078030 650423918 /nfs/dbraw/zinc/42/39/18/650423918.db2.gz DROZUZMSLGUQIQ-LLVKDONJSA-N 0 3 305.712 2.335 20 5 DEBDHN Cc1nc([C@H]2CCN(Cc3ccc([N+](=O)[O-])c(F)c3)C2)n[nH]1 ZINC000839658350 639781177 /nfs/dbraw/zinc/78/11/77/639781177.db2.gz FCLSZBUOSGQZEX-NSHDSACASA-N 0 3 305.313 2.150 20 5 DEBDHN Cc1n[nH]c([C@H]2CCN(Cc3ccc([N+](=O)[O-])c(F)c3)C2)n1 ZINC000839658350 639781181 /nfs/dbraw/zinc/78/11/81/639781181.db2.gz FCLSZBUOSGQZEX-NSHDSACASA-N 0 3 305.313 2.150 20 5 DEBDHN Cc1nnc([C@H]2CCN(Cc3ccc([N+](=O)[O-])c(F)c3)C2)[nH]1 ZINC000839658350 639781185 /nfs/dbraw/zinc/78/11/85/639781185.db2.gz FCLSZBUOSGQZEX-NSHDSACASA-N 0 3 305.313 2.150 20 5 DEBDHN C[C@@H](CCNCc1ccc([N+](=O)[O-])c(Cl)c1)[S@@](C)=O ZINC000761533500 640322417 /nfs/dbraw/zinc/32/24/17/640322417.db2.gz RAFJTBSXGHEPJK-ZRNGKTOUSA-N 0 3 304.799 2.495 20 5 DEBDHN C[C@H]1[C@@H](NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCN1C ZINC000925308576 640775744 /nfs/dbraw/zinc/77/57/44/640775744.db2.gz RQZFGEMJZRKOAC-KWQFWETISA-N 0 3 312.757 2.462 20 5 DEBDHN C[C@@H]1[C@H](NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCN1C ZINC000925308579 640776200 /nfs/dbraw/zinc/77/62/00/640776200.db2.gz RQZFGEMJZRKOAC-LDYMZIIASA-N 0 3 312.757 2.462 20 5 DEBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNCC[C@H](O)C2CC2)c1 ZINC000898205565 641046696 /nfs/dbraw/zinc/04/66/96/641046696.db2.gz FDLCLUYAGBCTBI-LBPRGKRZSA-N 0 3 316.304 2.447 20 5 DEBDHN C[C@@H](CC[S@@](C)=O)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000128160582 641601711 /nfs/dbraw/zinc/60/17/11/641601711.db2.gz AOEYGICBGKNOHD-UGZDLDLSSA-N 0 3 304.799 2.495 20 5 DEBDHN COC(=O)C[C@@H]1CCCCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582554 642188687 /nfs/dbraw/zinc/18/86/87/642188687.db2.gz VFGONLZDQNAQSB-GJZGRUSLSA-N 0 3 322.361 2.046 20 5 DEBDHN CN(CCc1nccs1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776593317 642190038 /nfs/dbraw/zinc/19/00/38/642190038.db2.gz GWIQOFMRVONWRD-CYBMUJFWSA-N 0 3 307.375 2.259 20 5 DEBDHN Cc1ccsc1[C@@H](CO)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000778165950 642346696 /nfs/dbraw/zinc/34/66/96/642346696.db2.gz VLBNBICWRWTNJL-KGLIPLIRSA-N 0 3 322.386 2.321 20 5 DEBDHN NC(=O)[C@H]1CCCC[C@@H]1NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000782534350 642892848 /nfs/dbraw/zinc/89/28/48/642892848.db2.gz ACJJOFKVTBQDCR-RYUDHWBXSA-N 0 3 311.769 2.382 20 5 DEBDHN O=[N+]([O-])c1ccc(N2CCN(CC[C@@H]3CCOC3)CC2)cc1 ZINC000783506723 643012774 /nfs/dbraw/zinc/01/27/74/643012774.db2.gz NJPKFAGTGCHXKJ-CQSZACIVSA-N 0 3 305.378 2.143 20 5 DEBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000902825602 643152460 /nfs/dbraw/zinc/15/24/60/643152460.db2.gz QKOJPVOTFAHDEP-GXTWGEPZSA-N 0 3 304.350 2.295 20 5 DEBDHN COc1cc([C@H](C)NC[C@H](O)COCC2CC2)cc([N+](=O)[O-])c1 ZINC000903086363 643244046 /nfs/dbraw/zinc/24/40/46/643244046.db2.gz NMPSZOQMPUSPPF-NHYWBVRUSA-N 0 3 324.377 2.042 20 5 DEBDHN COc1cc([C@@H](C)NC[C@]2(OC)CCOC2)cc([N+](=O)[O-])c1 ZINC000903151764 643275037 /nfs/dbraw/zinc/27/50/37/643275037.db2.gz JWHXZCPHMRZTNF-IAQYHMDHSA-N 0 3 310.350 2.060 20 5 DEBDHN COc1cc([C@@H](C)NCC2([S@](C)=O)CC2)cc([N+](=O)[O-])c1 ZINC000903166708 643279562 /nfs/dbraw/zinc/27/95/62/643279562.db2.gz DDGLADITOTZVGT-UZJPJQLHSA-N 0 3 312.391 2.165 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1-c1noc(C[C@H]2CSCCN2)n1 ZINC000843187476 650921783 /nfs/dbraw/zinc/92/17/83/650921783.db2.gz QOBFISRAWMCYGV-JTQLQIEISA-N 0 3 320.374 2.201 20 5 DEBDHN CCN1CCCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)[C@H](C)C1 ZINC000910294458 645407357 /nfs/dbraw/zinc/40/73/57/645407357.db2.gz GWRDTZABOHLWLS-CYBMUJFWSA-N 0 3 305.378 2.460 20 5 DEBDHN CN(C)C1(C(=O)N(C)CCc2ccccc2[N+](=O)[O-])CCC1 ZINC000804176442 645736573 /nfs/dbraw/zinc/73/65/73/645736573.db2.gz OIXUOVCANGQMJG-UHFFFAOYSA-N 0 3 305.378 2.080 20 5 DEBDHN Cc1nn(CN2C[C@@H](C)N(C)[C@@H](C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000840090286 645940258 /nfs/dbraw/zinc/94/02/58/645940258.db2.gz NYSUTADCQQOORZ-TXEJJXNPSA-N 0 3 317.393 2.235 20 5 DEBDHN Cc1cc(F)cc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)c1[N+](=O)[O-] ZINC000151091270 646262121 /nfs/dbraw/zinc/26/21/21/646262121.db2.gz PGSJWGURFIUQIA-OLZOCXBDSA-N 0 3 321.352 2.351 20 5 DEBDHN Cc1oc(-c2cccs2)nc1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813103403 646728421 /nfs/dbraw/zinc/72/84/21/646728421.db2.gz PVSRGLJUYZPKKK-MRVPVSSYSA-N 0 3 310.331 2.462 20 5 DEBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1-c1cccc(C)c1 ZINC000813102031 646728872 /nfs/dbraw/zinc/72/88/72/646728872.db2.gz NKANVYLDRFIUJL-NSHDSACASA-N 0 3 303.318 2.311 20 5 DEBDHN CC(COC(=O)Cc1cccc(OCC(F)(F)F)c1)[N+](=O)[O-] ZINC000813111583 646731386 /nfs/dbraw/zinc/73/13/86/646731386.db2.gz VIMGYVHDQRTBBW-SECBINFHSA-N 0 3 321.251 2.379 20 5 DEBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1-c1ccccc1C ZINC000813112567 646731480 /nfs/dbraw/zinc/73/14/80/646731480.db2.gz IMTHSAROUBNNOU-NSHDSACASA-N 0 3 303.318 2.311 20 5 DEBDHN CCOc1cccc2[nH]cc(CC(=O)OCC(C)[N+](=O)[O-])c21 ZINC000813113666 646732939 /nfs/dbraw/zinc/73/29/39/646732939.db2.gz SIXIXEUYAOKLNR-SNVBAGLBSA-N 0 3 306.318 2.318 20 5 DEBDHN CC(C)[C@@H]1CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000815313147 647000619 /nfs/dbraw/zinc/00/06/19/647000619.db2.gz WPVBCJAUSQJGBE-HOTGVXAUSA-N 0 3 308.378 2.375 20 5 DEBDHN Cc1cc(F)cc(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)c1[N+](=O)[O-] ZINC000152948503 647303569 /nfs/dbraw/zinc/30/35/69/647303569.db2.gz SAFNBCFCCKAZIQ-ZYHUDNBSSA-N 0 3 321.352 2.397 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCN1CCC[C@@H]1C ZINC000817751800 647354566 /nfs/dbraw/zinc/35/45/66/647354566.db2.gz JKEWYEZXHNZSRP-ZDUSSCGKSA-N 0 3 305.378 2.426 20 5 DEBDHN CCc1cnccc1CNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819214931 647610080 /nfs/dbraw/zinc/61/00/80/647610080.db2.gz ZASDZDXZPOFJHF-INIZCTEOSA-N 0 3 301.346 2.375 20 5 DEBDHN C[C@@H]1CCCC[C@]1(CNC(=O)OC(C)(C)C)NCC[N+](=O)[O-] ZINC000929971725 647987915 /nfs/dbraw/zinc/98/79/15/647987915.db2.gz MAWXMYHFKUVTCR-IUODEOHRSA-N 0 3 315.414 2.326 20 5 DEBDHN C[C@@H]1CCCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000822104439 648157277 /nfs/dbraw/zinc/15/72/77/648157277.db2.gz YNMCMSAOJQKNNG-LLVKDONJSA-N 0 3 309.341 2.196 20 5 DEBDHN CC[C@@H]1CN(CC)CCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000831970787 649665411 /nfs/dbraw/zinc/66/54/11/649665411.db2.gz FNWIJRMDDCVJIW-ZBFHGGJFSA-N 0 3 307.394 2.044 20 5 DEBDHN CC([C@@H](OC(=O)c1cnn(C)c1)c1ccccc1F)[N+](=O)[O-] ZINC000845872565 651291339 /nfs/dbraw/zinc/29/13/39/651291339.db2.gz JSPXNEYZNTTZDX-TVQRCGJNSA-N 0 3 307.281 2.123 20 5 DEBDHN CC([C@@H](OC(=O)CCn1cccn1)c1ccccc1F)[N+](=O)[O-] ZINC000845877350 651291482 /nfs/dbraw/zinc/29/14/82/651291482.db2.gz REQGSSWTAJNQSN-IAQYHMDHSA-N 0 3 321.308 2.362 20 5 DEBDHN CC([C@@H](OC(=O)COC(F)F)c1ccccc1F)[N+](=O)[O-] ZINC000845877735 651291593 /nfs/dbraw/zinc/29/15/93/651291593.db2.gz GMHSNMFWWLTACR-RDDDGLTNSA-N 0 3 307.224 2.314 20 5 DEBDHN CCN1C[C@H](CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)OC1=O ZINC000846847108 651356330 /nfs/dbraw/zinc/35/63/30/651356330.db2.gz KHAZJQMZECYCJB-YPMHNXCESA-N 0 3 307.350 2.395 20 5 DEBDHN O=C1O[C@@H](CNC/C=C/c2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000848578032 651474238 /nfs/dbraw/zinc/47/42/38/651474238.db2.gz MRXYCTGWYBJVRC-KQIUPUNMSA-N 0 3 317.345 2.181 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCC1(C)OCCO1 ZINC000850461147 651933841 /nfs/dbraw/zinc/93/38/41/651933841.db2.gz HVSMIDDQSOFCFN-LLVKDONJSA-N 0 3 310.350 2.407 20 5 DEBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCN[C@H](C(C)C)C1 ZINC000856488933 651941360 /nfs/dbraw/zinc/94/13/60/651941360.db2.gz HREBDOUZIJIOFV-ISBHARSQSA-N 0 3 317.389 2.455 20 5 DEBDHN C/C(=C\C(=O)N1CCN[C@@H](C(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000856490089 651942566 /nfs/dbraw/zinc/94/25/66/651942566.db2.gz VVUIVVATSZQKAF-QSOAKEGCSA-N 0 3 317.389 2.455 20 5 DEBDHN COC(=O)C1=CC[C@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000858471075 652344811 /nfs/dbraw/zinc/34/48/11/652344811.db2.gz QUIDSKHAUUIBGA-FZMZJTMJSA-N 0 3 302.330 2.434 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(N(C)CCN2CC3(C2)CCOCC3)c1 ZINC000866258137 687511101 /nfs/dbraw/zinc/51/11/01/687511101.db2.gz QSNIJTJIUYAXFQ-UHFFFAOYSA-N 0 3 319.405 2.452 20 5 DEBDHN CCN(C)C(=O)[C@H](C)N[C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866347615 687543448 /nfs/dbraw/zinc/54/34/48/687543448.db2.gz LXHIVZGHBZUEEU-QWRGUYRKSA-N 0 3 311.357 2.121 20 5 DEBDHN CCN(C)C(=O)[C@@H](C)N[C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866347613 687543840 /nfs/dbraw/zinc/54/38/40/687543840.db2.gz LXHIVZGHBZUEEU-GHMZBOCLSA-N 0 3 311.357 2.121 20 5 DEBDHN CC[C@H]1CN(C)CCCN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000867961147 687852425 /nfs/dbraw/zinc/85/24/25/687852425.db2.gz UYSZGRQJHJXFJE-ZDUSSCGKSA-N 0 3 323.368 2.219 20 5 DEBDHN CC(COC(=O)C1(c2ccnc3ccccc32)CC1)[N+](=O)[O-] ZINC000870376219 688551972 /nfs/dbraw/zinc/55/19/72/688551972.db2.gz DGYGFGRWPPNIOA-NSHDSACASA-N 0 3 300.314 2.475 20 5 DEBDHN O=C(CCc1cc(F)ccc1[N+](=O)[O-])N[C@H]1CCN(C2CC2)C1 ZINC000930674891 694216262 /nfs/dbraw/zinc/21/62/62/694216262.db2.gz JIHFUHMTNDXKED-ZDUSSCGKSA-N 0 3 321.352 2.019 20 5 DEBDHN Cc1cc(C(=O)N2CCN(C)C(C)(C)CC2)cc([N+](=O)[O-])c1 ZINC000871153917 688736393 /nfs/dbraw/zinc/73/63/93/688736393.db2.gz WLYLYZBDYFMSFY-UHFFFAOYSA-N 0 3 305.378 2.460 20 5 DEBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H]1COCCO1 ZINC000872025118 688915181 /nfs/dbraw/zinc/91/51/81/688915181.db2.gz ZNTQRUGYYCAJMW-PWSUYJOCSA-N 0 3 312.391 2.383 20 5 DEBDHN CO[C@@H]1COCC[C@@H]1CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872074750 688922155 /nfs/dbraw/zinc/92/21/55/688922155.db2.gz HDLKUIPPKVEKTM-MISXGVKJSA-N 0 3 312.341 2.436 20 5 DEBDHN C[C@H](NC[C@H](O)C[C@@](C)(O)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000872209596 688953451 /nfs/dbraw/zinc/95/34/51/688953451.db2.gz WNUKDELNKWNCSW-IUIKQTSFSA-N 0 3 308.378 2.157 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000930861753 694257925 /nfs/dbraw/zinc/25/79/25/694257925.db2.gz GCFQLTBDBYSDRV-VXGBXAGGSA-N 0 3 306.366 2.426 20 5 DEBDHN C[C@H](C(=O)N1CC[C@@H]2[C@H]1CCCN2C)c1cccc([N+](=O)[O-])c1 ZINC000874827252 689502196 /nfs/dbraw/zinc/50/21/96/689502196.db2.gz BYYWTBDNQRAUTP-APHBMKBZSA-N 0 3 317.389 2.393 20 5 DEBDHN O=[N+]([O-])c1cnn(C2CC(NCc3noc4ccccc43)C2)c1 ZINC000877620197 690170129 /nfs/dbraw/zinc/17/01/29/690170129.db2.gz FZRIKIMBOMQFEM-UHFFFAOYSA-N 0 3 313.317 2.426 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000877629511 690173135 /nfs/dbraw/zinc/17/31/35/690173135.db2.gz VCMJNLVFNWDWLR-DZGCQCFKSA-N 0 3 317.389 2.312 20 5 DEBDHN CN1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C(C)(C)C ZINC000878840116 690511063 /nfs/dbraw/zinc/51/10/63/690511063.db2.gz KNZFVJFCWHKCSN-CVEARBPZSA-N 0 3 321.421 2.290 20 5 DEBDHN C[C@](CO)(NC[C@@H]1C[C@@H]2CCC[C@@H]2O1)c1cccc([N+](=O)[O-])c1 ZINC000879273677 690607867 /nfs/dbraw/zinc/60/78/67/690607867.db2.gz XOZZDNIDFRSXNL-OSMBCOQSSA-N 0 3 320.389 2.350 20 5 DEBDHN C[C@@H](NCC[C@H]1CCCS1(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000883305258 691477710 /nfs/dbraw/zinc/47/77/10/691477710.db2.gz SEZBFMQNUQRUKL-BXUZGUMPSA-N 0 3 312.391 2.213 20 5 DEBDHN CCN1CC[C@H]1CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000883360689 691489245 /nfs/dbraw/zinc/48/92/45/691489245.db2.gz IPQYXBDLXDRGDD-LBPRGKRZSA-N 0 3 315.320 2.380 20 5 DEBDHN N[C@H](CC1CC1)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000884306338 691705481 /nfs/dbraw/zinc/70/54/81/691705481.db2.gz BKKNLGHMGIQZST-CQSZACIVSA-N 0 3 303.362 2.213 20 5 DEBDHN N[C@H](CC1CC1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000884306770 691705769 /nfs/dbraw/zinc/70/57/69/691705769.db2.gz NWRTVQGQSXZKMB-OAHLLOKOSA-N 0 3 303.362 2.213 20 5 DEBDHN C[C@H](c1ccccc1)[C@H](CO)NCc1cccnc1[N+](=O)[O-] ZINC000886136663 692010102 /nfs/dbraw/zinc/01/01/02/692010102.db2.gz TVVCPMUIENUPCJ-DOMZBBRYSA-N 0 3 301.346 2.244 20 5 DEBDHN O=[N+]([O-])c1ccccc1CNC[C@@H](O)Cc1ccccc1F ZINC000886232405 692031775 /nfs/dbraw/zinc/03/17/75/692031775.db2.gz VUTZZCQOKNXQSW-AWEZNQCLSA-N 0 3 304.321 2.427 20 5 DEBDHN C[C@@H]1C[C@@]2(CC[C@@H](CNCc3ccccc3[N+](=O)[O-])O2)CO1 ZINC000886334385 692059561 /nfs/dbraw/zinc/05/95/61/692059561.db2.gz WFCYLZKVNRKEFU-INWMFGNUSA-N 0 3 306.362 2.411 20 5 DEBDHN CC(COC(=O)C1=Cc2ccccc2O[C@H]1C(F)F)[N+](=O)[O-] ZINC001343646118 1150759980 /nfs/dbraw/zinc/75/99/80/1150759980.db2.gz ALHGYSBNCNDFPY-QPUJVOFHSA-N 0 3 313.256 2.305 20 5 DEBDHN C[C@H]1CN[C@@H](C)[C@H](C)N1C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001354893004 1151952468 /nfs/dbraw/zinc/95/24/68/1151952468.db2.gz IRIFBKZWIXACDB-GWIBLVFBSA-N 0 3 317.389 2.296 20 5 DEBDHN N[C@@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC001332417181 1149858490 /nfs/dbraw/zinc/85/84/90/1149858490.db2.gz SDXRNMRGKDIFSS-OAHLLOKOSA-N 0 3 320.393 2.031 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)c1C ZINC001332758425 1149888938 /nfs/dbraw/zinc/88/89/38/1149888938.db2.gz XNTKTDLLQDOAHL-FZMZJTMJSA-N 0 3 317.389 2.424 20 5 DEBDHN CN(C)CCN(C(=O)c1ccc([N+](=O)[O-])cc1N)C1CCCC1 ZINC001144196800 790792801 /nfs/dbraw/zinc/79/28/01/790792801.db2.gz ASCCVFQFJDMBLY-UHFFFAOYSA-N 0 3 320.393 2.123 20 5 DEBDHN O=[N+]([O-])C[C@H]1CC[C@H](NCc2ccn(Cc3ccccc3)n2)C1 ZINC001168987983 785006090 /nfs/dbraw/zinc/00/60/90/785006090.db2.gz MDLSFVINLINLPD-HOTGVXAUSA-N 0 3 314.389 2.466 20 5 DEBDHN COc1cncc(CCNc2cc3c(cc2[N+](=O)[O-])CNC3)c1 ZINC001169265494 785103184 /nfs/dbraw/zinc/10/31/84/785103184.db2.gz HNIGFSOFBLUQGA-UHFFFAOYSA-N 0 3 314.345 2.256 20 5 DEBDHN COc1ccc(C[C@H](C)NCc2cnc(C)cn2)c([N+](=O)[O-])c1 ZINC001170298550 786894185 /nfs/dbraw/zinc/89/41/85/786894185.db2.gz MAEUOIYWTPXIKF-NSHDSACASA-N 0 3 316.361 2.423 20 5 DEBDHN COc1ccc(C[C@@H](C)N2CCC(C)(O)CC2)c([N+](=O)[O-])c1 ZINC001170330076 786910965 /nfs/dbraw/zinc/91/09/65/786910965.db2.gz XXEYDPHOWNWWRW-GFCCVEGCSA-N 0 3 308.378 2.381 20 5 DEBDHN COc1ccc(C[C@@H](C)N2CCN(C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001170352885 786917724 /nfs/dbraw/zinc/91/77/24/786917724.db2.gz SYCAKOQMBITXTM-CHWSQXEVSA-N 0 3 307.394 2.170 20 5 DEBDHN C[C@@H](Nc1ncc(F)c2cc([N+](=O)[O-])ccc12)[C@H]1CNCCO1 ZINC001170568446 787646798 /nfs/dbraw/zinc/64/67/98/787646798.db2.gz HXVCKMQTVOBRNP-YMTOWFKASA-N 0 3 320.324 2.071 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1CC[C@](F)(CO)C1)CC2 ZINC001172909471 793542153 /nfs/dbraw/zinc/54/21/53/793542153.db2.gz SADVHJQBMGHLJZ-GDBMZVCRSA-N 0 3 308.353 2.249 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)NCc2ccncn2)c1F ZINC001173180659 793620868 /nfs/dbraw/zinc/62/08/68/793620868.db2.gz XZHYXRAZLWZJOT-SNVBAGLBSA-N 0 3 320.324 2.253 20 5 DEBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1cn2cccnc2n1 ZINC001173217469 793634751 /nfs/dbraw/zinc/63/47/51/793634751.db2.gz VFGFIPMIIAQBHZ-GFCCVEGCSA-N 0 3 311.345 2.358 20 5 DEBDHN COc1ccc(CN[C@H](C)Cc2ccc([N+](=O)[O-])cc2)nn1 ZINC001173233499 793645865 /nfs/dbraw/zinc/64/58/65/793645865.db2.gz JIMOEMJUHWOEHJ-LLVKDONJSA-N 0 3 302.334 2.114 20 5 DEBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCN1CCCCC1 ZINC001119545925 795320338 /nfs/dbraw/zinc/32/03/38/795320338.db2.gz LEYODSNBITYUHU-UHFFFAOYSA-N 0 3 320.393 2.194 20 5 DEBDHN Cc1ncc([N+](=O)[O-])c(-n2cncc2CNCc2ccccc2)n1 ZINC001156482444 798012603 /nfs/dbraw/zinc/01/26/03/798012603.db2.gz LYFPBKYCTIIPFZ-UHFFFAOYSA-N 0 3 324.344 2.169 20 5 DEBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])C1(C2CC2)CC1 ZINC001160550870 798703389 /nfs/dbraw/zinc/70/33/89/798703389.db2.gz MKKXWIOJZXFTDO-UHFFFAOYSA-N 0 3 317.389 2.381 20 5 DEBDHN CCOC(=O)COc1ncc(NC(=N)C(C)(C)C)cc1[N+](=O)[O-] ZINC001162664948 799141496 /nfs/dbraw/zinc/14/14/96/799141496.db2.gz YGMZRDXYOHBDTO-UHFFFAOYSA-N 0 3 324.337 2.367 20 5 DEBDHN COc1ncc([N+](=O)[O-])cc1N[C@H]1CNCc2ccsc21 ZINC001163226238 799281953 /nfs/dbraw/zinc/28/19/53/799281953.db2.gz DGDLYYHRXDVPID-NSHDSACASA-N 0 3 306.347 2.316 20 5 DEBDHN Cc1cc(CN)nn1-c1ccc(OC(F)(F)F)c([N+](=O)[O-])c1 ZINC001163985692 799472648 /nfs/dbraw/zinc/47/26/48/799472648.db2.gz ZEGFGCRSWHKXGK-UHFFFAOYSA-N 0 3 316.239 2.446 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)ncnc2O[C@H]1CN2CCC1CC2 ZINC001229399307 801270853 /nfs/dbraw/zinc/27/08/53/801270853.db2.gz ISMUDONMUHGVQP-AWEZNQCLSA-N 0 3 300.318 2.011 20 5 DEBDHN CC[C@@H](NC(=O)N[C@H]1CCN(C)[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC001224287235 802855064 /nfs/dbraw/zinc/85/50/64/802855064.db2.gz NJEHGRSXTBQSQR-GLQYFDAESA-N 0 3 320.393 2.438 20 5 DEBDHN COc1ccc(NC(=O)C2(N(C)C)CCCC2)cc1[N+](=O)[O-] ZINC001466329119 1059452469 /nfs/dbraw/zinc/45/24/69/1059452469.db2.gz IVYDVLZRKRXWND-UHFFFAOYSA-N 0 3 307.350 2.416 20 5 DEBDHN CC1=NO[C@@H](CN[C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001474649012 1060908905 /nfs/dbraw/zinc/90/89/05/1060908905.db2.gz XDHLMHRETFDFHR-QMTHXVAHSA-N 0 3 320.349 2.066 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CCCCN1C ZINC001514830290 1068789468 /nfs/dbraw/zinc/78/94/68/1068789468.db2.gz RDBOZGLWJSTUSC-ZDUSSCGKSA-N 0 3 305.378 2.426 20 5 DEBDHN CC[C@@H]1CN[C@@H](CC)CN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001573717886 1069077222 /nfs/dbraw/zinc/07/72/22/1069077222.db2.gz IGAWMINYEPBBAM-UONOGXRCSA-N 0 3 320.393 2.267 20 5 DEBDHN O=[N+]([O-])c1ccc(C(F)(F)F)cc1NC[C@@H]1CNCCO1 ZINC001580874882 1076010596 /nfs/dbraw/zinc/01/05/96/1076010596.db2.gz NFLXBTPKXSLMHM-VIFPVBQESA-N 0 3 305.256 2.014 20 5 DEBDHN C[C@@H]1CCCC[N@@H+]1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590256305 1076601883 /nfs/dbraw/zinc/60/18/83/1076601883.db2.gz BCKXRXSTIDUZGN-SNVBAGLBSA-N 0 3 302.338 2.149 20 5 DEBDHN C[C@@H]1CCCC[N@H+]1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590256305 1076601885 /nfs/dbraw/zinc/60/18/85/1076601885.db2.gz BCKXRXSTIDUZGN-SNVBAGLBSA-N 0 3 302.338 2.149 20 5 DEBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1C[N@@H+]1CCC[C@@H]1C1CC1 ZINC001609600028 1077881545 /nfs/dbraw/zinc/88/15/45/1077881545.db2.gz MUBVGWBAQGVUOV-CYBMUJFWSA-N 0 3 314.349 2.149 20 5 DEBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1C[N@H+]1CCC[C@@H]1C1CC1 ZINC001609600028 1077881547 /nfs/dbraw/zinc/88/15/47/1077881547.db2.gz MUBVGWBAQGVUOV-CYBMUJFWSA-N 0 3 314.349 2.149 20 5 DEBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1C[N@@H+]1CCC[C@@H]1C1CC1 ZINC001609600028 1077881548 /nfs/dbraw/zinc/88/15/48/1077881548.db2.gz MUBVGWBAQGVUOV-CYBMUJFWSA-N 0 3 314.349 2.149 20 5 DEBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1C[N@H+]1CCC[C@@H]1C1CC1 ZINC001609600028 1077881550 /nfs/dbraw/zinc/88/15/50/1077881550.db2.gz MUBVGWBAQGVUOV-CYBMUJFWSA-N 0 3 314.349 2.149 20 5 DEBDHN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N[C@@H]1CN2CCC1CC2 ZINC001651147447 1079791192 /nfs/dbraw/zinc/79/11/92/1079791192.db2.gz KTUVSVQEPJOOOE-CYBMUJFWSA-N 0 3 323.780 2.001 20 5 DEBDHN CN1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000070231870 1079981009 /nfs/dbraw/zinc/98/10/09/1079981009.db2.gz ACGATHLQEDRHCV-NSHDSACASA-N 0 3 311.769 2.462 20 5 DEBDHN O=[N+]([O-])c1ccc(CNCc2ccccc2-n2cncn2)cc1 ZINC001655376091 1079995901 /nfs/dbraw/zinc/99/59/01/1079995901.db2.gz NTKGCQVWIIHFES-UHFFFAOYSA-N 0 3 309.329 2.465 20 5 DEBDHN CC(C)c1ccc(CNC[C@H](O)c2cnn(C)c2)cc1[N+](=O)[O-] ZINC001657322654 1080170114 /nfs/dbraw/zinc/17/01/14/1080170114.db2.gz JXDCUEKNXGGNIM-INIZCTEOSA-N 0 3 318.377 2.275 20 5 DEBDHN O=C1Nc2ccccc2C[C@@H]1NCCc1ccc([N+](=O)[O-])cc1 ZINC001660463004 1080335920 /nfs/dbraw/zinc/33/59/20/1080335920.db2.gz OJHIFRAZOQRWCN-INIZCTEOSA-N 0 3 311.341 2.290 20 5 DEBDHN COc1cc([N+](=O)[O-])cnc1N1CCN(C2CCCCC2)CC1 ZINC001351987649 1151644837 /nfs/dbraw/zinc/64/48/37/1151644837.db2.gz QLRFISNHNBMELU-UHFFFAOYSA-N 0 3 320.393 2.453 20 5 DEBDHN O=[N+]([O-])c1ccc(N2CCC(NCc3ccncn3)CC2)cc1 ZINC001254465624 1143129496 /nfs/dbraw/zinc/12/94/96/1143129496.db2.gz GWGDGHQFWPSERL-UHFFFAOYSA-N 0 3 313.361 2.143 20 5 DEBDHN Cc1c(CC(=O)N2[C@H](C)CN[C@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC001341030804 1143526405 /nfs/dbraw/zinc/52/64/05/1143526405.db2.gz UKWWDTUNJOSNRI-RTXFEEFZSA-N 0 3 305.378 2.043 20 5 DEBDHN Cc1ccc(CNC(=O)NC[C@H]2CCCCN2C)cc1[N+](=O)[O-] ZINC001342142271 1143796675 /nfs/dbraw/zinc/79/66/75/1143796675.db2.gz XKPXZHQKOORDGM-CQSZACIVSA-N 0 3 320.393 2.187 20 5 DEBDHN COc1cc(N2CCC(N(C)CC(C)=O)CC2)ccc1[N+](=O)[O-] ZINC001256094372 1143829525 /nfs/dbraw/zinc/82/95/25/1143829525.db2.gz YLYQSNBIMKQYAU-UHFFFAOYSA-N 0 3 321.377 2.093 20 5 DEBDHN COC(=O)[C@@H]1CCC[C@H]1NCc1cc([N+](=O)[O-])ccc1OC ZINC001256176641 1143833425 /nfs/dbraw/zinc/83/34/25/1143833425.db2.gz WGKMGZBVDZHKLF-CHWSQXEVSA-N 0 3 308.334 2.035 20 5 DEBDHN Cc1nn(C)c(C)c1[C@@H](O)CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC001308550569 1147479646 /nfs/dbraw/zinc/47/96/46/1147479646.db2.gz PHMRMYNZHVPENZ-HNNXBMFYSA-N 0 3 318.377 2.077 20 5 DEBDHN CN1CC=C(CNc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000286576066 219062066 /nfs/dbraw/zinc/06/20/66/219062066.db2.gz RXNXZRYUOXCTGD-UHFFFAOYSA-N 0 3 305.363 2.273 20 5 DEBDHN CN1CC[C@H]2CCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000272691014 210097343 /nfs/dbraw/zinc/09/73/43/210097343.db2.gz XBCIURQZBHNSJF-IXWNZZHASA-N 0 3 315.373 2.161 20 5 DEBDHN CN1CC[C@H]2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000272675297 210079448 /nfs/dbraw/zinc/07/94/48/210079448.db2.gz UNPPGAXCYAZMKP-YQNAPEKISA-N 0 3 315.373 2.161 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCN1CC=CCC1 ZINC000279802189 215159572 /nfs/dbraw/zinc/15/95/72/215159572.db2.gz NQBIJMGAXUVNCZ-UHFFFAOYSA-N 0 3 305.378 2.345 20 5 DEBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000164231144 186152724 /nfs/dbraw/zinc/15/27/24/186152724.db2.gz RLXTZUDGQHLQAV-TZMCWYRMSA-N 0 3 303.362 2.151 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000171453383 186162561 /nfs/dbraw/zinc/16/25/61/186162561.db2.gz HBHCSPPUXDFPTC-CQSZACIVSA-N 0 3 303.362 2.214 20 5 DEBDHN O=C([C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1)N1CCCC1 ZINC000287214728 219384726 /nfs/dbraw/zinc/38/47/26/219384726.db2.gz FBYXQZRRXACWIE-AWEZNQCLSA-N 0 3 303.362 2.039 20 5 DEBDHN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC(N2CC=CC2)CC1 ZINC000174371887 198326306 /nfs/dbraw/zinc/32/63/06/198326306.db2.gz OKSDERAXOAOINR-UHFFFAOYSA-N 0 3 316.361 2.463 20 5 DEBDHN C[C@H](CN1CCCCC1)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000027770713 354095551 /nfs/dbraw/zinc/09/55/51/354095551.db2.gz WBOPJAIJBGVNPA-CYBMUJFWSA-N 0 3 305.378 2.128 20 5 DEBDHN O=C(Nc1ccc([N+](=O)[O-])cc1)NC1CCN(C2CC2)CC1 ZINC000045778704 354263627 /nfs/dbraw/zinc/26/36/27/354263627.db2.gz KBWBTTXAADNOJD-UHFFFAOYSA-N 0 3 304.350 2.343 20 5 DEBDHN CN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCCC1 ZINC000053814352 354444613 /nfs/dbraw/zinc/44/46/13/354444613.db2.gz QDMBQIRVDCREOO-UHFFFAOYSA-N 0 3 303.362 2.358 20 5 DEBDHN Cc1ccc([C@@H](CNc2c([N+](=O)[O-])ncn2C)N(C)C)cc1 ZINC000064114201 354662471 /nfs/dbraw/zinc/66/24/71/354662471.db2.gz ATFCFQWCIXFZJS-CYBMUJFWSA-N 0 3 303.366 2.352 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(C(=O)NCCN2CCC[C@@H](C)C2)c1 ZINC000067548666 354767870 /nfs/dbraw/zinc/76/78/70/354767870.db2.gz IBBGJXKVUMCSCA-GFCCVEGCSA-N 0 3 321.377 2.065 20 5 DEBDHN Cc1ccc([C@H](C)N[C@@H](C)[C@@H]2CN(C)CCO2)cc1[N+](=O)[O-] ZINC000090573331 355564335 /nfs/dbraw/zinc/56/43/35/355564335.db2.gz YCKQLXVMFGOLFV-XEZPLFJOSA-N 0 3 307.394 2.273 20 5 DEBDHN CC(C)C[C@@H](N)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000236711377 356291575 /nfs/dbraw/zinc/29/15/75/356291575.db2.gz VDDNPHXDPACXPJ-OAHLLOKOSA-N 0 3 307.394 2.407 20 5 DEBDHN C[C@H]1C[C@@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)CCN1C ZINC000316863563 356431430 /nfs/dbraw/zinc/43/14/30/356431430.db2.gz VTALHZYRKBKIIM-QWRGUYRKSA-N 0 3 301.350 2.433 20 5 DEBDHN O=[N+]([O-])c1ccc(CCN2CCC[C@@H](n3ccnn3)C2)cc1 ZINC000425499756 283209607 /nfs/dbraw/zinc/20/96/07/283209607.db2.gz KADOOOCNCWDTKL-OAHLLOKOSA-N 0 3 301.350 2.066 20 5 DEBDHN CCC(=O)N1CC[C@@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000580844101 357089773 /nfs/dbraw/zinc/08/97/73/357089773.db2.gz LYIRRCBVNNCPDK-RISCZKNCSA-N 0 3 303.362 2.183 20 5 DEBDHN CCN1CCCC[C@H]1CNc1nccc(C(=O)OC)c1[N+](=O)[O-] ZINC000590578237 357560191 /nfs/dbraw/zinc/56/01/91/357560191.db2.gz NFJPFHHEQBMXEV-NSHDSACASA-N 0 3 322.365 2.063 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cnc2c(c1)CNCC2 ZINC000592540926 357900399 /nfs/dbraw/zinc/90/03/99/357900399.db2.gz VRWJXLBZVKPQMJ-UHFFFAOYSA-N 0 3 312.329 2.196 20 5 DEBDHN CCCN(C(=O)Cc1cccc([N+](=O)[O-])c1C)[C@H]1CCN(C)C1 ZINC000592828072 357951986 /nfs/dbraw/zinc/95/19/86/357951986.db2.gz AYPFEOARFNAYKY-HNNXBMFYSA-N 0 3 319.405 2.388 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])cc1CNCC[C@@]1(O)CCCOC1 ZINC000593691231 358124820 /nfs/dbraw/zinc/12/48/20/358124820.db2.gz MMFAZTKBHXREEU-INIZCTEOSA-N 0 3 324.377 2.015 20 5 DEBDHN CN(CCN1CCCCC1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000593884923 358164986 /nfs/dbraw/zinc/16/49/86/358164986.db2.gz YCNNSXQJXHZCDC-UHFFFAOYSA-N 0 3 305.378 2.082 20 5 DEBDHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1F ZINC000594200275 358223035 /nfs/dbraw/zinc/22/30/35/358223035.db2.gz KMNROKJTSNWMPW-CABCVRRESA-N 0 3 321.352 2.481 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC1(CO)CCOCC1 ZINC000595022838 358379522 /nfs/dbraw/zinc/37/95/22/358379522.db2.gz OORXWPDTZMTHNH-LBPRGKRZSA-N 0 3 324.377 2.043 20 5 DEBDHN CO[C@@]1(C)C[C@H]1N[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000595109250 358390780 /nfs/dbraw/zinc/39/07/80/358390780.db2.gz VXQWCAZJYAVMLS-ZBINZKHDSA-N 0 3 307.350 2.079 20 5 DEBDHN CC(=O)c1cc(NCCCN2CCC(O)CC2)ccc1[N+](=O)[O-] ZINC000596085209 358606827 /nfs/dbraw/zinc/60/68/27/358606827.db2.gz JIHNXVWTDFGVFD-UHFFFAOYSA-N 0 3 321.377 2.056 20 5 DEBDHN C[C@H](CN1CCC(C)CC1)Nc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000596487173 358696844 /nfs/dbraw/zinc/69/68/44/358696844.db2.gz DGKCZHPQVDYIAS-GFCCVEGCSA-N 0 3 320.393 2.226 20 5 DEBDHN CC1(C)CC[C@H](CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)O1 ZINC000187261990 200085345 /nfs/dbraw/zinc/08/53/45/200085345.db2.gz HBAUCXFFWSDFQD-GXTWGEPZSA-N 0 3 320.393 2.434 20 5 DEBDHN O=C(NC1CCN(C2CC2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000600981302 359882815 /nfs/dbraw/zinc/88/28/15/359882815.db2.gz FUMKGWJOUXFIAL-UHFFFAOYSA-N 0 3 307.325 2.091 20 5 DEBDHN CN1CCC[C@@]2(CCN(C(=O)c3c(F)cccc3[N+](=O)[O-])C2)C1 ZINC000601602036 360084305 /nfs/dbraw/zinc/08/43/05/360084305.db2.gz FZABPIJDIIQCIM-MRXNPFEDSA-N 0 3 321.352 2.292 20 5 DEBDHN Cc1ccc2cc(CNCCn3cc([N+](=O)[O-])cn3)ccc2n1 ZINC000189387655 200392525 /nfs/dbraw/zinc/39/25/25/200392525.db2.gz AJBPSOYFWSRKGI-UHFFFAOYSA-N 0 3 311.345 2.438 20 5 DEBDHN CC[C@@](C)(CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)OC ZINC000602476212 360395082 /nfs/dbraw/zinc/39/50/82/360395082.db2.gz WNFCLGIQNJAPHA-WFASDCNBSA-N 0 3 308.382 2.291 20 5 DEBDHN CC[C@H](NCCc1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)(F)F ZINC000602582847 360444414 /nfs/dbraw/zinc/44/44/14/360444414.db2.gz YBRJUDFITNIVOB-RYUDHWBXSA-N 0 3 306.284 2.429 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC2(CC2(F)F)CC1 ZINC000602864927 360599074 /nfs/dbraw/zinc/59/90/74/360599074.db2.gz LFVGEUZTCDAOSC-UHFFFAOYSA-N 0 3 300.309 2.221 20 5 DEBDHN O=[N+]([O-])c1cnc(NC2CCN(C3CCOCC3)CC2)s1 ZINC000603409462 360822088 /nfs/dbraw/zinc/82/20/88/360822088.db2.gz YKFBTVYDLXUXGF-UHFFFAOYSA-N 0 3 312.395 2.107 20 5 DEBDHN O=[N+]([O-])c1ccc2ccnc(NC[C@@H]3CSCCN3)c2c1 ZINC000603420634 360827178 /nfs/dbraw/zinc/82/71/78/360827178.db2.gz VIPGALNTBGKECY-LLVKDONJSA-N 0 3 304.375 2.260 20 5 DEBDHN Cc1cc(NCCCCN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000603850876 360865295 /nfs/dbraw/zinc/86/52/95/360865295.db2.gz HBLJKCVSSMJBIH-UHFFFAOYSA-N 0 3 306.410 2.343 20 5 DEBDHN CC[C@@H](CN1CCCC1)NC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000609833537 361341726 /nfs/dbraw/zinc/34/17/26/361341726.db2.gz MMYHSQOPLPZSMY-ZDUSSCGKSA-N 0 3 320.393 2.241 20 5 DEBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@@H]2c2ccc(O)cc2)c1 ZINC000610447528 361400866 /nfs/dbraw/zinc/40/08/66/361400866.db2.gz HASYITGUSLXZON-OAHLLOKOSA-N 0 3 302.334 2.334 20 5 DEBDHN C[C@@H]1C[C@@H](CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000611293160 361573903 /nfs/dbraw/zinc/57/39/03/361573903.db2.gz UDOIZHACBHLAKV-NEPJUHHUSA-N 0 3 322.361 2.271 20 5 DEBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CCC[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000194763817 201285145 /nfs/dbraw/zinc/28/51/45/201285145.db2.gz ZGIDCYLTBVDRNB-ZWNOBZJWSA-N 0 3 309.322 2.144 20 5 DEBDHN CC1(C)CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[C@H]1O ZINC000275444131 212335918 /nfs/dbraw/zinc/33/59/18/212335918.db2.gz KQXIXMNYCADWIJ-CQSZACIVSA-N 0 3 321.377 2.016 20 5 DEBDHN COc1ccc(OCCN2CC[C@@H](OC)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000451542403 243087557 /nfs/dbraw/zinc/08/75/57/243087557.db2.gz JQDTURJKOLYLLI-SWLSCSKDSA-N 0 3 324.377 2.339 20 5 DEBDHN C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@H](C)N1CCOCC1 ZINC000248006807 296150721 /nfs/dbraw/zinc/15/07/21/296150721.db2.gz KXEKLKIKPFDYCF-RDBSUJKOSA-N 0 3 307.394 2.355 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)c1 ZINC000268011604 206396226 /nfs/dbraw/zinc/39/62/26/206396226.db2.gz UVZOVMPQVLFKLM-VXGBXAGGSA-N 0 3 303.362 2.258 20 5 DEBDHN CN(C)C/C=C/C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000492274647 249029343 /nfs/dbraw/zinc/02/93/43/249029343.db2.gz KBPWKLJHQZADRP-NHZBNJEXSA-N 0 3 321.402 2.287 20 5 DEBDHN CN(C)C/C=C\C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000492401815 249056969 /nfs/dbraw/zinc/05/69/69/249056969.db2.gz VIMGBDUQJWDYJB-ARJAWSKDSA-N 0 3 311.769 2.025 20 5 DEBDHN CCCN(CCO)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000104673782 194023638 /nfs/dbraw/zinc/02/36/38/194023638.db2.gz PMXJWZDPZNLSBJ-UHFFFAOYSA-N 0 3 319.361 2.497 20 5 DEBDHN C[C@]1(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CCCCN1 ZINC000273010968 210390857 /nfs/dbraw/zinc/39/08/57/210390857.db2.gz VGTLLCVGMKPPTB-CQSZACIVSA-N 0 3 311.769 2.397 20 5 DEBDHN C[C@H]1C[C@@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCN1C ZINC000157695875 197208501 /nfs/dbraw/zinc/20/85/01/197208501.db2.gz FLTVAROYGCKKAS-ONGXEEELSA-N 0 3 311.769 2.461 20 5 DEBDHN Cn1cnc([N+](=O)[O-])c1NCC1CCN(c2ccncc2)CC1 ZINC000271292230 208784894 /nfs/dbraw/zinc/78/48/94/208784894.db2.gz AJRJIKZFPCAIOZ-UHFFFAOYSA-N 0 3 316.365 2.052 20 5 DEBDHN COc1ccc(CN(CCn2cc([N+](=O)[O-])cn2)C2CC2)cc1 ZINC000157449322 197188239 /nfs/dbraw/zinc/18/82/39/197188239.db2.gz JCHPJDDJOPNVCV-UHFFFAOYSA-N 0 3 316.361 2.465 20 5 DEBDHN NC(=O)[C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000157116506 197163404 /nfs/dbraw/zinc/16/34/04/197163404.db2.gz JGTJTSUJUHOHBE-LBPRGKRZSA-N 0 3 315.329 2.162 20 5 DEBDHN CN(C[C@H]1CCCN1C)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000155982692 197078086 /nfs/dbraw/zinc/07/80/86/197078086.db2.gz XTOUGMYWSQAWOE-SNVBAGLBSA-N 0 3 311.769 2.414 20 5 DEBDHN COC[C@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000542526334 285231751 /nfs/dbraw/zinc/23/17/51/285231751.db2.gz VWCPRSIWFKRLMR-FZMZJTMJSA-N 0 3 309.366 2.182 20 5 DEBDHN C[C@@H](C(=O)NCCN1CC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000542659198 285241420 /nfs/dbraw/zinc/24/14/20/285241420.db2.gz MJAGSRVQPLKCCB-VXGBXAGGSA-N 0 3 323.368 2.295 20 5 DEBDHN CN(C)C(=O)C1(NCc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000295031340 224390722 /nfs/dbraw/zinc/39/07/22/224390722.db2.gz NYDVGOIICAXWGP-UHFFFAOYSA-N 0 3 305.378 2.476 20 5 DEBDHN CCC[C@H](NC[C@@H](O)[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000358050365 133118163 /nfs/dbraw/zinc/11/81/63/133118163.db2.gz TURZEWANCVXSMF-CWRNSKLLSA-N 0 3 308.378 2.423 20 5 DEBDHN O=C(NC1CCN(C2CCC2)CC1)c1ccc([N+](=O)[O-])s1 ZINC000297144887 404472033 /nfs/dbraw/zinc/47/20/33/404472033.db2.gz LLYKQPBJTIYAJS-UHFFFAOYSA-N 0 3 309.391 2.403 20 5 DEBDHN CC[C@@H](NCCCS(=O)(=O)CC)c1cccc([N+](=O)[O-])c1 ZINC000342279449 404482213 /nfs/dbraw/zinc/48/22/13/404482213.db2.gz GBGROXXDRBFVNC-CQSZACIVSA-N 0 3 314.407 2.460 20 5 DEBDHN Cc1ccc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000549152586 285832729 /nfs/dbraw/zinc/83/27/29/285832729.db2.gz VNRWDUQOKCGQNJ-CYBMUJFWSA-N 0 3 322.386 2.494 20 5 DEBDHN Cc1ccc(CN2CCNC[C@@H]2c2ccncc2)cc1[N+](=O)[O-] ZINC000261932789 145244231 /nfs/dbraw/zinc/24/42/31/145244231.db2.gz CXLWOVZJUADGOM-QGZVFWFLSA-N 0 3 312.373 2.445 20 5 DEBDHN CN(C)CCOCCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000318567293 145368629 /nfs/dbraw/zinc/36/86/29/145368629.db2.gz MWPFVLAOMHKBNO-UHFFFAOYSA-N 0 3 304.350 2.133 20 5 DEBDHN CCOC1CC(O)(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000565219320 292148083 /nfs/dbraw/zinc/14/80/83/292148083.db2.gz WLCNVJWGDHFLSM-OFWKBQFLSA-N 0 3 306.362 2.102 20 5 DEBDHN Cc1c(CNC(=O)NC[C@@H]2CCCN(C)C2)cccc1[N+](=O)[O-] ZINC000565574098 292171379 /nfs/dbraw/zinc/17/13/79/292171379.db2.gz AHGKJRUAULNBLO-ZDUSSCGKSA-N 0 3 320.393 2.044 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCOC[C@@H](C)C1 ZINC000371110563 148063939 /nfs/dbraw/zinc/06/39/39/148063939.db2.gz ZREKXLFDDNMZCS-LBPRGKRZSA-N 0 3 321.377 2.200 20 5 DEBDHN C[C@H](N[C@H]1CCO[C@H]1C1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000375435469 148372159 /nfs/dbraw/zinc/37/21/59/148372159.db2.gz FFZALNUNUDUFEQ-LKTVYLICSA-N 0 3 319.361 2.079 20 5 DEBDHN Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc1[N+](=O)[O-] ZINC000073986968 401726321 /nfs/dbraw/zinc/72/63/21/401726321.db2.gz ZCQAGMLXVIHJJQ-KGLIPLIRSA-N 0 3 303.362 2.212 20 5 DEBDHN C[C@@H](N[C@@H](C)CCS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000127096743 401719898 /nfs/dbraw/zinc/71/98/98/401719898.db2.gz GBIQWVKSVFQFRE-WDEREUQCSA-N 0 3 300.380 2.069 20 5 DEBDHN Cc1ccc(C(=O)N(C)C[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000115436543 401827732 /nfs/dbraw/zinc/82/77/32/401827732.db2.gz CCJWXPFCFSWXFB-ZDUSSCGKSA-N 0 3 305.378 2.317 20 5 DEBDHN NC(=O)[C@H]1CCCC[C@H]1NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000130787361 401838394 /nfs/dbraw/zinc/83/83/94/401838394.db2.gz NXVSMHXVRSXHKP-NWDGAFQWSA-N 0 3 311.769 2.382 20 5 DEBDHN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@H](N2CCCC2)C1 ZINC000133056339 401878929 /nfs/dbraw/zinc/87/89/29/401878929.db2.gz NBWGNNMXHJSXCK-ZDUSSCGKSA-N 0 3 321.352 2.434 20 5 DEBDHN CC[C@H](NC[C@H]1CCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000038083184 401921818 /nfs/dbraw/zinc/92/18/18/401921818.db2.gz RVJFSSKXLLINOG-RISCZKNCSA-N 0 3 312.391 2.070 20 5 DEBDHN Cc1cc(C(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000121166759 402018238 /nfs/dbraw/zinc/01/82/38/402018238.db2.gz WFJRUMYGRMNPIV-WFASDCNBSA-N 0 3 305.378 2.315 20 5 DEBDHN CN1CC[C@@H](CNc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000048552604 402002075 /nfs/dbraw/zinc/00/20/75/402002075.db2.gz VFGNSAMSPAFPOL-QMMMGPOBSA-N 0 3 315.171 2.116 20 5 DEBDHN CN(C)[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000067045215 402151030 /nfs/dbraw/zinc/15/10/30/402151030.db2.gz KEWKRUFCJNWNBM-LLVKDONJSA-N 0 3 311.769 2.414 20 5 DEBDHN CC[C@@H](N[C@H](C)CN1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000155063530 402243691 /nfs/dbraw/zinc/24/36/91/402243691.db2.gz HECCWZXBZDTXTK-RHSMWYFYSA-N 0 3 320.437 2.271 20 5 DEBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCN(C)CC ZINC000184788172 402299700 /nfs/dbraw/zinc/29/97/00/402299700.db2.gz UYOSTIJRMKVTLS-CQSZACIVSA-N 0 3 307.394 2.231 20 5 DEBDHN COCCNCCNC(=O)c1cc2ccccc2c2cccnc12 ZINC000237332989 402404593 /nfs/dbraw/zinc/40/45/93/402404593.db2.gz UUHVJBYIHQXTQJ-UHFFFAOYSA-N 0 3 323.396 2.354 20 5 DEBDHN CCN(CC)CCSc1nc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000166897933 402488072 /nfs/dbraw/zinc/48/80/72/402488072.db2.gz VLTYOYPLYFKSHJ-UHFFFAOYSA-N 0 3 313.379 2.210 20 5 DEBDHN Cc1cc(C(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000247517712 402570610 /nfs/dbraw/zinc/57/06/10/402570610.db2.gz WFJRUMYGRMNPIV-IUODEOHRSA-N 0 3 305.378 2.315 20 5 DEBDHN CC[C@H](N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000248626158 402599781 /nfs/dbraw/zinc/59/97/81/402599781.db2.gz UYPKSCOYEQYKGO-BYCMXARLSA-N 0 3 321.377 2.469 20 5 DEBDHN Cc1ccc(CNCCN2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000171767006 402620497 /nfs/dbraw/zinc/62/04/97/402620497.db2.gz VGZOBWLWCHKLKS-UHFFFAOYSA-N 0 3 307.394 2.104 20 5 DEBDHN COCC[C@@](C)(O)CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000172069431 402638935 /nfs/dbraw/zinc/63/89/35/402638935.db2.gz IZLJAMQTAQTXED-CYBMUJFWSA-N 0 3 302.758 2.125 20 5 DEBDHN CN1CCC[C@@H](CNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000254949029 402672820 /nfs/dbraw/zinc/67/28/20/402672820.db2.gz AHJZKSVQCJMLMW-DANTVBBOSA-N 0 3 303.362 2.066 20 5 DEBDHN C[C@H]1CN(CCCCNc2cc(N)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000192799173 402750259 /nfs/dbraw/zinc/75/02/59/402750259.db2.gz UEGUTKREGZUFRO-STQMWFEESA-N 0 3 322.409 2.478 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CCN(C)C1CC1 ZINC000183886902 402803645 /nfs/dbraw/zinc/80/36/45/402803645.db2.gz YORVYXAKRNLELJ-UHFFFAOYSA-N 0 3 322.365 2.161 20 5 DEBDHN CN(C)CCN(Cc1cccs1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000175657746 402823994 /nfs/dbraw/zinc/82/39/94/402823994.db2.gz IWZUYJLGGXOUCN-UHFFFAOYSA-N 0 3 323.374 2.453 20 5 DEBDHN CC[C@@H](NC(=O)NCCN(C)CC)c1cccc([N+](=O)[O-])c1 ZINC000176010093 402847819 /nfs/dbraw/zinc/84/78/19/402847819.db2.gz VQSKRHCCJGVYHK-CQSZACIVSA-N 0 3 308.382 2.297 20 5 DEBDHN COC(=O)[C@H]1CC12CCN(Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000265080232 402894099 /nfs/dbraw/zinc/89/40/99/402894099.db2.gz RFIZSKNKVDXDLI-CQSZACIVSA-N 0 3 304.346 2.370 20 5 DEBDHN C[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)N(C)C1CC1 ZINC000265770883 402948473 /nfs/dbraw/zinc/94/84/73/402948473.db2.gz HZAPDOPECOINLF-LBPRGKRZSA-N 0 3 319.405 2.471 20 5 DEBDHN CN(CCN(C)C1CC1)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000274539702 403065339 /nfs/dbraw/zinc/06/53/39/403065339.db2.gz DQQABWCCTHTXGU-UHFFFAOYSA-N 0 3 311.769 2.414 20 5 DEBDHN NC(=O)c1ccc(NC[C@@H]2CCCCN2C2CC2)c([N+](=O)[O-])c1 ZINC000277449900 403218673 /nfs/dbraw/zinc/21/86/73/403218673.db2.gz NZSCNOOCPZCGTK-ZDUSSCGKSA-N 0 3 318.377 2.123 20 5 DEBDHN C[C@@H]1CN(CCCCNc2ccc(N)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000283950855 403234354 /nfs/dbraw/zinc/23/43/54/403234354.db2.gz YJKUYDLRERIJEF-BETUJISGSA-N 0 3 322.409 2.478 20 5 DEBDHN O=[N+]([O-])c1cccc(CN[C@H](CO)C[C@H](O)c2ccccc2)c1 ZINC000269925403 403176069 /nfs/dbraw/zinc/17/60/69/403176069.db2.gz LWSUBRKZQIVSML-RDJZCZTQSA-N 0 3 316.357 2.169 20 5 DEBDHN CS[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000270471012 403193615 /nfs/dbraw/zinc/19/36/15/403193615.db2.gz MIMSNEXACFEQJZ-OLZOCXBDSA-N 0 3 324.406 2.104 20 5 DEBDHN CCOc1ccc([C@@H](C)N[C@@H](CCO)COC)cc1[N+](=O)[O-] ZINC000271069944 403260747 /nfs/dbraw/zinc/26/07/47/403260747.db2.gz DVNHSEUFTHFRIX-YPMHNXCESA-N 0 3 312.366 2.042 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000277979048 403276582 /nfs/dbraw/zinc/27/65/82/403276582.db2.gz MEOBSJKIOGLFIN-CYBMUJFWSA-N 0 3 305.378 2.317 20 5 DEBDHN C[C@@H]1[C@@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CCCN1C ZINC000345332625 403290216 /nfs/dbraw/zinc/29/02/16/403290216.db2.gz YUJJKZHSXSTCTM-YGRLFVJLSA-N 0 3 316.361 2.289 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)CN1[C@H](C)CC[C@H]1C ZINC000345487321 403352223 /nfs/dbraw/zinc/35/22/23/403352223.db2.gz YLGCQWOUKRNSKP-VXGBXAGGSA-N 0 3 321.377 2.092 20 5 DEBDHN COc1c(C(=O)N(C)C[C@H]2CCCN(C)C2)cccc1[N+](=O)[O-] ZINC000331052379 403317397 /nfs/dbraw/zinc/31/73/97/403317397.db2.gz JCJTZKLSWGIUAD-LBPRGKRZSA-N 0 3 321.377 2.017 20 5 DEBDHN CCC[C@]1(NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000285522211 403318090 /nfs/dbraw/zinc/31/80/90/403318090.db2.gz KISONAUDMGEJMQ-INIZCTEOSA-N 0 3 321.377 2.106 20 5 DEBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000285611417 403339187 /nfs/dbraw/zinc/33/91/87/403339187.db2.gz CCEHVBOIQIQLLX-CMPLNLGQSA-N 0 3 309.391 2.355 20 5 DEBDHN NC(=O)c1ccc(CN2CC[C@H](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000339679841 403413945 /nfs/dbraw/zinc/41/39/45/403413945.db2.gz RSLSZUGKPUMQPN-GFCCVEGCSA-N 0 3 303.362 2.316 20 5 DEBDHN O=[N+]([O-])c1ccn(C2CCN(CCc3cscn3)CC2)n1 ZINC000331629883 403436025 /nfs/dbraw/zinc/43/60/25/403436025.db2.gz GWZLZYWXQFMWMU-UHFFFAOYSA-N 0 3 307.379 2.127 20 5 DEBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)CN2CCCCC2)n1 ZINC000286046171 403437771 /nfs/dbraw/zinc/43/77/71/403437771.db2.gz HNGNZNQQEVBWQI-LLVKDONJSA-N 0 3 322.365 2.063 20 5 DEBDHN CNC(=O)CC[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000286438989 403527308 /nfs/dbraw/zinc/52/73/08/403527308.db2.gz LOSDWTPOMUHADO-CQSZACIVSA-N 0 3 305.378 2.476 20 5 DEBDHN CS[C@@H]1CN(c2ccc(N)cc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000286802549 403545826 /nfs/dbraw/zinc/54/58/26/403545826.db2.gz KNXAKEAOAUSUJH-HUUCEWRRSA-N 0 3 322.434 2.193 20 5 DEBDHN CNC(=O)[C@@H]1CCC[C@@H]1NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000345826455 403500269 /nfs/dbraw/zinc/50/02/69/403500269.db2.gz FXNHTRPOELQTNQ-RKWPFYGESA-N 0 3 303.362 2.112 20 5 DEBDHN CN1CC=C(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000343246225 403509470 /nfs/dbraw/zinc/50/94/70/403509470.db2.gz DNRVRRVINNDQNO-UHFFFAOYSA-N 0 3 309.753 2.240 20 5 DEBDHN CC[C@H](C)N[C@@H](CNc1c([N+](=O)[O-])ncn1C)c1ccco1 ZINC000343272695 403521466 /nfs/dbraw/zinc/52/14/66/403521466.db2.gz VMIXVVCVNWUTPZ-QWRGUYRKSA-N 0 3 307.354 2.463 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)C(C)(C)n1cncn1 ZINC000340519366 403634612 /nfs/dbraw/zinc/63/46/12/403634612.db2.gz YRPISDONFSKHCN-NSHDSACASA-N 0 3 319.365 2.108 20 5 DEBDHN C[C@H]1[C@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCCN1C ZINC000347262628 403640989 /nfs/dbraw/zinc/64/09/89/403640989.db2.gz NCZXNFMGCUQXSK-TVQRCGJNSA-N 0 3 310.329 2.338 20 5 DEBDHN CCN1CCN([C@H](C)CNc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000301522172 403641603 /nfs/dbraw/zinc/64/16/03/403641603.db2.gz LSTSGMGSTPTRAQ-CQSZACIVSA-N 0 3 306.410 2.341 20 5 DEBDHN Cc1cc(C(=O)N2CC[C@]3(C2)CCCN(C)C3)cc([N+](=O)[O-])c1 ZINC000294271703 403688926 /nfs/dbraw/zinc/68/89/26/403688926.db2.gz UHPAHAMJBDMTMV-QGZVFWFLSA-N 0 3 317.389 2.461 20 5 DEBDHN C[C@H](NC(=O)N[C@H]1CCCN(C)[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000343797112 403737699 /nfs/dbraw/zinc/73/76/99/403737699.db2.gz LFFPQMQDWBIHBA-HUBLWGQQSA-N 0 3 320.393 2.438 20 5 DEBDHN C[C@H](NC(=O)N[C@H]1CCCN(C)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000343797118 403738088 /nfs/dbraw/zinc/73/80/88/403738088.db2.gz LFFPQMQDWBIHBA-ZOWXZIJZSA-N 0 3 320.393 2.438 20 5 DEBDHN CCCN1CCC[C@H]1CNc1ncc(C(=O)OC)cc1[N+](=O)[O-] ZINC000343965326 403811301 /nfs/dbraw/zinc/81/13/01/403811301.db2.gz NHDGOLFQJLROTJ-LBPRGKRZSA-N 0 3 322.365 2.063 20 5 DEBDHN COc1ccc([C@@H](C)NCCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000341227699 403848018 /nfs/dbraw/zinc/84/80/18/403848018.db2.gz KDCGPHXEVJTNRL-GFCCVEGCSA-N 0 3 317.345 2.116 20 5 DEBDHN Cc1cccc(C(=O)N2CCN(C3CC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000295377989 403891963 /nfs/dbraw/zinc/89/19/63/403891963.db2.gz PIKFUQJBLCMRIL-LBPRGKRZSA-N 0 3 317.389 2.460 20 5 DEBDHN CNC(=O)c1ccc(NC(C)(C)CN2CCCC2)c([N+](=O)[O-])c1 ZINC000308668057 403960478 /nfs/dbraw/zinc/96/04/78/403960478.db2.gz OLZLXVWPFJMZQC-UHFFFAOYSA-N 0 3 320.393 2.241 20 5 DEBDHN CCNc1ccc(C(=O)N(C)C[C@@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000336864700 403938551 /nfs/dbraw/zinc/93/85/51/403938551.db2.gz ADWNMXUEZXNHQD-ZDUSSCGKSA-N 0 3 320.393 2.193 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCO[C@H](CN(C)C)C1 ZINC000182760765 292295468 /nfs/dbraw/zinc/29/54/68/292295468.db2.gz RKOYTSNJAYONDK-UKRRQHHQSA-N 0 3 307.394 2.227 20 5 DEBDHN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@H](N2CCCC2)C1 ZINC000344241530 404004248 /nfs/dbraw/zinc/00/42/48/404004248.db2.gz WTRBCJXNUHNAHA-AWEZNQCLSA-N 0 3 321.352 2.434 20 5 DEBDHN CN1CCC2(CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000362617594 403974346 /nfs/dbraw/zinc/97/43/46/403974346.db2.gz RKTAKGRECJRLQT-UHFFFAOYSA-N 0 3 309.391 2.357 20 5 DEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](N2CCOCC2)[C@@H]1C ZINC000352020189 404085473 /nfs/dbraw/zinc/08/54/73/404085473.db2.gz XPOVNKIYLGPBIF-YCPHGPKFSA-N 0 3 319.405 2.451 20 5 DEBDHN COc1cc(C[NH2+]CCC2CCOCC2)c([N+](=O)[O-])cc1[O-] ZINC000344303877 404043481 /nfs/dbraw/zinc/04/34/81/404043481.db2.gz CTPPYTDBOMCYBX-UHFFFAOYSA-N 0 3 310.350 2.215 20 5 DEBDHN O=[N+]([O-])c1ccc(CN[C@H](CO)[C@H]2CCCOC2)c(Cl)c1 ZINC000411988558 404047309 /nfs/dbraw/zinc/04/73/09/404047309.db2.gz ODYPLOAJVKOFKS-SMDDNHRTSA-N 0 3 314.769 2.125 20 5 DEBDHN CN(C)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1ccc(F)cc1 ZINC000290389209 404149530 /nfs/dbraw/zinc/14/95/30/404149530.db2.gz HZSMDUGEIUOTHY-GFCCVEGCSA-N 0 3 321.308 2.360 20 5 DEBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@H]2COc2ccccc2)c1 ZINC000296242972 404158797 /nfs/dbraw/zinc/15/87/97/404158797.db2.gz LCFWIVSROLDTEH-AWEZNQCLSA-N 0 3 316.361 2.335 20 5 DEBDHN C[C@@H]1CC[C@H](C)N1CC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000338319985 404363603 /nfs/dbraw/zinc/36/36/03/404363603.db2.gz AGJDACOTJDQIGC-OKILXGFUSA-N 0 3 319.405 2.469 20 5 DEBDHN CC[C@@H]1CCCCN1CCNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000342129475 404387227 /nfs/dbraw/zinc/38/72/27/404387227.db2.gz NGRNHWIRYMGXRH-GFCCVEGCSA-N 0 3 320.393 2.370 20 5 DEBDHN CC(=O)N1CC[C@H](NC/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000345044852 404515113 /nfs/dbraw/zinc/51/51/13/404515113.db2.gz RPEDBVJJKIECCI-PINLSGDHSA-N 0 3 303.362 2.209 20 5 DEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@H]1CC(=O)N(C2CC2)C1 ZINC000345045522 404515455 /nfs/dbraw/zinc/51/54/55/404515455.db2.gz VODRIMSXGBMTNI-VDBIKXPHSA-N 0 3 315.373 2.351 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000344923001 404448796 /nfs/dbraw/zinc/44/87/96/404448796.db2.gz WDIJATCHTUDMMJ-CMPLNLGQSA-N 0 3 322.365 2.208 20 5 DEBDHN CN1CCC(NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000291620626 404451526 /nfs/dbraw/zinc/45/15/26/404451526.db2.gz IJBRDILMNKQSQM-UHFFFAOYSA-N 0 3 320.393 2.223 20 5 DEBDHN C[C@@H](N[C@H]1CCCN(CCCO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000297265844 404525745 /nfs/dbraw/zinc/52/57/45/404525745.db2.gz KJAFIXRYSOYBNZ-HIFRSBDPSA-N 0 3 307.394 2.092 20 5 DEBDHN O=[N+]([O-])c1ccccc1OCCN1CC[C@H](n2cccn2)C1 ZINC000291860959 404554124 /nfs/dbraw/zinc/55/41/24/404554124.db2.gz PHTYOISUAXQOJI-ZDUSSCGKSA-N 0 3 302.334 2.117 20 5 DEBDHN CC(C)NC(=O)[C@H](C)N[C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000414329306 404579112 /nfs/dbraw/zinc/57/91/12/404579112.db2.gz BFMKQVQOJZHJPF-OLZOCXBDSA-N 0 3 307.394 2.419 20 5 DEBDHN CN1CC[C@@]2(CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000291917200 404580320 /nfs/dbraw/zinc/58/03/20/404580320.db2.gz RGXNMBBEFYQZGZ-OAHLLOKOSA-N 0 3 304.350 2.154 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])cc1CNCC1=CCN(C)CC1 ZINC000345187576 404602400 /nfs/dbraw/zinc/60/24/00/404602400.db2.gz OWWHILDRSLDQTN-UHFFFAOYSA-N 0 3 305.378 2.345 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000414666928 404703990 /nfs/dbraw/zinc/70/39/90/404703990.db2.gz XBZDWUCRVDGYQH-ZWNOBZJWSA-N 0 3 322.365 2.138 20 5 DEBDHN CCOc1cc(N2CC[C@H](OCCN(C)C)C2)ccc1[N+](=O)[O-] ZINC000356869309 404712516 /nfs/dbraw/zinc/71/25/16/404712516.db2.gz UVUHYSYIHDJQKX-AWEZNQCLSA-N 0 3 323.393 2.150 20 5 DEBDHN CCOc1cc(N[C@H]2CCN(CCOC)C2)ccc1[N+](=O)[O-] ZINC000356868330 404712730 /nfs/dbraw/zinc/71/27/30/404712730.db2.gz TXJLUADMHCYOLO-ZDUSSCGKSA-N 0 3 309.366 2.126 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000415292065 404841253 /nfs/dbraw/zinc/84/12/53/404841253.db2.gz HDDQELDAGGOFHM-QWRGUYRKSA-N 0 3 306.366 2.426 20 5 DEBDHN C[C@H](N[C@H]1CCN(c2cnn(C)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000360888859 404845412 /nfs/dbraw/zinc/84/54/12/404845412.db2.gz JUDNIOLMVYSGTI-JSGCOSHPSA-N 0 3 315.377 2.258 20 5 DEBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CCN(C)C ZINC000360952274 404860585 /nfs/dbraw/zinc/86/05/85/404860585.db2.gz YOFDVWLUYZRWJB-AWEZNQCLSA-N 0 3 307.394 2.184 20 5 DEBDHN CNc1c(C(=O)NCCN2CCCCCC2)cccc1[N+](=O)[O-] ZINC000361122541 404931331 /nfs/dbraw/zinc/93/13/31/404931331.db2.gz KXLNPKHKJNOKHC-UHFFFAOYSA-N 0 3 320.393 2.242 20 5 DEBDHN C[C@@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)[C@@H](C)CN1C ZINC000408102109 405112940 /nfs/dbraw/zinc/11/29/40/405112940.db2.gz ABALNKBEYQZPNO-BDAKNGLRSA-N 0 3 307.379 2.128 20 5 DEBDHN CN1CC[C@@H]2CCN(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)[C@H]2C1 ZINC000408277198 405159855 /nfs/dbraw/zinc/15/98/55/405159855.db2.gz NQFLMLNSDIZLLX-YGRLFVJLSA-N 0 3 322.340 2.292 20 5 DEBDHN C[C@@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])N1CCCC[C@H]1C ZINC000354401879 405196304 /nfs/dbraw/zinc/19/63/04/405196304.db2.gz XPRVUSDXXKKCSO-NEPJUHHUSA-N 0 3 320.393 2.170 20 5 DEBDHN CN(C(=O)CN1CC[C@@H]2CCC[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000426461742 405361807 /nfs/dbraw/zinc/36/18/07/405361807.db2.gz TUFFXRMHNYURLJ-SWLSCSKDSA-N 0 3 303.362 2.432 20 5 DEBDHN C[C@H]1CCN(C)CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000446107747 405373004 /nfs/dbraw/zinc/37/30/04/405373004.db2.gz IIYYZTCWUKXANS-ZDUSSCGKSA-N 0 3 305.378 2.080 20 5 DEBDHN CN(CCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000429902490 405454863 /nfs/dbraw/zinc/45/48/63/405454863.db2.gz MQFDWFVTOFEQCF-UHFFFAOYSA-N 0 3 305.378 2.083 20 5 DEBDHN CC(C)[C@@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000492994232 405521702 /nfs/dbraw/zinc/52/17/02/405521702.db2.gz ZQKCCDAPZGNXQB-FSNWXROXSA-N 0 3 317.389 2.407 20 5 DEBDHN CC/C=C/CNCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000449460349 405570146 /nfs/dbraw/zinc/57/01/46/405570146.db2.gz RNMPSHOQXYQBFF-SNAWJCMRSA-N 0 3 308.334 2.202 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCCC1(C)C ZINC000457070205 405679588 /nfs/dbraw/zinc/67/95/88/405679588.db2.gz GKTBGEXLJKEXNX-UHFFFAOYSA-N 0 3 321.377 2.208 20 5 DEBDHN C[C@H](C(=O)N1CC[C@H](N2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000558689879 405689793 /nfs/dbraw/zinc/68/97/93/405689793.db2.gz LEWCNJUNENHFFS-BBRMVZONSA-N 0 3 317.389 2.395 20 5 DEBDHN C[C@@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)N(C)C ZINC000459042103 405710214 /nfs/dbraw/zinc/71/02/14/405710214.db2.gz OMQHYQNQLSDSDJ-LBPRGKRZSA-N 0 3 320.393 2.219 20 5 DEBDHN CSc1ccc(C(=O)NC(C)(C)CN(C)C)cc1[N+](=O)[O-] ZINC000457218380 405757859 /nfs/dbraw/zinc/75/78/59/405757859.db2.gz IFUPDTYGIOPAEB-UHFFFAOYSA-N 0 3 311.407 2.387 20 5 DEBDHN CN(C)CCOCCNc1nccc2c1cccc2[N+](=O)[O-] ZINC000450425675 405890162 /nfs/dbraw/zinc/89/01/62/405890162.db2.gz OATJBUYZMBPRMD-UHFFFAOYSA-N 0 3 304.350 2.133 20 5 DEBDHN CC1(C)CC(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000433230867 405903924 /nfs/dbraw/zinc/90/39/24/405903924.db2.gz WDDZNUDBXNJYQE-UHFFFAOYSA-N 0 3 312.391 2.147 20 5 DEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC2CC3(CCC3)C2)cc1 ZINC000459486401 405924460 /nfs/dbraw/zinc/92/44/60/405924460.db2.gz PSMWRKJLLFHZIN-UHFFFAOYSA-N 0 3 324.402 2.291 20 5 DEBDHN C[C@H](NC[C@@H](O)COCc1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000451101963 406052406 /nfs/dbraw/zinc/05/24/06/406052406.db2.gz AXNMANXLWHAJSR-SWLSCSKDSA-N 0 3 320.345 2.416 20 5 DEBDHN Cc1nc(N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000488729950 406341434 /nfs/dbraw/zinc/34/14/34/406341434.db2.gz GXECKQAKUQBGMW-LALPHHSUSA-N 0 3 304.394 2.465 20 5 DEBDHN Cc1cc(N[C@H]2CCn3ccnc3C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000489922709 406439115 /nfs/dbraw/zinc/43/91/15/406439115.db2.gz HNVHTRBRNMNGEU-LBPRGKRZSA-N 0 3 323.356 2.497 20 5 DEBDHN O=C(/C=C\c1ccccc1[N+](=O)[O-])NCCN1CCCCC1 ZINC000491092206 406526476 /nfs/dbraw/zinc/52/64/76/406526476.db2.gz LHAOJPKEFIDALY-HJWRWDBZSA-N 0 3 303.362 2.210 20 5 DEBDHN O=[N+]([O-])c1ccccc1CN1CCC[C@H](N2CCOCC2)CC1 ZINC000550658279 406606668 /nfs/dbraw/zinc/60/66/68/406606668.db2.gz HJYFNEKHCXWWEY-INIZCTEOSA-N 0 3 319.405 2.282 20 5 DEBDHN CCCCN(C)CCNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000491879189 406760396 /nfs/dbraw/zinc/76/03/96/406760396.db2.gz ANHZUBAZKQSDSV-HJWRWDBZSA-N 0 3 305.378 2.456 20 5 DEBDHN C[C@H]1CCN(CCNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000491940676 406784844 /nfs/dbraw/zinc/78/48/44/406784844.db2.gz RBSPHOIRKZWNNK-IRBQFCFKSA-N 0 3 303.362 2.066 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@@]1(O)CCOC1)CCCC2 ZINC000417307138 229005418 /nfs/dbraw/zinc/00/54/18/229005418.db2.gz FIVQBZXOQJYMAL-HOTGVXAUSA-N 0 3 306.362 2.103 20 5 DEBDHN CC[C@H](C)N1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000450857826 273744290 /nfs/dbraw/zinc/74/42/90/273744290.db2.gz KNOTZCRESYMFFX-LBPRGKRZSA-N 0 3 304.394 2.483 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)C[C@@H]1CCCN1C ZINC000421088693 274099622 /nfs/dbraw/zinc/09/96/22/274099622.db2.gz DGMLTOWFWCJPOA-LBPRGKRZSA-N 0 3 322.365 2.161 20 5 DEBDHN CS[C@@H]1CN(c2ccc([N+](=O)[O-])c(C)n2)C[C@H]1N1CCCC1 ZINC000274635030 274182321 /nfs/dbraw/zinc/18/23/21/274182321.db2.gz CZTZHMFWYSNOJX-ZIAGYGMSSA-N 0 3 322.434 2.314 20 5 DEBDHN C[C@@H]1OCC[C@@]1(O)CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278757547 274422001 /nfs/dbraw/zinc/42/20/01/274422001.db2.gz KMLDTAYZQYLXGS-IUIKQTSFSA-N 0 3 306.362 2.102 20 5 DEBDHN O=C1[C@@H](N2CC[C@H](C3CC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000344022119 275027977 /nfs/dbraw/zinc/02/79/77/275027977.db2.gz CVTNTBPRCSTVQE-BBRMVZONSA-N 0 3 315.373 2.432 20 5 DEBDHN O=[N+]([O-])c1cnc(N2CCN(CC3CCCCC3)CC2)nc1 ZINC000302180044 275041033 /nfs/dbraw/zinc/04/10/33/275041033.db2.gz ZBCWXZHZXPSNMW-UHFFFAOYSA-N 0 3 305.382 2.087 20 5 DEBDHN CN1CCC[C@@]2(CCN(c3nc4sccn4c3[N+](=O)[O-])C2)C1 ZINC000292683314 277073030 /nfs/dbraw/zinc/07/30/30/277073030.db2.gz DTIMGDCDEFKIAK-CQSZACIVSA-N 0 3 321.406 2.226 20 5 DEBDHN COCCO[C@@H]1COCC[C@H]1N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000362714022 277540099 /nfs/dbraw/zinc/54/00/99/277540099.db2.gz CNGUQMSCOCHJHP-DAXOMENPSA-N 0 3 324.377 2.066 20 5 DEBDHN COC[C@@H](CCO)N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279200972 277564082 /nfs/dbraw/zinc/56/40/82/277564082.db2.gz XHQNTOFHAKTSEA-IAQYHMDHSA-N 0 3 308.378 2.304 20 5 DEBDHN CC(C)c1ccc(CNC[C@@]2(C)CCC(=O)N2)cc1[N+](=O)[O-] ZINC000453595160 278037573 /nfs/dbraw/zinc/03/75/73/278037573.db2.gz XWQNKTQRTGFGGW-MRXNPFEDSA-N 0 3 305.378 2.477 20 5 DEBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@@H]2CCCN2C)c1 ZINC000421703778 278174845 /nfs/dbraw/zinc/17/48/45/278174845.db2.gz NACFAGCDGSCOTO-NSHDSACASA-N 0 3 323.418 2.483 20 5 DEBDHN C[C@@H](NCCN1C[C@H]2CC[C@@H](C1)O2)c1ccc([N+](=O)[O-])cc1 ZINC000453359585 278347355 /nfs/dbraw/zinc/34/73/55/278347355.db2.gz UOPUSMZCHIXBRP-WQVCFCJDSA-N 0 3 305.378 2.109 20 5 DEBDHN C[C@H](CN1CCCCC1)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000132499355 279303008 /nfs/dbraw/zinc/30/30/08/279303008.db2.gz YSNZJLJLYZUXGH-LLVKDONJSA-N 0 3 309.341 2.338 20 5 DEBDHN C[C@H](Nc1ncc([N+](=O)[O-])cn1)[C@@H](c1ccccc1)N(C)C ZINC000281065807 279556437 /nfs/dbraw/zinc/55/64/37/279556437.db2.gz ZRAGFBUBDRZCFX-FZMZJTMJSA-N 0 3 301.350 2.488 20 5 DEBDHN COc1cccc(C(=O)N[C@H](C)CN2CCCCC2)c1[N+](=O)[O-] ZINC000195419924 295288431 /nfs/dbraw/zinc/28/84/31/295288431.db2.gz QGDNQHQMNUMVEG-GFCCVEGCSA-N 0 3 321.377 2.208 20 5 DEBDHN CC(C)Oc1nc(N2CC[C@H]3CC[C@@H](C2)N3C)ccc1[N+](=O)[O-] ZINC000574290315 326141234 /nfs/dbraw/zinc/14/12/34/326141234.db2.gz KWMNFRSHJAIBBK-OLZOCXBDSA-N 0 3 320.393 2.450 20 5 DEBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H](N2CCCCC2)C1 ZINC000575018505 326210700 /nfs/dbraw/zinc/21/07/00/326210700.db2.gz FZRSSJUBJQAQRH-ZDUSSCGKSA-N 0 3 307.398 2.184 20 5 DEBDHN O=C1CC[C@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])[C@H](C2CC2)N1 ZINC000582370206 336945556 /nfs/dbraw/zinc/94/55/56/336945556.db2.gz JASXRQRDPHCWKE-ZQIUZPCESA-N 0 3 315.373 2.229 20 5 DEBDHN CCO[C@@H]1C[C@@H]1N[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000583242976 337285441 /nfs/dbraw/zinc/28/54/41/337285441.db2.gz YQBIPVVBYLDWCF-DDTOSNHZSA-N 0 3 307.350 2.079 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000584437764 337325324 /nfs/dbraw/zinc/32/53/24/337325324.db2.gz WLYFOJYSPOQAQK-QWHCGFSZSA-N 0 3 303.362 2.212 20 5 DEBDHN C[C@@H](C(=O)N1CCN(C)CC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000584444492 337326246 /nfs/dbraw/zinc/32/62/46/337326246.db2.gz NBDQFMLRFJYWLD-QWHCGFSZSA-N 0 3 305.378 2.251 20 5 DEBDHN CCCCN1CCCC[C@H]1CNC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000338420591 520587111 /nfs/dbraw/zinc/58/71/11/520587111.db2.gz FGLNHEOWZCVQMT-LBPRGKRZSA-N 0 3 323.397 2.011 20 5 DEBDHN CC(C)(C)OC(=O)CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373247593 534741563 /nfs/dbraw/zinc/74/15/63/534741563.db2.gz ZXEBBVDRQRCFBE-UHFFFAOYSA-N 0 3 324.381 2.160 20 5 DEBDHN C[C@@H]1CC[C@@H](C)N1CC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000338319987 524575389 /nfs/dbraw/zinc/57/53/89/524575389.db2.gz AGJDACOTJDQIGC-ZIAGYGMSSA-N 0 3 319.405 2.469 20 5 DEBDHN O=[N+]([O-])c1ccc2ccnc(NCCN3CCC(O)CC3)c2c1 ZINC000413309522 534885141 /nfs/dbraw/zinc/88/51/41/534885141.db2.gz BOHIQJPWAGWPKI-UHFFFAOYSA-N 0 3 316.361 2.012 20 5 DEBDHN CCN1CCCN(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000297522856 529029198 /nfs/dbraw/zinc/02/91/98/529029198.db2.gz HRQVWFXLBAZRRD-ZDUSSCGKSA-N 0 3 320.393 2.393 20 5 DEBDHN CC(C)N1CC[C@@H](N[C@@H](C)Cc2ccccc2[N+](=O)[O-])C1=O ZINC000449153329 535238424 /nfs/dbraw/zinc/23/84/24/535238424.db2.gz CZDWETVHYWVXRL-GXTWGEPZSA-N 0 3 305.378 2.125 20 5 DEBDHN COc1cc(CNCC[N@@H+]2CCCC2(C)C)c([N+](=O)[O-])cc1[O-] ZINC000449779704 536797593 /nfs/dbraw/zinc/79/75/93/536797593.db2.gz DRBKKYGBYXWQPC-UHFFFAOYSA-N 0 3 323.393 2.273 20 5 DEBDHN COc1cc(CNCC[N@H+]2CCCC2(C)C)c([N+](=O)[O-])cc1[O-] ZINC000449779704 536797602 /nfs/dbraw/zinc/79/76/02/536797602.db2.gz DRBKKYGBYXWQPC-UHFFFAOYSA-N 0 3 323.393 2.273 20 5 DEBDHN C[C@@H](CN1CCOCC1)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443765 623984186 /nfs/dbraw/zinc/98/41/86/623984186.db2.gz WNOLFMCZGNOGHQ-NSHDSACASA-N 0 3 313.785 2.059 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@H]2CCCN2C)c1C ZINC000891904428 624655910 /nfs/dbraw/zinc/65/59/10/624655910.db2.gz BQTNGIHIVGPUKO-CYBMUJFWSA-N 0 3 305.378 2.378 20 5 DEBDHN CCn1cc(C(=O)OCC(C)[N+](=O)[O-])c(-c2ccccc2)n1 ZINC000893047502 625078695 /nfs/dbraw/zinc/07/86/95/625078695.db2.gz LZLWLJAELDDCBV-LLVKDONJSA-N 0 3 303.318 2.392 20 5 DEBDHN COc1c(O)ccc(CNC[C@H](OC)C(C)(C)C)c1[N+](=O)[O-] ZINC000893087150 625101417 /nfs/dbraw/zinc/10/14/17/625101417.db2.gz WQCUMFDWODYYRN-LBPRGKRZSA-N 0 3 312.366 2.460 20 5 DEBDHN CC(C)(F)C(=O)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001019928820 625856101 /nfs/dbraw/zinc/85/61/01/625856101.db2.gz OEGINUFLSOPZLV-HAQNSBGRSA-N 0 3 309.341 2.080 20 5 DEBDHN COc1c([O-])ccc(C[NH2+]CCc2ncccc2C)c1[N+](=O)[O-] ZINC000894715484 637173504 /nfs/dbraw/zinc/17/35/04/637173504.db2.gz NKPKRUFIATWPKA-UHFFFAOYSA-N 0 3 317.345 2.345 20 5 DEBDHN COc1c(O)ccc(CNCCc2ncccc2C)c1[N+](=O)[O-] ZINC000894715484 637173506 /nfs/dbraw/zinc/17/35/06/637173506.db2.gz NKPKRUFIATWPKA-UHFFFAOYSA-N 0 3 317.345 2.345 20 5 DEBDHN COc1c([O-])ccc(C[NH2+]CCC[C@@H]2CCOC2)c1[N+](=O)[O-] ZINC000894770157 637199213 /nfs/dbraw/zinc/19/92/13/637199213.db2.gz ZDSGORGVSXYIDF-LLVKDONJSA-N 0 3 310.350 2.215 20 5 DEBDHN C[C@H](N[C@@H]1CCCC(F)(F)[C@H]1O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840886287 650371364 /nfs/dbraw/zinc/37/13/64/650371364.db2.gz AITRSRZPWOWYJW-KDDOJWQBSA-N 0 3 315.320 2.376 20 5 DEBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@@H](n3ccnc3)C2)c1 ZINC000749682442 638670735 /nfs/dbraw/zinc/67/07/35/638670735.db2.gz IUZIREBRBXFALJ-HZPDHXFCSA-N 0 3 316.361 2.162 20 5 DEBDHN CN1CCC2(CCN2c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000897133200 639199292 /nfs/dbraw/zinc/19/92/92/639199292.db2.gz GPDBXDANUDBMBS-UHFFFAOYSA-N 0 3 306.322 2.178 20 5 DEBDHN O=[N+]([O-])c1ccc(Cl)cc1CN[C@H](CO)[C@@H]1CCCOC1 ZINC000839650880 639779222 /nfs/dbraw/zinc/77/92/22/639779222.db2.gz NMYSDOMECLUWRQ-ZWNOBZJWSA-N 0 3 314.769 2.125 20 5 DEBDHN C[C@H]1COCCN1CCNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761531131 640321366 /nfs/dbraw/zinc/32/13/66/640321366.db2.gz ANYFMDAVLHNAAH-NSHDSACASA-N 0 3 313.785 2.059 20 5 DEBDHN CN(CCc1ccccc1F)CCn1cc([N+](=O)[O-])ccc1=O ZINC000761670579 640334782 /nfs/dbraw/zinc/33/47/82/640334782.db2.gz YSNROLODQXTAIX-UHFFFAOYSA-N 0 3 319.336 2.070 20 5 DEBDHN Cn1cc([C@@]2(CNCc3cccc([N+](=O)[O-])c3)CCCO2)cn1 ZINC000898060551 641012907 /nfs/dbraw/zinc/01/29/07/641012907.db2.gz DVCDOHPEXLUSLG-INIZCTEOSA-N 0 3 316.361 2.124 20 5 DEBDHN O=[N+]([O-])c1ccccc1/C=C/CNCc1cnc2n1CCOC2 ZINC000898269740 641077797 /nfs/dbraw/zinc/07/77/97/641077797.db2.gz BBKFLTIBJDBUAJ-HWKANZROSA-N 0 3 314.345 2.125 20 5 DEBDHN CN(Cc1cccc(O)c1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776593803 642190773 /nfs/dbraw/zinc/19/07/73/642190773.db2.gz ZFKSNFGGOHSQTL-INIZCTEOSA-N 0 3 302.330 2.466 20 5 DEBDHN Cc1cc(Cc2noc([C@@]3(C)CCCN3)n2)ccc1[N+](=O)[O-] ZINC000904626318 643708834 /nfs/dbraw/zinc/70/88/34/643708834.db2.gz KKVVOTCGHSSBPH-OAHLLOKOSA-N 0 3 302.334 2.476 20 5 DEBDHN CC(C)(C)OC(=O)N1CCCCC[C@@H]1CNCC[N+](=O)[O-] ZINC000905688838 643996075 /nfs/dbraw/zinc/99/60/75/643996075.db2.gz ILFCMCAGCUWNDG-GFCCVEGCSA-N 0 3 301.387 2.032 20 5 DEBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)C1(O)CCCC1 ZINC000905923433 644087723 /nfs/dbraw/zinc/08/77/23/644087723.db2.gz JRRJDAUCTZMFSP-MRXNPFEDSA-N 0 3 322.405 2.471 20 5 DEBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@@H](O)c1ccc(F)cn1 ZINC000796116054 644687222 /nfs/dbraw/zinc/68/72/22/644687222.db2.gz RWXDREOOEOPGBU-MRXNPFEDSA-N 0 3 319.336 2.337 20 5 DEBDHN O=[N+]([O-])c1cnc(NC2CCN(C[C@H]3CCCO3)CC2)c(F)c1 ZINC000840243860 646596734 /nfs/dbraw/zinc/59/67/34/646596734.db2.gz OTICAXWNRFYHGF-CYBMUJFWSA-N 0 3 324.356 2.184 20 5 DEBDHN CC(COC(=O)c1cc(N(C)C)c2ccccc2n1)[N+](=O)[O-] ZINC000813103775 646728846 /nfs/dbraw/zinc/72/88/46/646728846.db2.gz SYLAWPMWHGVLFP-SNVBAGLBSA-N 0 3 303.318 2.123 20 5 DEBDHN COCCOc1ccc(C(=O)OCC(C)[N+](=O)[O-])c(Cl)c1 ZINC000813103055 646728854 /nfs/dbraw/zinc/72/88/54/646728854.db2.gz MOGNTZWJQXNBAT-SECBINFHSA-N 0 3 317.725 2.187 20 5 DEBDHN Cc1cc(C)n(-c2ccc(C(=O)OCC(C)[N+](=O)[O-])cc2F)n1 ZINC000813104843 646729888 /nfs/dbraw/zinc/72/98/88/646729888.db2.gz SIKXNKONYUOLKY-NSHDSACASA-N 0 3 321.308 2.450 20 5 DEBDHN CC(COC(=O)COc1ccc(Cl)c2cccnc12)[N+](=O)[O-] ZINC000813109502 646730585 /nfs/dbraw/zinc/73/05/85/646730585.db2.gz UQKXVJKBDPPKEW-SECBINFHSA-N 0 3 324.720 2.475 20 5 DEBDHN CC(COC(=O)c1ccc(OCc2cccnc2)cc1)[N+](=O)[O-] ZINC000813109953 646730783 /nfs/dbraw/zinc/73/07/83/646730783.db2.gz XUNHIJXWPLTSCW-GFCCVEGCSA-N 0 3 316.313 2.483 20 5 DEBDHN CC(=O)CCc1ccc(O[C@H](C)C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813111361 646731269 /nfs/dbraw/zinc/73/12/69/646731269.db2.gz RYGGAVRYRFDVAF-DGCLKSJQSA-N 0 3 323.345 2.184 20 5 DEBDHN CC(COC(=O)c1ccc(OCc2ccccc2)nc1)[N+](=O)[O-] ZINC000813111696 646731375 /nfs/dbraw/zinc/73/13/75/646731375.db2.gz KIUAYWUKUYKCOI-LBPRGKRZSA-N 0 3 316.313 2.483 20 5 DEBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1-c1ccccc1F ZINC000813110761 646731383 /nfs/dbraw/zinc/73/13/83/646731383.db2.gz IUGQFPYETDRCDS-VIFPVBQESA-N 0 3 307.281 2.142 20 5 DEBDHN CSc1cccc(C(=O)OCC(C)[N+](=O)[O-])c1[N+](=O)[O-] ZINC000813114723 646732246 /nfs/dbraw/zinc/73/22/46/646732246.db2.gz VTJQAHJUODONNV-SSDOTTSWSA-N 0 3 300.292 2.139 20 5 DEBDHN CC(COC(=O)c1cc(Cl)nc(N2CCCC2)c1)[N+](=O)[O-] ZINC000813113239 646732663 /nfs/dbraw/zinc/73/26/63/646732663.db2.gz CIHLICIFXAJAHJ-SECBINFHSA-N 0 3 313.741 2.157 20 5 DEBDHN Cn1ncc2c1CCC[C@@H]2NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818952407 647547362 /nfs/dbraw/zinc/54/73/62/647547362.db2.gz LCXHSIDPNOZJOK-GOEBONIOSA-N 0 3 316.361 2.029 20 5 DEBDHN Cc1nc(C)c(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)s1 ZINC000819103261 647583753 /nfs/dbraw/zinc/58/37/53/647583753.db2.gz FXIACYGNUZUSHI-ZDUSSCGKSA-N 0 3 307.375 2.491 20 5 DEBDHN CO[C@H]1CC[C@@H](N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000821354494 648042080 /nfs/dbraw/zinc/04/20/80/648042080.db2.gz GSJDJSOOKGNRLP-ZBFHGGJFSA-N 0 3 305.378 2.284 20 5 DEBDHN CCN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C)C1 ZINC000855364224 651683962 /nfs/dbraw/zinc/68/39/62/651683962.db2.gz ZJRDOTKDRLKIAH-RZIFZGNASA-N 0 3 303.362 2.161 20 5 DEBDHN CC(C)[C@@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CCN1 ZINC000856485261 651940713 /nfs/dbraw/zinc/94/07/13/651940713.db2.gz WABNKJVOLIJTDU-KKTNHOPESA-N 0 3 303.362 2.064 20 5 DEBDHN CC(COC(=O)c1c(C(F)(F)F)nc2n1CCCC2)[N+](=O)[O-] ZINC000851036009 652050092 /nfs/dbraw/zinc/05/00/92/652050092.db2.gz DJRCRXDLMSZRJH-SSDOTTSWSA-N 0 3 321.255 2.060 20 5 DEBDHN O=C1CC[C@@H](CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)O1 ZINC000852134866 652349385 /nfs/dbraw/zinc/34/93/85/652349385.db2.gz IOZZGLQJSHCXIH-HIFRSBDPSA-N 0 3 304.346 2.480 20 5 DEBDHN C[C@@H]1C[C@@H](NC(=O)Cc2cccc(F)c2[N+](=O)[O-])CN1C1CC1 ZINC000866457605 687579431 /nfs/dbraw/zinc/57/94/31/687579431.db2.gz QXLVSNHFDXNXCW-ZYHUDNBSSA-N 0 3 321.352 2.018 20 5 DEBDHN COc1ccc(C(=O)N2CCN(C)C(C)(C)CC2)cc1[N+](=O)[O-] ZINC000871151273 688735750 /nfs/dbraw/zinc/73/57/50/688735750.db2.gz YAERXYMXLPVGRC-UHFFFAOYSA-N 0 3 321.377 2.160 20 5 DEBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H]1CCCNC1=O ZINC000872080741 688923771 /nfs/dbraw/zinc/92/37/71/688923771.db2.gz YXHCTFSXLQITQE-QWRGUYRKSA-N 0 3 323.418 2.494 20 5 DEBDHN CCOC(=O)N1CC[C@@H](NCc2cccc([N+](=O)[O-])c2C)C1 ZINC000873107124 689159159 /nfs/dbraw/zinc/15/91/59/689159159.db2.gz JNEHBAUOUGDKLT-CYBMUJFWSA-N 0 3 307.350 2.224 20 5 DEBDHN Cc1c(CNCCC(C)(C)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000873132588 689165767 /nfs/dbraw/zinc/16/57/67/689165767.db2.gz YMTQILBYKLGMFV-UHFFFAOYSA-N 0 3 314.407 2.206 20 5 DEBDHN Cc1ccc(C(=O)N2CC[C@H]3[C@H]2CCCN3C)cc1[N+](=O)[O-] ZINC000874849337 689518252 /nfs/dbraw/zinc/51/82/52/689518252.db2.gz JJRDAZGAIRJCRR-UONOGXRCSA-N 0 3 303.362 2.212 20 5 DEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000931057509 694305951 /nfs/dbraw/zinc/30/59/51/694305951.db2.gz PEDNBOBSQVIEPW-IUODEOHRSA-N 0 3 318.377 2.379 20 5 DEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CCN(C)[C@H]1C ZINC000931058324 694305991 /nfs/dbraw/zinc/30/59/91/694305991.db2.gz WQVARUNYMXKMRH-RYUDHWBXSA-N 0 3 306.366 2.426 20 5 DEBDHN Cc1ccc(CN2CCC3(CCNC3=O)CC2)cc1[N+](=O)[O-] ZINC000877783368 690227098 /nfs/dbraw/zinc/22/70/98/690227098.db2.gz QKAHYKAWZIKSIW-UHFFFAOYSA-N 0 3 303.362 2.005 20 5 DEBDHN C[C@H](NC[C@H](O)CC1(O)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000878659379 690469249 /nfs/dbraw/zinc/46/92/49/690469249.db2.gz BXBAFWLQCMUMFA-SWLSCSKDSA-N 0 3 308.378 2.302 20 5 DEBDHN CN1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C(C)(C)C ZINC000878840122 690510846 /nfs/dbraw/zinc/51/08/46/690510846.db2.gz KNZFVJFCWHKCSN-JKSUJKDBSA-N 0 3 321.421 2.290 20 5 DEBDHN CN1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C(C)(C)C ZINC000878840563 690511721 /nfs/dbraw/zinc/51/17/21/690511721.db2.gz OGPQVXJPRUVOBR-HZPDHXFCSA-N 0 3 321.421 2.290 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](c2nccs2)C1 ZINC000880323701 690869953 /nfs/dbraw/zinc/86/99/53/690869953.db2.gz UXANLTACGDNCMC-NSHDSACASA-N 0 3 307.379 2.046 20 5 DEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000931495353 694413145 /nfs/dbraw/zinc/41/31/45/694413145.db2.gz JGHXLZLDNUNTRW-WFASDCNBSA-N 0 3 318.377 2.325 20 5 DEBDHN O=C1C[C@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])CN1CC1CC1 ZINC000883396881 691497289 /nfs/dbraw/zinc/49/72/89/691497289.db2.gz YVOSUSKUVORHNU-SWLSCSKDSA-N 0 3 315.373 2.183 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN[C@@H](C(C)C)C2)c1C ZINC000884266995 691696205 /nfs/dbraw/zinc/69/62/05/691696205.db2.gz OZOHAJWXIVCPTG-CYBMUJFWSA-N 0 3 305.378 2.282 20 5 DEBDHN O=[N+]([O-])c1ccc(Cl)cc1CN[C@@H](CO)C[C@@H]1CCCO1 ZINC000886226823 692030294 /nfs/dbraw/zinc/03/02/94/692030294.db2.gz RZUAPVIBDJWZRH-OLZOCXBDSA-N 0 3 314.769 2.268 20 5 DEBDHN CCC[C@H](NCCN1CCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000886740616 692180347 /nfs/dbraw/zinc/18/03/47/692180347.db2.gz CLXPSGYIKNCPRQ-AWEZNQCLSA-N 0 3 306.366 2.051 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(C(=O)NCCN2CCC(C)(C)C2)c1 ZINC000890079043 692856597 /nfs/dbraw/zinc/85/65/97/692856597.db2.gz QEKAWYWSPQDICU-UHFFFAOYSA-N 0 3 321.377 2.065 20 5 DEBDHN CC(COC(=O)C1=Cc2ccccc2O[C@@H]1C(F)F)[N+](=O)[O-] ZINC001343646119 1150760129 /nfs/dbraw/zinc/76/01/29/1150760129.db2.gz ALHGYSBNCNDFPY-UFBFGSQYSA-N 0 3 313.256 2.305 20 5 DEBDHN CC([C@@H](OC(=O)[C@]1(F)CCOC1)c1ccccc1F)[N+](=O)[O-] ZINC001343838831 1150777353 /nfs/dbraw/zinc/77/73/53/1150777353.db2.gz SZGUELQITDZMSH-IUPBHXKESA-N 0 3 315.272 2.204 20 5 DEBDHN COCCN1CC[C@@H](Nc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001353244293 1151819652 /nfs/dbraw/zinc/81/96/52/1151819652.db2.gz ASWRICVYVVRGBC-GFCCVEGCSA-N 0 3 316.361 2.276 20 5 DEBDHN C[C@@H]1CN(c2cnc3cc([N+](=O)[O-])ccc3n2)[C@@H](C)CN1C ZINC001164640698 719169253 /nfs/dbraw/zinc/16/92/53/719169253.db2.gz VMFRKBXMZWBMHA-MNOVXSKESA-N 0 3 301.350 2.067 20 5 DEBDHN C[C@@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)[C@H](C)CN1C ZINC001164631794 719250502 /nfs/dbraw/zinc/25/05/02/719250502.db2.gz GDYIVAJNLUKVLF-GHMZBOCLSA-N 0 3 301.350 2.067 20 5 DEBDHN CCOC(=O)COCCN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001167178988 776751688 /nfs/dbraw/zinc/75/16/88/776751688.db2.gz RCMYENMHHDCLGB-UHFFFAOYSA-N 0 3 324.377 2.385 20 5 DEBDHN COC[C@H](CCNCc1cc([N+](=O)[O-])ccc1Cl)OC ZINC000694374998 777809683 /nfs/dbraw/zinc/80/96/83/777809683.db2.gz NPAVKDUDXGMWNB-LBPRGKRZSA-N 0 3 302.758 2.389 20 5 DEBDHN COCCN1CCC(Oc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC001226132316 779138838 /nfs/dbraw/zinc/13/88/38/779138838.db2.gz XUCYGIQDYMABDB-UHFFFAOYSA-N 0 3 315.757 2.133 20 5 DEBDHN CC(C(=O)NCCNCc1ccc([N+](=O)[O-])cc1)=C1CCC1 ZINC001126876020 781013666 /nfs/dbraw/zinc/01/36/66/781013666.db2.gz XXYUNUBVBPPGHC-UHFFFAOYSA-N 0 3 303.362 2.301 20 5 DEBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCN(Cc3ccccc3)CC2)C1 ZINC001169012688 785003242 /nfs/dbraw/zinc/00/32/42/785003242.db2.gz RPUOGTAYQHFTJG-SJORKVTESA-N 0 3 303.406 2.250 20 5 DEBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2CCN(c3cc(Cl)ccn3)CC2)C1 ZINC001169038429 785012886 /nfs/dbraw/zinc/01/28/86/785012886.db2.gz YSQJRRRINWEEAW-JSGCOSHPSA-N 0 3 324.812 2.302 20 5 DEBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2CCN(c3cc(Cl)ccn3)CC2)C1 ZINC001169038427 785013104 /nfs/dbraw/zinc/01/31/04/785013104.db2.gz YSQJRRRINWEEAW-GXTWGEPZSA-N 0 3 324.812 2.302 20 5 DEBDHN C[C@H](N)c1ccn(-c2ncc([N+](=O)[O-])cc2C(F)(F)F)n1 ZINC001169233413 785098243 /nfs/dbraw/zinc/09/82/43/785098243.db2.gz PYVMBQLWEAFOMW-LURJTMIESA-N 0 3 301.228 2.214 20 5 DEBDHN O=C(CNc1cc2c(cc1[N+](=O)[O-])CNC2)Cc1ccccc1 ZINC001170186646 786832821 /nfs/dbraw/zinc/83/28/21/786832821.db2.gz VJQBQDMKDGJJAM-UHFFFAOYSA-N 0 3 311.341 2.422 20 5 DEBDHN COc1ccc(C[C@@H](C)NC[C@@H](F)C(C)(C)O)c([N+](=O)[O-])c1 ZINC001170327473 786909489 /nfs/dbraw/zinc/90/94/89/786909489.db2.gz RXAWVWLOHGNLHN-QMTHXVAHSA-N 0 3 314.357 2.233 20 5 DEBDHN COc1ccc(C[C@H](C)N2CC[C@H](O)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001170353406 786916959 /nfs/dbraw/zinc/91/69/59/786916959.db2.gz XSSDDJYMHOHGAM-SCRDCRAPSA-N 0 3 308.378 2.380 20 5 DEBDHN O=C(Cc1ccccc1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001130347785 787354416 /nfs/dbraw/zinc/35/44/16/787354416.db2.gz YUQKXCPSGDVYFW-UHFFFAOYSA-N 0 3 313.357 2.043 20 5 DEBDHN C[C@H](Nc1ncc(C(C)(C)C)cc1[N+](=O)[O-])[C@H]1CNCCO1 ZINC001170561468 787628858 /nfs/dbraw/zinc/62/88/58/787628858.db2.gz FKKINNKWNPJPNS-GXFFZTMASA-N 0 3 308.382 2.076 20 5 DEBDHN C=C/C(C)=C\CC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001132492842 788104569 /nfs/dbraw/zinc/10/45/69/788104569.db2.gz KALLUPHGWCIONY-QPEQYQDCSA-N 0 3 303.362 2.323 20 5 DEBDHN CCCN(C)CC(=O)N(C)CCNc1cc(C)ccc1[N+](=O)[O-] ZINC001101705842 793330562 /nfs/dbraw/zinc/33/05/62/793330562.db2.gz ZSINOPQEOSBUGM-UHFFFAOYSA-N 0 3 322.409 2.115 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1C[C@@H](F)C[C@H](CO)C1)CC2 ZINC001172908882 793525301 /nfs/dbraw/zinc/52/53/01/793525301.db2.gz PBYJIYGIJOFNBH-VBNZEHGJSA-N 0 3 322.380 2.495 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@@H](N1C[C@H](F)C[C@H]1CO)CC2 ZINC001172910415 793542754 /nfs/dbraw/zinc/54/27/54/793542754.db2.gz ZFHRLVGNXQORBX-YCPHGPKFSA-N 0 3 308.353 2.247 20 5 DEBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1C(=O)N(C)C ZINC001173233696 793646566 /nfs/dbraw/zinc/64/65/66/793646566.db2.gz MEBSOKZXNYXIEZ-WFASDCNBSA-N 0 3 305.378 2.078 20 5 DEBDHN Cc1ccc([C@@H](C)NC[C@H](O)C2(O)CCCC2)cc1[N+](=O)[O-] ZINC001333905721 1150124609 /nfs/dbraw/zinc/12/46/09/1150124609.db2.gz VNVUBVMPAHDGCU-DOMZBBRYSA-N 0 3 308.378 2.220 20 5 DEBDHN O=C(c1ccc2c(c1)CNCC2)N1CCc2c1cccc2[N+](=O)[O-] ZINC001118202112 795164270 /nfs/dbraw/zinc/16/42/70/795164270.db2.gz QSAPWDINOLKAOY-UHFFFAOYSA-N 0 3 323.352 2.443 20 5 DEBDHN NCc1cn(-c2cc3ccc(Cl)nc3cc2[N+](=O)[O-])cn1 ZINC001154910355 797637925 /nfs/dbraw/zinc/63/79/25/797637925.db2.gz HBCXBHBZDFGRGQ-UHFFFAOYSA-N 0 3 303.709 2.441 20 5 DEBDHN COc1cc(-n2c3ccccc3nc2[C@H](C)N)ncc1[N+](=O)[O-] ZINC001155253482 797718563 /nfs/dbraw/zinc/71/85/63/797718563.db2.gz APZPGVWFAOMPPN-VIFPVBQESA-N 0 3 313.317 2.357 20 5 DEBDHN O=C(/C=C/C1CC1)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001156165999 797937381 /nfs/dbraw/zinc/93/73/81/797937381.db2.gz QQXJVGYTUPRAAZ-SNAWJCMRSA-N 0 3 309.391 2.218 20 5 DEBDHN NCc1nn(-c2nccc(Cl)c2[N+](=O)[O-])c2ccccc12 ZINC001156855578 798095620 /nfs/dbraw/zinc/09/56/20/798095620.db2.gz DROOOTFYRQIQMA-UHFFFAOYSA-N 0 3 303.709 2.441 20 5 DEBDHN C[C@@H](N)c1ccn(-c2ccc(-c3ccccc3[N+](=O)[O-])nn2)n1 ZINC001158355470 798390492 /nfs/dbraw/zinc/39/04/92/798390492.db2.gz IWLJAFPMRHUPDB-SNVBAGLBSA-N 0 3 310.317 2.257 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(-n2c3ccccc3nc2[C@H](C)N)n1 ZINC001162760214 799167570 /nfs/dbraw/zinc/16/75/70/799167570.db2.gz MFIRLGCIGYEGEJ-VIFPVBQESA-N 0 3 313.317 2.357 20 5 DEBDHN C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603890045 1070137128 /nfs/dbraw/zinc/13/71/28/1070137128.db2.gz ADTCIFXTKSWPGY-BXKDBHETSA-N 0 3 302.338 2.053 20 5 DEBDHN C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603890045 1070137130 /nfs/dbraw/zinc/13/71/30/1070137130.db2.gz ADTCIFXTKSWPGY-BXKDBHETSA-N 0 3 302.338 2.053 20 5 DEBDHN CC[C@@H](C)C[N@H+](C)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001604004238 1070172455 /nfs/dbraw/zinc/17/24/55/1070172455.db2.gz OTRGQHYCSVSJQL-SNVBAGLBSA-N 0 3 304.354 2.253 20 5 DEBDHN CC[C@@H](C)C[N@@H+](C)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001604004238 1070172457 /nfs/dbraw/zinc/17/24/57/1070172457.db2.gz OTRGQHYCSVSJQL-SNVBAGLBSA-N 0 3 304.354 2.253 20 5 DEBDHN CC[C@@H](C)C[N@H+](C)Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001604004238 1070172460 /nfs/dbraw/zinc/17/24/60/1070172460.db2.gz OTRGQHYCSVSJQL-SNVBAGLBSA-N 0 3 304.354 2.253 20 5 DEBDHN CC[C@@H](C)C[N@@H+](C)Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001604004238 1070172466 /nfs/dbraw/zinc/17/24/66/1070172466.db2.gz OTRGQHYCSVSJQL-SNVBAGLBSA-N 0 3 304.354 2.253 20 5 DEBDHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1ccoc1 ZINC001567465018 1064210856 /nfs/dbraw/zinc/21/08/56/1064210856.db2.gz UGLBYSUUFCARPF-UHFFFAOYSA-N 0 3 303.318 2.050 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CCCCN1C ZINC001514830252 1068789656 /nfs/dbraw/zinc/78/96/56/1068789656.db2.gz RDBOZGLWJSTUSC-CYBMUJFWSA-N 0 3 305.378 2.426 20 5 DEBDHN C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590191053 1076580355 /nfs/dbraw/zinc/58/03/55/1076580355.db2.gz OQJRJDZAJUXCID-NXEZZACHSA-N 0 3 302.338 2.005 20 5 DEBDHN C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590191053 1076580357 /nfs/dbraw/zinc/58/03/57/1076580357.db2.gz OQJRJDZAJUXCID-NXEZZACHSA-N 0 3 302.338 2.005 20 5 DEBDHN C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590191053 1076580362 /nfs/dbraw/zinc/58/03/62/1076580362.db2.gz OQJRJDZAJUXCID-NXEZZACHSA-N 0 3 302.338 2.005 20 5 DEBDHN C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590191053 1076580367 /nfs/dbraw/zinc/58/03/67/1076580367.db2.gz OQJRJDZAJUXCID-NXEZZACHSA-N 0 3 302.338 2.005 20 5 DEBDHN COc1ccc(CNC(=O)C2(N(C)C)CCCC2)cc1[N+](=O)[O-] ZINC001596977888 1077086298 /nfs/dbraw/zinc/08/62/98/1077086298.db2.gz ZQNPZOTYKZRQGV-UHFFFAOYSA-N 0 3 321.377 2.094 20 5 DEBDHN O=C(Nc1cc([N+](=O)[O-])n[nH]1)C(C[C@@H]1CCCO1)C(F)(F)F ZINC001651837280 1079836496 /nfs/dbraw/zinc/83/64/96/1079836496.db2.gz VCJHFZXSBPPRTP-NKWVEPMBSA-N 0 3 322.243 2.004 20 5 DEBDHN CC(C)c1ccc(CN[C@@H](C)Cn2cncn2)cc1[N+](=O)[O-] ZINC001656972407 1080143111 /nfs/dbraw/zinc/14/31/11/1080143111.db2.gz SCEMXXUEOOAFMM-LBPRGKRZSA-N 0 3 303.366 2.488 20 5 DEBDHN COc1cc(C[NH2+]CC[C@H](O)C2CCCC2)c([N+](=O)[O-])cc1[O-] ZINC001658463458 1080208874 /nfs/dbraw/zinc/20/88/74/1080208874.db2.gz CIZBMCUQEWUWJO-AWEZNQCLSA-N 0 3 324.377 2.340 20 5 DEBDHN COc1cc(CNCC[C@H](O)C2CCCC2)c([N+](=O)[O-])cc1O ZINC001658463458 1080208882 /nfs/dbraw/zinc/20/88/82/1080208882.db2.gz CIZBMCUQEWUWJO-AWEZNQCLSA-N 0 3 324.377 2.340 20 5 DEBDHN CCN(CC)CC(=O)NC/C=C\CNc1ccccc1[N+](=O)[O-] ZINC001107204024 1080677338 /nfs/dbraw/zinc/67/73/38/1080677338.db2.gz HPDYKNNNTHLYQP-FPLPWBNLSA-N 0 3 320.393 2.021 20 5 DEBDHN O=C(NC/C=C/CNCc1ccc([N+](=O)[O-])cc1)c1ccoc1 ZINC001668701973 1081384140 /nfs/dbraw/zinc/38/41/40/1081384140.db2.gz GPDNUYGVDMLJRT-OWOJBTEDSA-N 0 3 315.329 2.264 20 5 DEBDHN CN(C)C1(C)CN(c2nc(Cl)c(Cl)cc2[N+](=O)[O-])C1 ZINC001165118606 1090031877 /nfs/dbraw/zinc/03/18/77/1090031877.db2.gz WFMDXVPQKJTNSR-UHFFFAOYSA-N 0 3 305.165 2.437 20 5 DEBDHN CN1CCCC[C@@H]1CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC001336222967 1142381457 /nfs/dbraw/zinc/38/14/57/1142381457.db2.gz FSKKHAJXEUCIOV-CYBMUJFWSA-N 0 3 319.405 2.473 20 5 DEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCc1cn(CCF)cn1 ZINC001254546409 1143244599 /nfs/dbraw/zinc/24/45/99/1143244599.db2.gz SMLFFQZWMLHWQX-GFCCVEGCSA-N 0 3 306.341 2.482 20 5 DEBDHN C[C@@H]1CN[C@@H](C)[C@H](C)N1C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001341031706 1143526741 /nfs/dbraw/zinc/52/67/41/1143526741.db2.gz WUQLOVJBKYGUKI-WOPDTQHZSA-N 0 3 323.368 2.264 20 5 DEBDHN CC(COC(=O)c1cccc(C(=O)N2CCCCC2)c1)[N+](=O)[O-] ZINC001263502550 1144378156 /nfs/dbraw/zinc/37/81/56/1144378156.db2.gz WFCDWTGMRJZCEZ-LBPRGKRZSA-N 0 3 320.345 2.135 20 5 DEBDHN Cn1nccc1N1CCC[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000278481913 214182505 /nfs/dbraw/zinc/18/25/05/214182505.db2.gz JOZSQUPENWJMOI-AWEZNQCLSA-N 0 3 315.377 2.087 20 5 DEBDHN CCOc1ccc([C@H](C)NC[C@]2(O)CCO[C@H]2C)cc1[N+](=O)[O-] ZINC000278698488 214336131 /nfs/dbraw/zinc/33/61/31/214336131.db2.gz HHMXXUMCYWEIJI-MQIPJXDCSA-N 0 3 324.377 2.184 20 5 DEBDHN C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCN1C ZINC000088055797 185238078 /nfs/dbraw/zinc/23/80/78/185238078.db2.gz RTIHVVBDNFMLDE-UWVGGRQHSA-N 0 3 311.769 2.461 20 5 DEBDHN CN(C[C@@H]1CCCN1C)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000092627018 185329607 /nfs/dbraw/zinc/32/96/07/185329607.db2.gz VMIKMYUIRZAMGR-NSHDSACASA-N 0 3 311.769 2.414 20 5 DEBDHN CC1(C)C[C@H](NCc2ccc(C(N)=O)cc2[N+](=O)[O-])C(C)(C)O1 ZINC000132411393 539502834 /nfs/dbraw/zinc/50/28/34/539502834.db2.gz VAJRCMMLHKGKBO-ZDUSSCGKSA-N 0 3 321.377 2.129 20 5 DEBDHN CCO[C@@H]1C[C@H](NCc2cccc([N+](=O)[O-])c2)[C@]12CCCO2 ZINC000272678471 210082603 /nfs/dbraw/zinc/08/26/03/210082603.db2.gz MKUSEGSJDLKGGD-ARFHVFGLSA-N 0 3 306.362 2.411 20 5 DEBDHN CCOc1ccc([C@H](C)NC[C@H](COC)OC)cc1[N+](=O)[O-] ZINC000272653560 210060191 /nfs/dbraw/zinc/06/01/91/210060191.db2.gz GCPIFFLEVFSMLJ-WCQYABFASA-N 0 3 312.366 2.306 20 5 DEBDHN O=[N+]([O-])c1cnn(CCN2CC[C@@H](COc3ccccc3)C2)c1 ZINC000272482031 209889463 /nfs/dbraw/zinc/88/94/63/209889463.db2.gz BCSMFAZOWBQBBR-CQSZACIVSA-N 0 3 316.361 2.192 20 5 DEBDHN CCN(CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1 ZINC000159700229 186136094 /nfs/dbraw/zinc/13/60/94/186136094.db2.gz YLRKZICGTNGPTA-UHFFFAOYSA-N 0 3 301.346 2.279 20 5 DEBDHN CSc1ccc(C(=O)N2CCN[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000262861457 186315030 /nfs/dbraw/zinc/31/50/30/186315030.db2.gz UERQDTKAGJIYDM-UWVGGRQHSA-N 0 3 309.391 2.139 20 5 DEBDHN C[C@H]1CN(CCN(C)CCc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000595482458 358461413 /nfs/dbraw/zinc/46/14/13/358461413.db2.gz BVIZPHOYUBRMGT-GJZGRUSLSA-N 0 3 321.421 2.178 20 5 DEBDHN CN(Cc1ccccc1)C[C@@H](O)COc1ccc([N+](=O)[O-])cc1 ZINC000006734294 353997689 /nfs/dbraw/zinc/99/76/89/353997689.db2.gz QDDGABNVWBAISS-MRXNPFEDSA-N 0 3 316.357 2.467 20 5 DEBDHN C[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])N1CCCC1 ZINC000052641277 354409820 /nfs/dbraw/zinc/40/98/20/354409820.db2.gz SWLHDQRGMJJJCL-SNVBAGLBSA-N 0 3 311.769 2.462 20 5 DEBDHN C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)N1CCC[C@H](C)C1 ZINC000060555998 354617937 /nfs/dbraw/zinc/61/79/37/354617937.db2.gz LTFPUBGGHDNTLP-QWHCGFSZSA-N 0 3 305.378 2.445 20 5 DEBDHN CCN1CCC(NC(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000060793306 354620490 /nfs/dbraw/zinc/62/04/90/354620490.db2.gz SPQAIDRBKHFJTI-UHFFFAOYSA-N 0 3 323.418 2.287 20 5 DEBDHN CC(=O)c1cc([N+](=O)[O-])ccc1NCC1(N(C)C)CCOCC1 ZINC000287458958 219537304 /nfs/dbraw/zinc/53/73/04/219537304.db2.gz WBNADYVBNMTLLR-UHFFFAOYSA-N 0 3 321.377 2.320 20 5 DEBDHN CCCCN1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])c(N)n1 ZINC000076269572 355138160 /nfs/dbraw/zinc/13/81/60/355138160.db2.gz NIXRRSYHBQPLEU-LLVKDONJSA-N 0 3 308.386 2.034 20 5 DEBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000589877337 357502875 /nfs/dbraw/zinc/50/28/75/357502875.db2.gz XHFLEDZHPIIAKJ-GFCCVEGCSA-N 0 3 321.425 2.430 20 5 DEBDHN O=[N+]([O-])c1cc2c(cc1CN[C@H]1CC[C@@H](CO)CC1)OCCO2 ZINC000590646787 357572976 /nfs/dbraw/zinc/57/29/76/357572976.db2.gz NRDRKNQNBPPJKD-BJHJDKERSA-N 0 3 322.361 2.007 20 5 DEBDHN CC(C)c1ccc(CNC[C@@H]2CCCNC2=O)cc1[N+](=O)[O-] ZINC000590971773 357656450 /nfs/dbraw/zinc/65/64/50/357656450.db2.gz LCMVBTAOENWVAQ-ZDUSSCGKSA-N 0 3 305.378 2.334 20 5 DEBDHN O=C1NCCC[C@H]1CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000591245195 357694144 /nfs/dbraw/zinc/69/41/44/357694144.db2.gz QREAYGHGUBKHJM-WFASDCNBSA-N 0 3 303.362 2.088 20 5 DEBDHN C[C@H](CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000591761138 357757496 /nfs/dbraw/zinc/75/74/96/357757496.db2.gz XZVXBEPFYZCQJG-MWLCHTKSSA-N 0 3 322.283 2.123 20 5 DEBDHN CC[C@@H]1CN(C)CCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000591849953 357768858 /nfs/dbraw/zinc/76/88/58/357768858.db2.gz BAIJZLRHLSDJOW-CQSZACIVSA-N 0 3 307.394 2.390 20 5 DEBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@H]1CNc2ccnn2C1 ZINC000592511975 357890877 /nfs/dbraw/zinc/89/08/77/357890877.db2.gz VNCKVMIUMNMCFV-CYBMUJFWSA-N 0 3 315.377 2.008 20 5 DEBDHN CSc1ccc(C(=O)N2C[C@H](C)NC[C@H]2C)cc1[N+](=O)[O-] ZINC000237308850 202226794 /nfs/dbraw/zinc/22/67/94/202226794.db2.gz NUDWVZOFWYLHCZ-VHSXEESVSA-N 0 3 309.391 2.139 20 5 DEBDHN O=C(N[C@H]1CCCN2CCCC[C@H]12)c1ccccc1[N+](=O)[O-] ZINC000594198158 358221899 /nfs/dbraw/zinc/22/18/99/358221899.db2.gz DPWQHYKEWCGLIN-DZGCQCFKSA-N 0 3 303.362 2.342 20 5 DEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2C[C@@H]3CCCC[C@@H]32)c1 ZINC000594713308 358323247 /nfs/dbraw/zinc/32/32/47/358323247.db2.gz CLUNKQLKNQWIIM-NOLJZWGESA-N 0 3 306.362 2.209 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H]1CCOC[C@@H]1OC ZINC000595040214 358382224 /nfs/dbraw/zinc/38/22/24/358382224.db2.gz DTUICZOGPZXDPR-MKBNYLNASA-N 0 3 324.377 2.306 20 5 DEBDHN CNC(=O)[C@@H]1CCC[C@@H]1N[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595036380 358381349 /nfs/dbraw/zinc/38/13/49/358381349.db2.gz RVIIVUFDOXNBFJ-HONMWMINSA-N 0 3 321.377 2.169 20 5 DEBDHN CCO[C@@H]1COCC[C@@H]1N[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595033722 358381372 /nfs/dbraw/zinc/38/13/72/358381372.db2.gz SOFCYEWLJMLDKA-HZUKXOBISA-N 0 3 324.377 2.448 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC(C)(C)OCCO ZINC000595049886 358382813 /nfs/dbraw/zinc/38/28/13/358382813.db2.gz KEQSEVRXDASMLB-NSHDSACASA-N 0 3 312.366 2.042 20 5 DEBDHN C[C@@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)[C@H]1CCO ZINC000595704829 358529526 /nfs/dbraw/zinc/52/95/26/358529526.db2.gz WFMYHOPZYWUUTP-CJNGLKHVSA-N 0 3 308.378 2.457 20 5 DEBDHN CCn1nccc1CN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000596094815 358609663 /nfs/dbraw/zinc/60/96/63/358609663.db2.gz MLJPDMXNCMIYIO-KBPBESRZSA-N 0 3 318.381 2.281 20 5 DEBDHN O=c1[n-]ccc(N2CCC[N@@H+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000596134101 358618649 /nfs/dbraw/zinc/61/86/49/358618649.db2.gz LMMUEKUJODOICY-UHFFFAOYSA-N 0 3 306.366 2.150 20 5 DEBDHN O=c1[n-]ccc(N2CCC[N@H+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000596134101 358618653 /nfs/dbraw/zinc/61/86/53/358618653.db2.gz LMMUEKUJODOICY-UHFFFAOYSA-N 0 3 306.366 2.150 20 5 DEBDHN CS[C@@H]1CN(c2cc(C)sc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000596179374 358631710 /nfs/dbraw/zinc/63/17/10/358631710.db2.gz PHBQTGQVNCBPLQ-GHMZBOCLSA-N 0 3 301.437 2.447 20 5 DEBDHN COc1ccc(C(=O)N[C@H]2CCN(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000597922532 359041772 /nfs/dbraw/zinc/04/17/72/359041772.db2.gz FQVQRYIYMBWWNF-LBPRGKRZSA-N 0 3 321.377 2.206 20 5 DEBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000598260315 359139129 /nfs/dbraw/zinc/13/91/29/359139129.db2.gz AKWYECAWQRFHND-AWEZNQCLSA-N 0 3 319.405 2.374 20 5 DEBDHN COC(=O)c1ccnc(N[C@@H]2CCN(C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000598633230 359268495 /nfs/dbraw/zinc/26/84/95/359268495.db2.gz IRIPBOJPHQJQBR-SNVBAGLBSA-N 0 3 322.365 2.061 20 5 DEBDHN O=[N+]([O-])c1ccc(NCCN2CC[C@H](O)C2)cc1C(F)(F)F ZINC000599203514 359433292 /nfs/dbraw/zinc/43/32/92/359433292.db2.gz VYNQEOJLVBETJY-JTQLQIEISA-N 0 3 319.283 2.092 20 5 DEBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN(CCO)CCO)s1 ZINC000600178751 359677410 /nfs/dbraw/zinc/67/74/10/359677410.db2.gz FVIIJTJBORGABP-UHFFFAOYSA-N 0 3 322.386 2.110 20 5 DEBDHN O=[N+]([O-])c1ccc2nccc(NCCN3CCSCC3)c2c1 ZINC000601115925 359927854 /nfs/dbraw/zinc/92/78/54/359927854.db2.gz FCQLIINMVQFAAJ-UHFFFAOYSA-N 0 3 318.402 2.026 20 5 DEBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@H]2C[C@@H](CO)C2)c1 ZINC000601140558 359938443 /nfs/dbraw/zinc/93/84/43/359938443.db2.gz YNXZYNYKXVJUOH-WAAGHKOSSA-N 0 3 302.277 2.057 20 5 DEBDHN CC[C@](C)(CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)OC ZINC000602476210 360394880 /nfs/dbraw/zinc/39/48/80/360394880.db2.gz WNFCLGIQNJAPHA-IUODEOHRSA-N 0 3 308.382 2.291 20 5 DEBDHN CCCO[C@H]1CCCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602774823 360547437 /nfs/dbraw/zinc/54/74/37/360547437.db2.gz BVZOSJKDEDJNSV-AWEZNQCLSA-N 0 3 310.398 2.381 20 5 DEBDHN CO[C@]1(C)C[C@H](N(C)CCn2c(C)ncc2[N+](=O)[O-])C1(C)C ZINC000602783323 360550693 /nfs/dbraw/zinc/55/06/93/360550693.db2.gz KWIJFXZKLLUPBY-SWLSCSKDSA-N 0 3 310.398 2.235 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](Oc2ccccc2)C1 ZINC000602850992 360589891 /nfs/dbraw/zinc/58/98/91/360589891.db2.gz JONQBOKGKVTIFE-HNNXBMFYSA-N 0 3 316.361 2.253 20 5 DEBDHN CC[C@H](CN1CCCC1)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000609851105 361344629 /nfs/dbraw/zinc/34/46/29/361344629.db2.gz AUWCUPSUYRXYAS-LLVKDONJSA-N 0 3 309.341 2.338 20 5 DEBDHN CN(Cc1ccccc1)[C@H]1CCN(c2c([N+](=O)[O-])ncn2C)C1 ZINC000610281995 361379932 /nfs/dbraw/zinc/37/99/32/361379932.db2.gz ULIYQRGWSCVLDN-AWEZNQCLSA-N 0 3 315.377 2.039 20 5 DEBDHN CC(C)OCCN1CCC(Nc2cccnc2[N+](=O)[O-])CC1 ZINC000610479314 361405157 /nfs/dbraw/zinc/40/51/57/361405157.db2.gz PVXJOAFAEMTYHR-UHFFFAOYSA-N 0 3 308.382 2.291 20 5 DEBDHN C[C@H]1CN(c2ccc([N+](=O)[O-])s2)CC[C@H]1N1CCN(C)CC1 ZINC000611204564 361547783 /nfs/dbraw/zinc/54/77/83/361547783.db2.gz VZRZBOSLSWBSAX-QWHCGFSZSA-N 0 3 324.450 2.119 20 5 DEBDHN CC(C)N1CCN([C@@H]2CCN(c3sccc3[N+](=O)[O-])C2)CC1 ZINC000611413686 361595762 /nfs/dbraw/zinc/59/57/62/361595762.db2.gz MJFPSUINPFJFFP-CYBMUJFWSA-N 0 3 324.450 2.261 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@@H](O)COCC1CC1)CCC2 ZINC000447535090 239005162 /nfs/dbraw/zinc/00/51/62/239005162.db2.gz CPQPQOUDZSBILN-NVXWUHKLSA-N 0 3 320.389 2.349 20 5 DEBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000275485763 212365134 /nfs/dbraw/zinc/36/51/34/212365134.db2.gz FHUSFJZDBOAEII-KGLIPLIRSA-N 0 3 321.421 2.433 20 5 DEBDHN CO[C@@H]1C[C@H](NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1(C)C ZINC000451496064 243026066 /nfs/dbraw/zinc/02/60/66/243026066.db2.gz LRIMKCFKEWJVGG-UONOGXRCSA-N 0 3 321.377 2.245 20 5 DEBDHN CO[C@@H]1C[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1(C)C ZINC000451502725 243040169 /nfs/dbraw/zinc/04/01/69/243040169.db2.gz PMSCLKJOJBKRNT-UONOGXRCSA-N 0 3 321.377 2.245 20 5 DEBDHN CCN1CCCC[C@H]1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000266083621 205085045 /nfs/dbraw/zinc/08/50/45/205085045.db2.gz DSUVZMPCQIKQFQ-HNNXBMFYSA-N 0 3 305.378 2.128 20 5 DEBDHN C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000266454295 205359704 /nfs/dbraw/zinc/35/97/04/205359704.db2.gz PAQFFWSBDSTUDC-IINYFYTJSA-N 0 3 324.768 2.156 20 5 DEBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2CCC3(CCOCC3)[C@@H]2O)cc1 ZINC000282955482 217348954 /nfs/dbraw/zinc/34/89/54/217348954.db2.gz YBVPQVAPJOYSQZ-GOEBONIOSA-N 0 3 320.389 2.252 20 5 DEBDHN CCOC(=O)[C@@H](C)[C@H](C)NCCOc1ccccc1[N+](=O)[O-] ZINC000273993401 211251795 /nfs/dbraw/zinc/25/17/95/211251795.db2.gz JXJJXKZSFKPPPA-RYUDHWBXSA-N 0 3 310.350 2.151 20 5 DEBDHN O=[N+]([O-])c1ccc(CCN2CCC(C3OCCO3)CC2)cc1 ZINC000110454636 194331206 /nfs/dbraw/zinc/33/12/06/194331206.db2.gz RZLMJCVSEQABQP-UHFFFAOYSA-N 0 3 306.362 2.222 20 5 DEBDHN CCOC(=O)[C@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000059372821 184137756 /nfs/dbraw/zinc/13/77/56/184137756.db2.gz BIEUVQJJPUXQNS-AWEZNQCLSA-N 0 3 306.362 2.412 20 5 DEBDHN COc1ccc(OCCSCCN(C)C)c([N+](=O)[O-])c1 ZINC000157708621 197209935 /nfs/dbraw/zinc/20/99/35/197209935.db2.gz JYUIWSGVUGVPGN-UHFFFAOYSA-N 0 3 300.380 2.277 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000444935435 533142444 /nfs/dbraw/zinc/14/24/44/533142444.db2.gz FCVXRSYBYKZUQE-PWSUYJOCSA-N 0 3 322.365 2.208 20 5 DEBDHN C[C@H](C(=O)NCCN1CC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000542659193 285241402 /nfs/dbraw/zinc/24/14/02/285241402.db2.gz MJAGSRVQPLKCCB-NEPJUHHUSA-N 0 3 323.368 2.295 20 5 DEBDHN CC(C)(CO)[C@H](NCCn1cc([N+](=O)[O-])cn1)c1cccs1 ZINC000289803428 221237294 /nfs/dbraw/zinc/23/72/94/221237294.db2.gz NTSMEWVWDISODE-CYBMUJFWSA-N 0 3 324.406 2.202 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(C)CC[C@H]1C ZINC000340254312 131281151 /nfs/dbraw/zinc/28/11/51/131281151.db2.gz PLGCEOTYPMHJID-GFCCVEGCSA-N 0 3 306.366 2.461 20 5 DEBDHN O=[N+]([O-])c1cc(Cl)ccc1CN[C@@H](CO)C1CCOCC1 ZINC000359876890 133150576 /nfs/dbraw/zinc/15/05/76/133150576.db2.gz PNZQHMVCTLFEGU-ZDUSSCGKSA-N 0 3 314.769 2.125 20 5 DEBDHN COCc1cc([N+](=O)[O-])ccc1NC[C@H]1CN2CCC[C@H]2CO1 ZINC000373675405 133399699 /nfs/dbraw/zinc/39/96/99/133399699.db2.gz SCBWHUZSTZXPNC-GJZGRUSLSA-N 0 3 321.377 2.016 20 5 DEBDHN C[C@H](C(=O)NC[C@H]1CCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000564765935 292109278 /nfs/dbraw/zinc/10/92/78/292109278.db2.gz ORDKOKPQVKEQDN-QWHCGFSZSA-N 0 3 305.378 2.156 20 5 DEBDHN CC1(C)CN(CCNC/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000255086547 145203824 /nfs/dbraw/zinc/20/38/24/145203824.db2.gz GSQSMLPXKSCLKP-ALCCZGGFSA-N 0 3 319.405 2.308 20 5 DEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CC[C@@H]2C2CC2)cc1 ZINC000348429196 146270947 /nfs/dbraw/zinc/27/09/47/146270947.db2.gz XYKBYIXSWYUQFE-HUUCEWRRSA-N 0 3 324.402 2.147 20 5 DEBDHN CN(C)CCO[C@@H]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000349218296 146359398 /nfs/dbraw/zinc/35/93/98/146359398.db2.gz TZJJNWHVZRNPTB-GFCCVEGCSA-N 0 3 313.785 2.405 20 5 DEBDHN C[C@@H]1CC[C@@H](C)N1CC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000359127579 147266784 /nfs/dbraw/zinc/26/67/84/147266784.db2.gz FAZHMMIBMBFPEZ-ZIAGYGMSSA-N 0 3 319.405 2.469 20 5 DEBDHN Cc1ccc(CN[C@H]2CCN(c3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000361012438 147428948 /nfs/dbraw/zinc/42/89/48/147428948.db2.gz NXNMBQHCFCCMTD-AWEZNQCLSA-N 0 3 315.377 2.005 20 5 DEBDHN O=[N+]([O-])c1ccccc1OCCN1CC[C@@H]([C@H]2CCOC2)C1 ZINC000374407845 148243582 /nfs/dbraw/zinc/24/35/82/148243582.db2.gz XLXTXXPUGKVCHD-KGLIPLIRSA-N 0 3 306.362 2.332 20 5 DEBDHN Cc1c(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cccc1[N+](=O)[O-] ZINC000073990372 401726979 /nfs/dbraw/zinc/72/69/79/401726979.db2.gz TWZUJERLYMYRJG-OLZOCXBDSA-N 0 3 303.362 2.212 20 5 DEBDHN CC(C)(C)OCCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072664908 401711831 /nfs/dbraw/zinc/71/18/31/401711831.db2.gz SADWUTFCHBHMGT-LBPRGKRZSA-N 0 3 308.382 2.291 20 5 DEBDHN COCCN(C)CCCNc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000075676819 401766383 /nfs/dbraw/zinc/76/63/83/401766383.db2.gz YVSRRIFGNFHLGX-UHFFFAOYSA-N 0 3 309.366 2.178 20 5 DEBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@H](C3OCCO3)C2)cc1 ZINC000076293563 401788959 /nfs/dbraw/zinc/78/89/59/401788959.db2.gz MNOVDRPMNORLQX-ZDUSSCGKSA-N 0 3 322.361 2.059 20 5 DEBDHN Cc1c(CN2CCC[C@@H](Cn3ccnn3)C2)cccc1[N+](=O)[O-] ZINC000119524426 401956589 /nfs/dbraw/zinc/95/65/89/401956589.db2.gz SCEACSOZKXPHIL-CQSZACIVSA-N 0 3 315.377 2.407 20 5 DEBDHN COCCOC[C@H]1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000093754597 402019687 /nfs/dbraw/zinc/01/96/87/402019687.db2.gz AIHMSYBUPPXZQS-HNNXBMFYSA-N 0 3 308.378 2.388 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)NCCN1CCCCC1 ZINC000123126178 402112082 /nfs/dbraw/zinc/11/20/82/402112082.db2.gz ZOJZASBBASWHAM-UHFFFAOYSA-N 0 3 322.365 2.211 20 5 DEBDHN CN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)[C@H]1CCCN(C)C1 ZINC000153904759 402179027 /nfs/dbraw/zinc/17/90/27/402179027.db2.gz FDTOSXIFXDAYCC-HVHJFMEUSA-N 0 3 303.362 2.161 20 5 DEBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@H]3OCCC[C@@H]3C2)c1 ZINC000154473670 402214790 /nfs/dbraw/zinc/21/47/90/402214790.db2.gz HCVZKELCHKZCFN-FVQBIDKESA-N 0 3 306.362 2.129 20 5 DEBDHN C[C@H](C(=O)N1CCC[C@@H](N(C)C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185171562 402330569 /nfs/dbraw/zinc/33/05/69/402330569.db2.gz BAPIUQCCNGFAQV-WCQYABFASA-N 0 3 323.368 2.390 20 5 DEBDHN Cc1ccc([C@@H](C)NC(=O)N(C)CCN(C)C)cc1[N+](=O)[O-] ZINC000176744757 402333271 /nfs/dbraw/zinc/33/32/71/402333271.db2.gz MWDQBOWEOPJJPP-GFCCVEGCSA-N 0 3 308.382 2.167 20 5 DEBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000247223428 402560606 /nfs/dbraw/zinc/56/06/06/402560606.db2.gz CSURDDIFFYMOMD-OKZVOGLASA-N 0 3 317.389 2.407 20 5 DEBDHN Cc1cc(C(=O)N(C)[C@H]2CCN(C)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000247517702 402570512 /nfs/dbraw/zinc/57/05/12/402570512.db2.gz WFJRUMYGRMNPIV-DOMZBBRYSA-N 0 3 305.378 2.315 20 5 DEBDHN CC[C@@H](CNc1ncc(C(=O)OC)cc1[N+](=O)[O-])N1CCCC1 ZINC000190167593 402580548 /nfs/dbraw/zinc/58/05/48/402580548.db2.gz NYVSQAJTUOYRLT-LBPRGKRZSA-N 0 3 322.365 2.063 20 5 DEBDHN C[C@@H](C(=O)N1CCN2CCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1F ZINC000248567301 402596153 /nfs/dbraw/zinc/59/61/53/402596153.db2.gz LEJKYQQABRTFQJ-YPMHNXCESA-N 0 3 321.352 2.144 20 5 DEBDHN CC(C)[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)N(C)C ZINC000345002206 404492697 /nfs/dbraw/zinc/49/26/97/404492697.db2.gz MVVLAKPUQHXZLQ-ZDUSSCGKSA-N 0 3 313.785 2.451 20 5 DEBDHN CCN1CCC[C@H]1CNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000191279199 402657320 /nfs/dbraw/zinc/65/73/20/402657320.db2.gz IGJCGEMABDGQJA-ZDUSSCGKSA-N 0 3 321.377 2.126 20 5 DEBDHN CCNC(=O)C1(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])CCC1 ZINC000566476406 292245707 /nfs/dbraw/zinc/24/57/07/292245707.db2.gz XKPMLVNCPVMJQG-CQSZACIVSA-N 0 3 317.389 2.478 20 5 DEBDHN CN(CC1CCN(C)CC1)C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000255347273 402684844 /nfs/dbraw/zinc/68/48/44/402684844.db2.gz ZQRVVXOHXIHWQA-FPLPWBNLSA-N 0 3 317.389 2.408 20 5 DEBDHN CCc1ccc(C(=O)N2CCC[C@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000174173001 402729838 /nfs/dbraw/zinc/72/98/38/402729838.db2.gz UGFNEMZIULQHLD-AWEZNQCLSA-N 0 3 305.378 2.323 20 5 DEBDHN CN(C[C@H]1CCCN(C)C1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000265260187 402905494 /nfs/dbraw/zinc/90/54/94/402905494.db2.gz YGJYWUOLCDEDEQ-NSHDSACASA-N 0 3 308.338 2.281 20 5 DEBDHN CN1CC[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)[C@H]2C1 ZINC000272568212 402953829 /nfs/dbraw/zinc/95/38/29/402953829.db2.gz FPPZONMQDYNSBL-HZMBPMFUSA-N 0 3 323.780 2.414 20 5 DEBDHN COC(=O)C1=C(C)O[C@@H](CN[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000272579704 402956013 /nfs/dbraw/zinc/95/60/13/402956013.db2.gz ROCVTQNYEFALGB-QMTHXVAHSA-N 0 3 320.345 2.481 20 5 DEBDHN CC[C@H](C)CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273526826 403012260 /nfs/dbraw/zinc/01/22/60/403012260.db2.gz ZZTPJBRGMNJKFR-NSHDSACASA-N 0 3 300.380 2.004 20 5 DEBDHN C[C@@]1(NCC(=O)Nc2ccccc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000273115733 402973044 /nfs/dbraw/zinc/97/30/44/402973044.db2.gz YMOCHFXFJLYUII-JKSUJKDBSA-N 0 3 319.361 2.081 20 5 DEBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000268152079 403054866 /nfs/dbraw/zinc/05/48/66/403054866.db2.gz XAFIYPJLCMZACD-YGRLFVJLSA-N 0 3 304.350 2.199 20 5 DEBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000268232104 403064362 /nfs/dbraw/zinc/06/43/62/403064362.db2.gz SMDZMNRJGWOVMG-RNCFNFMXSA-N 0 3 323.780 2.461 20 5 DEBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000268232103 403064440 /nfs/dbraw/zinc/06/44/40/403064440.db2.gz SMDZMNRJGWOVMG-NOZJJQNGSA-N 0 3 323.780 2.461 20 5 DEBDHN CS[C@@H]1CN(c2nccc(C)c2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000274652106 403075171 /nfs/dbraw/zinc/07/51/71/403075171.db2.gz HKZUKTAQWXXFJM-CHWSQXEVSA-N 0 3 322.434 2.314 20 5 DEBDHN CS[C@H]1CN(c2ncc([N+](=O)[O-])s2)C[C@H]1N1CCCC1 ZINC000281806962 403093934 /nfs/dbraw/zinc/09/39/34/403093934.db2.gz GOWRFDSRWMAVHF-ZJUUUORDSA-N 0 3 314.436 2.067 20 5 DEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCC23CCC3)cc1 ZINC000282861046 403162577 /nfs/dbraw/zinc/16/25/77/403162577.db2.gz UQQHMRYZSJQKPY-CQSZACIVSA-N 0 3 324.402 2.291 20 5 DEBDHN O=[N+]([O-])c1cccc([C@@H](O)CN(CCO)Cc2ccccc2)c1 ZINC000269625717 403151488 /nfs/dbraw/zinc/15/14/88/403151488.db2.gz CNWQWLIHCFEGEW-KRWDZBQOSA-N 0 3 316.357 2.123 20 5 DEBDHN C[C@@H]1[C@H](C)NCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000277484154 403222288 /nfs/dbraw/zinc/22/22/88/403222288.db2.gz MRDMYAZTACMXQC-VHSXEESVSA-N 0 3 303.318 2.163 20 5 DEBDHN Cc1cc([N+](=O)[O-])cc(C(=O)NC2(CN(C)C)CCC2)c1F ZINC000284965230 403274975 /nfs/dbraw/zinc/27/49/75/403274975.db2.gz PIBDDPCNFYMZQE-UHFFFAOYSA-N 0 3 309.341 2.256 20 5 DEBDHN CC(C)NC(=O)c1ccc(NC[C@@H](C)N(C)C)c([N+](=O)[O-])c1 ZINC000298315772 403356159 /nfs/dbraw/zinc/35/61/59/403356159.db2.gz QGIFEUJYJYVKGP-LLVKDONJSA-N 0 3 308.382 2.095 20 5 DEBDHN C[C@H](O)[C@@H]1C[C@H](C)CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000331292415 403371651 /nfs/dbraw/zinc/37/16/51/403371651.db2.gz QADCTTAZPOCHDJ-IPYPFGDCSA-N 0 3 308.378 2.455 20 5 DEBDHN C[C@@H]1CCN(C)CCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342919468 403396396 /nfs/dbraw/zinc/39/63/96/403396396.db2.gz HNKFFUXYJMCBJA-LLVKDONJSA-N 0 3 316.361 2.242 20 5 DEBDHN CN(CCN1CCCC1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342921226 403397262 /nfs/dbraw/zinc/39/72/62/403397262.db2.gz NWNBEAJHQLQHNV-UHFFFAOYSA-N 0 3 316.361 2.244 20 5 DEBDHN CCCN(CCN1CCCC1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000285973128 403422770 /nfs/dbraw/zinc/42/27/70/403422770.db2.gz NPGANALICMTUSA-QGZVFWFLSA-N 0 3 321.421 2.436 20 5 DEBDHN Cc1n[nH]cc1CN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000331635470 403436943 /nfs/dbraw/zinc/43/69/43/403436943.db2.gz OTJZXIXHQXYPTO-CHWSQXEVSA-N 0 3 304.354 2.096 20 5 DEBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](N)CC(F)F ZINC000345752911 403469974 /nfs/dbraw/zinc/46/99/74/403469974.db2.gz UIBHNKXOBLRFLS-LBPRGKRZSA-N 0 3 315.320 2.314 20 5 DEBDHN CCOc1ccc([C@H](C)NC[C@H]2CC[C@@H](CO)O2)cc1[N+](=O)[O-] ZINC000293663550 403531587 /nfs/dbraw/zinc/53/15/87/403531587.db2.gz IWCPTBJCCHPMJH-YUTCNCBUSA-N 0 3 324.377 2.184 20 5 DEBDHN COc1ccc(CNCCc2ncc(C)cn2)cc1[N+](=O)[O-] ZINC000340105412 403550133 /nfs/dbraw/zinc/55/01/33/403550133.db2.gz MEXACAHSVBFOKY-UHFFFAOYSA-N 0 3 302.334 2.034 20 5 DEBDHN CCN1CCN(C[C@H](C)CNc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000286359456 403507695 /nfs/dbraw/zinc/50/76/95/403507695.db2.gz LLROOLOGZBACQG-CYBMUJFWSA-N 0 3 324.400 2.419 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@]3(CCN(C)C3)C2)c1 ZINC000293915385 403598038 /nfs/dbraw/zinc/59/80/38/403598038.db2.gz OWNQIOSTRQJIIL-INIZCTEOSA-N 0 3 303.362 2.071 20 5 DEBDHN CCC[C@H](C)C(=O)NCCN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293768163 403559380 /nfs/dbraw/zinc/55/93/80/403559380.db2.gz RXNLJRSGTKIURF-NWDGAFQWSA-N 0 3 322.409 2.380 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CCO[C@H]1c1nccn1C ZINC000343382943 403562496 /nfs/dbraw/zinc/56/24/96/403562496.db2.gz GLHXNOBNSVEPDN-LSDHHAIUSA-N 0 3 316.361 2.257 20 5 DEBDHN C[C@@H](NCCNC(=O)OC(C)(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293849996 403580733 /nfs/dbraw/zinc/58/07/33/403580733.db2.gz UCXBAHBKHKXQLC-SNVBAGLBSA-N 0 3 324.381 2.352 20 5 DEBDHN CC1(C)C[C@H](NC[C@@H]2CC[C@H](CO)O2)c2cc([N+](=O)[O-])ccc21 ZINC000340409507 403606840 /nfs/dbraw/zinc/60/68/40/403606840.db2.gz BVTQHAVQDDADBY-ZENOOKHLSA-N 0 3 320.389 2.447 20 5 DEBDHN CCCN1CCC[C@H]1CNC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000343566843 403640891 /nfs/dbraw/zinc/64/08/91/403640891.db2.gz KYHYGONRQJQWHH-LBPRGKRZSA-N 0 3 321.377 2.208 20 5 DEBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000295048105 403742412 /nfs/dbraw/zinc/74/24/12/403742412.db2.gz XUNHHRRDXINJHT-NSHDSACASA-N 0 3 320.349 2.424 20 5 DEBDHN CCC[C@]1(CO)CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000288912094 403792209 /nfs/dbraw/zinc/79/22/09/403792209.db2.gz UFOSPRLKUADWOF-HOTGVXAUSA-N 0 3 308.378 2.113 20 5 DEBDHN CCC[C@]1(CO)CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000288933438 403795743 /nfs/dbraw/zinc/79/57/43/403795743.db2.gz WBXORVQKQYRQSH-INIZCTEOSA-N 0 3 308.378 2.458 20 5 DEBDHN Cc1c(NC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000361748520 403840223 /nfs/dbraw/zinc/84/02/23/403840223.db2.gz BNWFXUKOTHAJEZ-WFASDCNBSA-N 0 3 318.377 2.461 20 5 DEBDHN C[C@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000295341373 403867590 /nfs/dbraw/zinc/86/75/90/403867590.db2.gz MOKZVPVUHBQGRQ-CYBMUJFWSA-N 0 3 317.389 2.080 20 5 DEBDHN Cc1ncc2c(n1)CC[C@@H](NCc1csc([N+](=O)[O-])c1)C2 ZINC000368825027 403872288 /nfs/dbraw/zinc/87/22/88/403872288.db2.gz VFYNNDGTLTUEOC-GFCCVEGCSA-N 0 3 304.375 2.402 20 5 DEBDHN Cc1ccc(C(=O)N2CCN(C3CC3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000295373667 403890130 /nfs/dbraw/zinc/89/01/30/403890130.db2.gz OYDPPVMIIROSGM-LBPRGKRZSA-N 0 3 317.389 2.460 20 5 DEBDHN O=[N+]([O-])c1cnn(CCNCc2cc3ccc(F)cc3[nH]2)c1 ZINC000362911728 404000425 /nfs/dbraw/zinc/00/04/25/404000425.db2.gz DAMWAZUYSCCXAQ-UHFFFAOYSA-N 0 3 303.297 2.202 20 5 DEBDHN COc1cc(CNC[C@@]2(C)CCOC2)c([N+](=O)[O-])cc1OC ZINC000344389088 404102097 /nfs/dbraw/zinc/10/20/97/404102097.db2.gz IIFCQGWEVOVCIB-OAHLLOKOSA-N 0 3 310.350 2.128 20 5 DEBDHN C[C@@H](NCCCCS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000341579791 404047934 /nfs/dbraw/zinc/04/79/34/404047934.db2.gz AHUJXPCWYVTQBX-LLVKDONJSA-N 0 3 300.380 2.070 20 5 DEBDHN Cc1ccsc1CN(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000337678156 404176431 /nfs/dbraw/zinc/17/64/31/404176431.db2.gz TVHFFDGEKHVQJS-UHFFFAOYSA-N 0 3 307.375 2.258 20 5 DEBDHN CN(C[C@H](O)COc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000290518598 404202133 /nfs/dbraw/zinc/20/21/33/404202133.db2.gz CFFDRRMLGLHPMO-NSHDSACASA-N 0 3 300.742 2.082 20 5 DEBDHN C[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCCOC1 ZINC000355178945 404261735 /nfs/dbraw/zinc/26/17/35/404261735.db2.gz PWMOLXVQEZUHSY-MNOVXSKESA-N 0 3 304.350 2.376 20 5 DEBDHN Cc1nc(N[C@@H]2CCN(Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000296494911 404274576 /nfs/dbraw/zinc/27/45/76/404274576.db2.gz LGYJRQAXGHPUDG-CQSZACIVSA-N 0 3 313.361 2.380 20 5 DEBDHN C[C@H](C(=O)NC1(CN(C)C)CCC1)c1ccc([N+](=O)[O-])cc1F ZINC000341954798 404277067 /nfs/dbraw/zinc/27/70/67/404277067.db2.gz XTLSQXLJXOVVQU-NSHDSACASA-N 0 3 323.368 2.438 20 5 DEBDHN COC[C@@]1(C)CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000296858364 404345448 /nfs/dbraw/zinc/34/54/48/404345448.db2.gz UCMGURLOJIREGB-INIZCTEOSA-N 0 3 324.377 2.341 20 5 DEBDHN CC(C)OCC[C@@H](O)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000352570876 404464231 /nfs/dbraw/zinc/46/42/31/404464231.db2.gz NHQNTLMSAIAVRN-OAHLLOKOSA-N 0 3 310.394 2.245 20 5 DEBDHN CC(C)N1CCCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000342544961 404643625 /nfs/dbraw/zinc/64/36/25/404643625.db2.gz YHTPTBCMJPHVLR-UHFFFAOYSA-N 0 3 309.341 2.290 20 5 DEBDHN C[C@H](N[C@@H]1CCC[C@@]1(C)CO)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000351514711 404619635 /nfs/dbraw/zinc/61/96/35/404619635.db2.gz CTSGUZNANNPIDM-PEYYIBSZSA-N 0 3 321.377 2.063 20 5 DEBDHN CCn1c(C)nc([N+](=O)[O-])c1N(C)[C@@H]1CCN(CC)[C@@H](C)C1 ZINC000360996686 404872911 /nfs/dbraw/zinc/87/29/11/404872911.db2.gz STHQPJJCONWWRA-WCQYABFASA-N 0 3 309.414 2.429 20 5 DEBDHN CCc1nn(C)c(N[C@@H](C)CN2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000360959756 404862712 /nfs/dbraw/zinc/86/27/12/404862712.db2.gz HWDVGMCGYJPXPC-NEPJUHHUSA-N 0 3 309.414 2.423 20 5 DEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC3CCC2CC3)c1 ZINC000378379374 404948291 /nfs/dbraw/zinc/94/82/91/404948291.db2.gz ABVHODARMHQSRU-PIMMBPRGSA-N 0 3 306.362 2.209 20 5 DEBDHN CN(C)C1(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000416299885 405094180 /nfs/dbraw/zinc/09/41/80/405094180.db2.gz HJFZFRBLPJANAU-UHFFFAOYSA-N 0 3 303.318 2.165 20 5 DEBDHN O=C(c1csc([N+](=O)[O-])c1)N1CC[C@@H](N2CCCCC2)C1 ZINC000408100945 405112658 /nfs/dbraw/zinc/11/26/58/405112658.db2.gz XDWYYJCUVCBAGX-GFCCVEGCSA-N 0 3 309.391 2.357 20 5 DEBDHN C[C@@H]1C[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CN1C1CC1 ZINC000440932297 405331074 /nfs/dbraw/zinc/33/10/74/405331074.db2.gz MSBWUYRZYHZPQA-BXKDBHETSA-N 0 3 307.325 2.089 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC1=CCN(C)CC1 ZINC000446484765 405383183 /nfs/dbraw/zinc/38/31/83/405383183.db2.gz LKAVKJJRUIUXSD-UHFFFAOYSA-N 0 3 304.350 2.287 20 5 DEBDHN CN(C[C@H]1CCCN1C)C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000421714935 405609842 /nfs/dbraw/zinc/60/98/42/405609842.db2.gz WPBGCFOVNXUYIE-GFCCVEGCSA-N 0 3 323.418 2.240 20 5 DEBDHN COC(=O)Cc1ccc(N[C@H]2CCN(C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000450355060 405851993 /nfs/dbraw/zinc/85/19/93/405851993.db2.gz PLYXOTSZHXBSJN-AAEUAGOBSA-N 0 3 321.377 2.205 20 5 DEBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NCCN1CC[C@H](C)C1 ZINC000562527431 406025562 /nfs/dbraw/zinc/02/55/62/406025562.db2.gz NWKLRQZWJAQVAC-LBPRGKRZSA-N 0 3 321.377 2.065 20 5 DEBDHN COc1ccc(CNC[C@H](CO)Cc2ccco2)cc1[N+](=O)[O-] ZINC000532866022 406104885 /nfs/dbraw/zinc/10/48/85/406104885.db2.gz GZIWVKPQVCEQHI-CYBMUJFWSA-N 0 3 320.345 2.137 20 5 DEBDHN CN1CCC[C@H](CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000518143383 406130016 /nfs/dbraw/zinc/13/00/16/406130016.db2.gz IMGJHZVEYCMJFR-LLVKDONJSA-N 0 3 316.361 2.148 20 5 DEBDHN COC(=O)COc1ccc(CN2C[C@@H](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000475723928 406147999 /nfs/dbraw/zinc/14/79/99/406147999.db2.gz HDKZLMCMWZNMGS-NWDGAFQWSA-N 0 3 322.361 2.377 20 5 DEBDHN CC[C@@H]1CN(CCNC/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000487207512 406215278 /nfs/dbraw/zinc/21/52/78/406215278.db2.gz FVPHZWRCLDJFCX-GMNBZTITSA-N 0 3 319.405 2.308 20 5 DEBDHN C[C@H]1CCN(CCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000525292595 406482169 /nfs/dbraw/zinc/48/21/69/406482169.db2.gz BEQQANMLDFHSCU-NSHDSACASA-N 0 3 316.361 2.148 20 5 DEBDHN O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N1CCN2CCC1CC2 ZINC000492033340 406816554 /nfs/dbraw/zinc/81/65/54/406816554.db2.gz QSNDRLFWJRPXLT-RQOWECAXSA-N 0 3 319.336 2.054 20 5 DEBDHN CCOCCN(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000129672745 196066386 /nfs/dbraw/zinc/06/63/86/196066386.db2.gz BUXFEEHURMGUHO-UHFFFAOYSA-N 0 3 313.329 2.031 20 5 DEBDHN CCN(CCOc1ccc(OC)cc1[N+](=O)[O-])C[C@H](C)OC ZINC000291163358 222184698 /nfs/dbraw/zinc/18/46/98/222184698.db2.gz FZPOWUXMENFORZ-LBPRGKRZSA-N 0 3 312.366 2.339 20 5 DEBDHN CC[C@@H](C)N[C@@H](CNc1ncc([N+](=O)[O-])c(C)n1)c1ccco1 ZINC000450531421 425075804 /nfs/dbraw/zinc/07/58/04/425075804.db2.gz SRXVRVSRKDFTBE-PWSUYJOCSA-N 0 3 319.365 2.828 20 5 DEBDHN CCCN1CC[C@H](Nc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000596516824 425026089 /nfs/dbraw/zinc/02/60/89/425026089.db2.gz HSTADTOLUWRZPC-ZDUSSCGKSA-N 0 3 300.362 3.039 20 5 DEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC2(CC2)CC1 ZINC000363670981 269068122 /nfs/dbraw/zinc/06/81/22/269068122.db2.gz KPXMTLMMNHGWAN-CYBMUJFWSA-N 0 3 306.362 2.211 20 5 DEBDHN O=C(N[C@H]1CCN(C2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000363683106 269069841 /nfs/dbraw/zinc/06/98/41/269069841.db2.gz PFJVKHKBCRAZAM-ZDUSSCGKSA-N 0 3 303.362 2.342 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1CN1CCN(C)[C@@H](C(C)C)C1 ZINC000430245957 269128251 /nfs/dbraw/zinc/12/82/51/269128251.db2.gz VCQVCSXKZZVVIR-OAHLLOKOSA-N 0 3 307.394 2.375 20 5 DEBDHN C[C@H](N[C@H]1CSC[C@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000507271885 269316057 /nfs/dbraw/zinc/31/60/57/269316057.db2.gz IXPXBRXKBSQWCA-NRUUGDAUSA-N 0 3 309.391 2.263 20 5 DEBDHN COc1ccc(CN(C)C)cc1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000515030591 269340595 /nfs/dbraw/zinc/34/05/95/269340595.db2.gz UGCBBJFAYVXRKK-UHFFFAOYSA-N 0 3 318.333 2.245 20 5 DEBDHN CCS(=O)(=O)CCCN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000519528080 269417149 /nfs/dbraw/zinc/41/71/49/269417149.db2.gz MCTQNVCYQSRKOO-GFCCVEGCSA-N 0 3 314.407 2.379 20 5 DEBDHN C[C@@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000183589169 274223010 /nfs/dbraw/zinc/22/30/10/274223010.db2.gz ASZLVCNYUQLSQB-RYUDHWBXSA-N 0 3 321.381 2.232 20 5 DEBDHN O=[N+]([O-])c1cnc(N2CCCN(Cc3ccccc3)CC2)nc1 ZINC000273202319 275040832 /nfs/dbraw/zinc/04/08/32/275040832.db2.gz RRRXQSQNYNNBII-UHFFFAOYSA-N 0 3 313.361 2.097 20 5 DEBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000280983977 276499091 /nfs/dbraw/zinc/49/90/91/276499091.db2.gz PRVFTQXOBIWXCY-GFCCVEGCSA-N 0 3 321.377 2.160 20 5 DEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@H](CO)CC(F)(F)F ZINC000449205062 278298785 /nfs/dbraw/zinc/29/87/85/278298785.db2.gz KNXCSUHQUVYBFQ-ONGXEEELSA-N 0 3 306.284 2.429 20 5 DEBDHN C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000287299538 279087264 /nfs/dbraw/zinc/08/72/64/279087264.db2.gz UFFURRDCBOWWGE-RISCZKNCSA-N 0 3 321.352 2.433 20 5 DEBDHN C[C@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])N(C)C1CC1 ZINC000176162363 279345696 /nfs/dbraw/zinc/34/56/96/279345696.db2.gz LMXINWGZGIJHMH-SECBINFHSA-N 0 3 311.769 2.461 20 5 DEBDHN CC1CCN(CCNC(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000045623255 281444753 /nfs/dbraw/zinc/44/47/53/281444753.db2.gz GVYLETICAKQIFQ-UHFFFAOYSA-N 0 3 320.393 2.126 20 5 DEBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000367834262 297262441 /nfs/dbraw/zinc/26/24/41/297262441.db2.gz FMBFWQLHQROHGN-DGCLKSJQSA-N 0 3 321.352 2.433 20 5 DEBDHN N[C@@H](CC(F)F)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000573688518 326082172 /nfs/dbraw/zinc/08/21/72/326082172.db2.gz UJUDKKGMQOIFBY-LBPRGKRZSA-N 0 3 313.304 2.068 20 5 DEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000574586079 326168892 /nfs/dbraw/zinc/16/88/92/326168892.db2.gz NMSYRJQHPTUTJH-NILFDRSVSA-N 0 3 324.402 2.147 20 5 DEBDHN C[C@@H]1CN(CCN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000574956303 326204037 /nfs/dbraw/zinc/20/40/37/326204037.db2.gz FFKLBEVOHCCUOO-CXAGYDPISA-N 0 3 319.405 2.283 20 5 DEBDHN COC(=O)COc1ccc(CN(C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000582786800 337163734 /nfs/dbraw/zinc/16/37/34/337163734.db2.gz HKQPWIZZAVOIBF-UHFFFAOYSA-N 0 3 310.350 2.377 20 5 DEBDHN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@H](C)N(C)C ZINC000447802184 533934974 /nfs/dbraw/zinc/93/49/74/533934974.db2.gz IDUREYZEYFEESS-QMMMGPOBSA-N 0 3 315.757 2.397 20 5 DEBDHN CCCCN(C)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000154508618 520402374 /nfs/dbraw/zinc/40/23/74/520402374.db2.gz NIPLTVWTCKLCTG-UHFFFAOYSA-N 0 3 311.357 2.125 20 5 DEBDHN CCCCNC(=O)CCN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000338391016 520609569 /nfs/dbraw/zinc/60/95/69/520609569.db2.gz ZJGAIUACYWITBF-UHFFFAOYSA-N 0 3 307.394 2.376 20 5 DEBDHN Cc1c(CN2CCN(CC(C)(C)O)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000249418975 525704035 /nfs/dbraw/zinc/70/40/35/525704035.db2.gz WSXXDDFYPDORDF-CYBMUJFWSA-N 0 3 321.421 2.180 20 5 DEBDHN CCN1C[C@@H](C)N(CCOc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000330860532 527930591 /nfs/dbraw/zinc/93/05/91/527930591.db2.gz UWTYVDRNGDYGLE-OKILXGFUSA-N 0 3 307.394 2.388 20 5 DEBDHN CC[C@H](NC[C@H]1CN2CCC[C@@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000320854279 535914408 /nfs/dbraw/zinc/91/44/08/535914408.db2.gz XIIHNSQYJFCVOS-IKGGRYGDSA-N 0 3 319.405 2.499 20 5 DEBDHN CC[C@@H]1OCC[C@H]1N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000459781486 535947917 /nfs/dbraw/zinc/94/79/17/535947917.db2.gz SQKYVLPQIMDFMP-HONMWMINSA-N 0 3 307.350 2.079 20 5 DEBDHN CNC(=O)[C@@H]1CCC[C@@H]1N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000358262942 536363840 /nfs/dbraw/zinc/36/38/40/536363840.db2.gz FWLHZPLMBXWZAT-BNOWGMLFSA-N 0 3 305.378 2.469 20 5 DEBDHN Cc1c(C(=O)N[C@@]2(C)CN3CCC2CC3)cccc1[N+](=O)[O-] ZINC000892800926 625620604 /nfs/dbraw/zinc/62/06/04/625620604.db2.gz QIKMSJRPMVZBEF-INIZCTEOSA-N 0 3 303.362 2.117 20 5 DEBDHN CC(COC(=O)CCCOc1ccc(F)cc1F)[N+](=O)[O-] ZINC000813107900 623315128 /nfs/dbraw/zinc/31/51/28/623315128.db2.gz RNHZRGFWOJAJQI-SECBINFHSA-N 0 3 303.261 2.332 20 5 DEBDHN O=C(C=C1CCC1)N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001021952064 624143852 /nfs/dbraw/zinc/14/38/52/624143852.db2.gz BTSNCIKJIWMTQI-GASCZTMLSA-N 0 3 315.373 2.442 20 5 DEBDHN COc1cccc([C@H](CNc2c([N+](=O)[O-])cnn2C)N(C)C)c1 ZINC000891500814 624460449 /nfs/dbraw/zinc/46/04/49/624460449.db2.gz DYDSKRHWIYWAHW-ZDUSSCGKSA-N 0 3 319.365 2.052 20 5 DEBDHN COc1c(O)ccc(CN2CCC3(C2)CCOCC3)c1[N+](=O)[O-] ZINC000892195144 624835534 /nfs/dbraw/zinc/83/55/34/624835534.db2.gz NSOZVLWZKDRGDZ-UHFFFAOYSA-N 0 3 322.361 2.312 20 5 DEBDHN C[C@@H](CNC(=O)N[C@H]1CCCN(C)C1)c1ccccc1[N+](=O)[O-] ZINC000892239034 624862512 /nfs/dbraw/zinc/86/25/12/624862512.db2.gz GMIWPXNFSMTGPB-STQMWFEESA-N 0 3 320.393 2.092 20 5 DEBDHN COc1c([O-])ccc(C[NH2+][C@@H]2CCOC(C)(C)C2)c1[N+](=O)[O-] ZINC000893236532 625267289 /nfs/dbraw/zinc/26/72/89/625267289.db2.gz HVZYLYGSPBDQDI-LLVKDONJSA-N 0 3 310.350 2.356 20 5 DEBDHN COc1c([O-])ccc(C[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000893620471 635154729 /nfs/dbraw/zinc/15/47/29/635154729.db2.gz JTKOJCYWIRHNKG-TZMCWYRMSA-N 0 3 322.361 2.356 20 5 DEBDHN CC[C@@H]1CN(CC)CCN1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894743316 637192976 /nfs/dbraw/zinc/19/29/76/637192976.db2.gz FZTYNIVNEBGCHP-CYBMUJFWSA-N 0 3 323.393 2.225 20 5 DEBDHN COc1c([O-])ccc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@H]2C)c1[N+](=O)[O-] ZINC000894911394 637326200 /nfs/dbraw/zinc/32/62/00/637326200.db2.gz WZNIOLBRLHZAPR-SCVCMEIPSA-N 0 3 310.350 2.212 20 5 DEBDHN CO[C@@H](CNCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000895310112 637912218 /nfs/dbraw/zinc/91/22/18/637912218.db2.gz QFVKEOJRTLUQEU-RISCZKNCSA-N 0 3 314.769 2.389 20 5 DEBDHN COc1c([O-])ccc(C[NH2+]CCc2cnccc2C)c1[N+](=O)[O-] ZINC000895334718 637937304 /nfs/dbraw/zinc/93/73/04/637937304.db2.gz SGNZXGNTXYVMKK-UHFFFAOYSA-N 0 3 317.345 2.345 20 5 DEBDHN CCc1ccc(C(=O)NCCN2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000746711188 638371894 /nfs/dbraw/zinc/37/18/94/638371894.db2.gz CBWRSCCFFVROLT-LBPRGKRZSA-N 0 3 305.378 2.371 20 5 DEBDHN O=[N+]([O-])c1ccccc1/C=C/CN1CC[C@H](C2OCCO2)C1 ZINC000896384205 638496257 /nfs/dbraw/zinc/49/62/57/638496257.db2.gz JMOQNWKODITSDP-KQIUPUNMSA-N 0 3 304.346 2.303 20 5 DEBDHN COc1cccc(NC[C@@H]2CCN2C2CCOCC2)c1[N+](=O)[O-] ZINC000896522776 638563322 /nfs/dbraw/zinc/56/33/22/638563322.db2.gz LIRBVBAJWPTXBR-ZDUSSCGKSA-N 0 3 321.377 2.269 20 5 DEBDHN C[C@@](CO)(NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000750067795 638708055 /nfs/dbraw/zinc/70/80/55/638708055.db2.gz RTURWZDPTGFTST-SJORKVTESA-N 0 3 316.357 2.126 20 5 DEBDHN C[C@H]1CCN(CCNC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000750075389 638709631 /nfs/dbraw/zinc/70/96/31/638709631.db2.gz XZZHQZLFBJLNIU-JTQLQIEISA-N 0 3 311.769 2.320 20 5 DEBDHN Cc1cc(F)cc(C(=O)N[C@@H]2CCN(CC3CC3)C2)c1[N+](=O)[O-] ZINC000753101223 639258187 /nfs/dbraw/zinc/25/81/87/639258187.db2.gz DOGJJPMQARKJBI-CYBMUJFWSA-N 0 3 321.352 2.256 20 5 DEBDHN CC(C)(C)[C@@H]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000754226526 639404064 /nfs/dbraw/zinc/40/40/64/639404064.db2.gz OYSTZMLVQORLIU-PMPSAXMXSA-N 0 3 322.405 2.357 20 5 DEBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000755148941 639523550 /nfs/dbraw/zinc/52/35/50/639523550.db2.gz RRUZZMRQPOUPDF-WONIAPNHSA-N 0 3 315.373 2.351 20 5 DEBDHN O=[N+]([O-])c1ccc2c(cnn2CN2CCC[C@@H]3COCC[C@H]32)c1 ZINC000756887084 639709857 /nfs/dbraw/zinc/70/98/57/639709857.db2.gz MTTNLHKJUXUSQW-IUODEOHRSA-N 0 3 316.361 2.403 20 5 DEBDHN C[C@@H](NC(=O)N[C@@H]1CCN(C)[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000923983521 639721881 /nfs/dbraw/zinc/72/18/81/639721881.db2.gz SJWPECPPZDWMME-NQBHXWOUSA-N 0 3 306.366 2.048 20 5 DEBDHN Cc1nc([C@@H]2CCN(Cc3cc(F)ccc3[N+](=O)[O-])C2)n[nH]1 ZINC000839659182 639782026 /nfs/dbraw/zinc/78/20/26/639782026.db2.gz ITPCADLVWLSGQW-SNVBAGLBSA-N 0 3 305.313 2.150 20 5 DEBDHN Cc1n[nH]c([C@@H]2CCN(Cc3cc(F)ccc3[N+](=O)[O-])C2)n1 ZINC000839659182 639782028 /nfs/dbraw/zinc/78/20/28/639782028.db2.gz ITPCADLVWLSGQW-SNVBAGLBSA-N 0 3 305.313 2.150 20 5 DEBDHN Cc1nnc([C@@H]2CCN(Cc3cc(F)ccc3[N+](=O)[O-])C2)[nH]1 ZINC000839659182 639782030 /nfs/dbraw/zinc/78/20/30/639782030.db2.gz ITPCADLVWLSGQW-SNVBAGLBSA-N 0 3 305.313 2.150 20 5 DEBDHN COc1c(O)ccc(CNC[C@H]2CC[C@H](C3CC3)O2)c1[N+](=O)[O-] ZINC000897506089 640511578 /nfs/dbraw/zinc/51/15/78/640511578.db2.gz ULIVUKLMAGJUEN-TZMCWYRMSA-N 0 3 322.361 2.356 20 5 DEBDHN COc1c([O-])ccc(C[NH2+]C2CC3(C2)CO[C@H](C)C3)c1[N+](=O)[O-] ZINC000897776677 640922562 /nfs/dbraw/zinc/92/25/62/640922562.db2.gz UQJZZQKJKWFHBH-WCVRRQIGSA-N 0 3 322.361 2.356 20 5 DEBDHN COc1nn(C)cc1CN[C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000898025879 641003552 /nfs/dbraw/zinc/00/35/52/641003552.db2.gz ODQKOCLHLOXWHR-GFCCVEGCSA-N 0 3 318.377 2.448 20 5 DEBDHN COc1cnccc1[C@H](C)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000782650281 642911799 /nfs/dbraw/zinc/91/17/99/642911799.db2.gz XTGWBCKETVCMNV-NHYWBVRUSA-N 0 3 317.345 2.383 20 5 DEBDHN COc1cc([C@H](C)N[C@@H](C)CO[C@H]2CCOC2)cc([N+](=O)[O-])c1 ZINC000903111549 643252825 /nfs/dbraw/zinc/25/28/25/643252825.db2.gz WEQGMDXFCJMUIU-HUBLWGQQSA-N 0 3 324.377 2.448 20 5 DEBDHN COc1cc([C@H](C)N[C@H](C)CO[C@@H]2CCOC2)cc([N+](=O)[O-])c1 ZINC000903111554 643252863 /nfs/dbraw/zinc/25/28/63/643252863.db2.gz WEQGMDXFCJMUIU-TYNCELHUSA-N 0 3 324.377 2.448 20 5 DEBDHN COCCOC[C@H](C)N[C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903119135 643258480 /nfs/dbraw/zinc/25/84/80/643258480.db2.gz GXQSNCOZMXZIGT-NWDGAFQWSA-N 0 3 312.366 2.306 20 5 DEBDHN C[C@@H](NC(=S)NC1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000905642551 643992687 /nfs/dbraw/zinc/99/26/87/643992687.db2.gz YBIJKJHNWNEMPE-LLVKDONJSA-N 0 3 322.434 2.214 20 5 DEBDHN CCN1CCCN(C(=O)c2c(F)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000910268600 645378684 /nfs/dbraw/zinc/37/86/84/645378684.db2.gz ZYUCSWGNJXLPLV-LLVKDONJSA-N 0 3 309.341 2.290 20 5 DEBDHN CCN1CCCN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000910290111 645392542 /nfs/dbraw/zinc/39/25/42/645392542.db2.gz VWZHMOKCGUNQMP-LBPRGKRZSA-N 0 3 321.377 2.160 20 5 DEBDHN CCN1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC000910290584 645392686 /nfs/dbraw/zinc/39/26/86/645392686.db2.gz ZMDGCFIZZZECRT-CYBMUJFWSA-N 0 3 305.378 2.460 20 5 DEBDHN COc1ccc(C)cc1-n1ccc(C(=O)OCC(C)[N+](=O)[O-])n1 ZINC000813102501 646728571 /nfs/dbraw/zinc/72/85/71/646728571.db2.gz GRVVMVKUTUHJBS-NSHDSACASA-N 0 3 319.317 2.011 20 5 DEBDHN CCOc1ccc(OC(C)(C)C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813102963 646729043 /nfs/dbraw/zinc/72/90/43/646729043.db2.gz WVWZKHXHMGJTCC-NSHDSACASA-N 0 3 311.334 2.451 20 5 DEBDHN CC(COC(=O)CCc1cnn(-c2ccccc2)c1)[N+](=O)[O-] ZINC000813106148 646729432 /nfs/dbraw/zinc/72/94/32/646729432.db2.gz ZLBIJZJZRZOMOC-GFCCVEGCSA-N 0 3 303.318 2.013 20 5 DEBDHN COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813106308 646729679 /nfs/dbraw/zinc/72/96/79/646729679.db2.gz AJTQKIPFMMYJDZ-SUZMYJTESA-N 0 3 309.318 2.016 20 5 DEBDHN CC(COC(=O)/C=C\c1ccc(Br)o1)[N+](=O)[O-] ZINC000813106080 646729768 /nfs/dbraw/zinc/72/97/68/646729768.db2.gz XZFULXPRLYYGMH-YSCPKTQFSA-N 0 3 304.096 2.264 20 5 DEBDHN Cc1ccccc1C1(C(=O)OCC(C)[N+](=O)[O-])CCOCC1 ZINC000813109224 646730223 /nfs/dbraw/zinc/73/02/23/646730223.db2.gz GZOJUYSRKFCNNI-ZDUSSCGKSA-N 0 3 307.346 2.252 20 5 DEBDHN COc1ccc2cc(C(=O)OCC(C)[N+](=O)[O-])c(C)nc2c1 ZINC000813108909 646730517 /nfs/dbraw/zinc/73/05/17/646730517.db2.gz BWIWOEOYNHWLFJ-SECBINFHSA-N 0 3 304.302 2.374 20 5 DEBDHN CC(COC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)[N+](=O)[O-] ZINC000813111883 646731212 /nfs/dbraw/zinc/73/12/12/646731212.db2.gz BBUGMCZCMKUMGO-RKDXNWHRSA-N 0 3 314.319 2.284 20 5 DEBDHN CC(COC(=O)[C@H]1CCCCN1Cc1ccc(F)cc1)[N+](=O)[O-] ZINC000813111341 646731324 /nfs/dbraw/zinc/73/13/24/646731324.db2.gz RLBVCWUQWCPPGT-SWLSCSKDSA-N 0 3 324.352 2.389 20 5 DEBDHN CC(COC(=O)Cc1ccc(F)c(Br)c1)[N+](=O)[O-] ZINC000813112904 646731400 /nfs/dbraw/zinc/73/14/00/646731400.db2.gz WBUVWQCCSWPXAN-ZETCQYMHSA-N 0 3 320.114 2.339 20 5 DEBDHN Cc1ccc(C2(C(=O)OCC(C)[N+](=O)[O-])CCOCC2)cc1 ZINC000813110798 646731547 /nfs/dbraw/zinc/73/15/47/646731547.db2.gz JQWOLWSOCAAXFJ-ZDUSSCGKSA-N 0 3 307.346 2.252 20 5 DEBDHN CC(COC(=O)c1ccc(-c2cncnc2)cc1F)[N+](=O)[O-] ZINC000813114788 646733261 /nfs/dbraw/zinc/73/32/61/646733261.db2.gz GRWIRRMQGMADQU-SECBINFHSA-N 0 3 305.265 2.105 20 5 DEBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000820273418 647815992 /nfs/dbraw/zinc/81/59/92/647815992.db2.gz UJTUVKFQEXMANP-ZWNOBZJWSA-N 0 3 321.402 2.093 20 5 DEBDHN CC[C@H](C)N1CCN(c2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000829244288 649286754 /nfs/dbraw/zinc/28/67/54/649286754.db2.gz VHJUKKAGXGDCPG-JTQLQIEISA-N 0 3 305.338 2.052 20 5 DEBDHN O=[N+]([O-])c1ccc(OCCCN2CC[C@](O)(C(F)F)C2)cc1 ZINC000831170066 649548078 /nfs/dbraw/zinc/54/80/78/649548078.db2.gz NUBFTKVKTBLGFJ-CQSZACIVSA-N 0 3 316.304 2.066 20 5 DEBDHN O=[N+]([O-])c1ccc(Cc2noc([C@@H]3CC[C@@H](C4CC4)N3)n2)nc1 ZINC000844912968 651182612 /nfs/dbraw/zinc/18/26/12/651182612.db2.gz MIKAGXHUZKBWKG-STQMWFEESA-N 0 3 315.333 2.167 20 5 DEBDHN Cc1nn(C)cc1C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845874393 651291086 /nfs/dbraw/zinc/29/10/86/651291086.db2.gz ICGCDPPKBKPYKH-YGRLFVJLSA-N 0 3 321.308 2.431 20 5 DEBDHN CCn1nncc1C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845884565 651292132 /nfs/dbraw/zinc/29/21/32/651292132.db2.gz ZQSYDCMNCZTVPE-NOZJJQNGSA-N 0 3 322.296 2.000 20 5 DEBDHN CCN1C[C@@H](CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)OC1=O ZINC000846847103 651356369 /nfs/dbraw/zinc/35/63/69/651356369.db2.gz KHAZJQMZECYCJB-DGCLKSJQSA-N 0 3 307.350 2.395 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000929117962 693899629 /nfs/dbraw/zinc/89/96/29/693899629.db2.gz DAZVHXAMAHRRHC-CYBMUJFWSA-N 0 3 306.366 2.461 20 5 DEBDHN CC(C)(NC[C@@H]1C[C@@H]2COC[C@H]2O1)c1ccccc1[N+](=O)[O-] ZINC000930555207 694188966 /nfs/dbraw/zinc/18/89/66/694188966.db2.gz TXINIVREEHGRCY-TYNCELHUSA-N 0 3 306.362 2.223 20 5 DEBDHN CC(COC(=O)c1ccc(OCc2ccccc2)cn1)[N+](=O)[O-] ZINC000870377632 688551868 /nfs/dbraw/zinc/55/18/68/688551868.db2.gz RMHJXPDBOJRWNZ-GFCCVEGCSA-N 0 3 316.313 2.483 20 5 DEBDHN COCC[C@@H](CO)N[C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872070391 688921690 /nfs/dbraw/zinc/92/16/90/688921690.db2.gz ZHTABSBUNJXWBN-MNOVXSKESA-N 0 3 314.407 2.365 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000874835806 689509860 /nfs/dbraw/zinc/50/98/60/689509860.db2.gz AOQLYOSHTGAQQR-CABCVRRESA-N 0 3 303.362 2.212 20 5 DEBDHN Cc1cc(C(=O)N2CC[C@H]3[C@H]2CCCN3C)cc([N+](=O)[O-])c1 ZINC000874845056 689515778 /nfs/dbraw/zinc/51/57/78/689515778.db2.gz UKDKEZAHERSBOV-LSDHHAIUSA-N 0 3 303.362 2.212 20 5 DEBDHN Cc1cc(C(=O)N2CC[C@H]3[C@H]2CCCN3C)ccc1[N+](=O)[O-] ZINC000874849597 689518083 /nfs/dbraw/zinc/51/80/83/689518083.db2.gz KGNXVPYRBCBKOD-LSDHHAIUSA-N 0 3 303.362 2.212 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC2(CNC(=O)O2)CC1 ZINC000877459472 690119892 /nfs/dbraw/zinc/11/98/92/690119892.db2.gz HAKMYJNEVHCRBH-UHFFFAOYSA-N 0 3 319.361 2.286 20 5 DEBDHN CC(C)[C@@H](NCc1cn(C)nc1[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC000878596288 690450199 /nfs/dbraw/zinc/45/01/99/690450199.db2.gz BQVJHBVOFJFEIP-CABCVRRESA-N 0 3 318.377 2.176 20 5 DEBDHN CO[C@@H]1COCC[C@H]1N(C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000880432761 690897599 /nfs/dbraw/zinc/89/75/99/690897599.db2.gz HLFINFQDIOALJF-TZMCWYRMSA-N 0 3 314.769 2.484 20 5 DEBDHN COC[C@@H](NCc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CCCOC1 ZINC000886916247 692230194 /nfs/dbraw/zinc/23/01/94/692230194.db2.gz RAJCAXHSWZWRGI-GXTWGEPZSA-N 0 3 312.341 2.265 20 5 DEBDHN CC(C)[C@@H](C(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-])N(C)C ZINC000887403257 692355762 /nfs/dbraw/zinc/35/57/62/692355762.db2.gz SHATWLFPFVHSSN-DOMZBBRYSA-N 0 3 307.394 2.401 20 5 DEBDHN C[C@]1([C@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3)C2)COC(=O)N1 ZINC000932026458 694530941 /nfs/dbraw/zinc/53/09/41/694530941.db2.gz LNAKUZWVJNGLHS-XJKSGUPXSA-N 0 3 319.361 2.305 20 5 DEBDHN CCCC(=O)N1C[C@H]2CN(Cc3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC001048646229 692665911 /nfs/dbraw/zinc/66/59/11/692665911.db2.gz KKOJKZHVILSLEH-GASCZTMLSA-N 0 3 317.389 2.285 20 5 DEBDHN CC1(C)CCN(CCNC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000890079359 692856540 /nfs/dbraw/zinc/85/65/40/692856540.db2.gz VDXCTEGXTANIKB-UHFFFAOYSA-N 0 3 309.341 2.196 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000926943873 693532901 /nfs/dbraw/zinc/53/29/01/693532901.db2.gz WPTMJVFHIFTZDF-MSIPSHCFSA-N 0 3 322.361 2.058 20 5 DEBDHN CCN1CCCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000932354717 694599568 /nfs/dbraw/zinc/59/95/68/694599568.db2.gz XBPOEZKNQRAFFT-UHFFFAOYSA-N 0 3 323.368 2.221 20 5 DEBDHN CC(C)(C)OC(=O)NC[C@@H](NCC[N+](=O)[O-])C1CCCCC1 ZINC001332726477 1149885214 /nfs/dbraw/zinc/88/52/14/1149885214.db2.gz KUJHBSRLCSNMEX-CYBMUJFWSA-N 0 3 315.414 2.326 20 5 DEBDHN O=C(NCCN1CCCCC1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001332846668 1149899907 /nfs/dbraw/zinc/89/99/07/1149899907.db2.gz ADCWSICBGQGHSQ-HOTGVXAUSA-N 0 3 317.389 2.300 20 5 DEBDHN CCN1C[C@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])C(C)(C)C1 ZINC001472059157 1151859926 /nfs/dbraw/zinc/85/99/26/1151859926.db2.gz UYFOHWLIJQIUOI-LBPRGKRZSA-N 0 3 309.341 2.194 20 5 DEBDHN COc1cc(C(=O)N[C@@H]2CCCN(C(C)C)C2)ccc1[N+](=O)[O-] ZINC001447430844 1184772603 /nfs/dbraw/zinc/77/26/03/1184772603.db2.gz NNZFQCUGTVVCSJ-CYBMUJFWSA-N 0 3 321.377 2.206 20 5 DEBDHN NCc1nn(-c2c(Cl)nccc2[N+](=O)[O-])c2ccccc12 ZINC001167696354 777873292 /nfs/dbraw/zinc/87/32/92/777873292.db2.gz FWDNBESRHUPPQB-UHFFFAOYSA-N 0 3 303.709 2.441 20 5 DEBDHN Cc1sccc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001126834629 780968844 /nfs/dbraw/zinc/96/88/44/780968844.db2.gz VSYDRLXMTPAZJZ-UHFFFAOYSA-N 0 3 319.386 2.484 20 5 DEBDHN NCc1cn(-c2nc3ccccc3c(Cl)c2[N+](=O)[O-])cn1 ZINC001154906979 783720817 /nfs/dbraw/zinc/72/08/17/783720817.db2.gz RISDZYWNXAMQQW-UHFFFAOYSA-N 0 3 303.709 2.441 20 5 DEBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCc3cc4c(cc3C2)OCO4)C1 ZINC001169010965 785003284 /nfs/dbraw/zinc/00/32/84/785003284.db2.gz GSESTMKSLJGUAP-RISCZKNCSA-N 0 3 304.346 2.219 20 5 DEBDHN NCc1ccc2c(n1)N(c1cnc(F)c([N+](=O)[O-])c1)CCC2 ZINC001169591485 785252068 /nfs/dbraw/zinc/25/20/68/785252068.db2.gz YAGZGUNARDUFRS-UHFFFAOYSA-N 0 3 303.297 2.067 20 5 DEBDHN COc1ccc(C[C@H](C)N[C@H]2CCOC[C@@H]2F)c([N+](=O)[O-])c1 ZINC001170306508 786914597 /nfs/dbraw/zinc/91/45/97/786914597.db2.gz WOBSSDJLECDIDM-BPNCWPANSA-N 0 3 312.341 2.251 20 5 DEBDHN CC1(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001132003920 787879105 /nfs/dbraw/zinc/87/91/05/787879105.db2.gz GBMNZEHYDGIJKL-UHFFFAOYSA-N 0 3 305.378 2.381 20 5 DEBDHN CC(C)(C(=O)NCCNCc1ccc([N+](=O)[O-])cc1)C(F)F ZINC001133571167 788494174 /nfs/dbraw/zinc/49/41/74/788494174.db2.gz JFEOUIUUBAXZPA-UHFFFAOYSA-N 0 3 315.320 2.092 20 5 DEBDHN CCN(C)C(C)(C)C(=O)NCCCNc1ccc([N+](=O)[O-])cc1 ZINC001094639981 793035694 /nfs/dbraw/zinc/03/56/94/793035694.db2.gz LDTVKOMUESZEGA-UHFFFAOYSA-N 0 3 322.409 2.243 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)NCc2ccnn2C)c1F ZINC001173174866 793617769 /nfs/dbraw/zinc/61/77/69/793617769.db2.gz DWKMWOPYAFXDEH-SNVBAGLBSA-N 0 3 322.340 2.197 20 5 DEBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC2(CC(=O)CO2)CC1 ZINC001173221959 793637749 /nfs/dbraw/zinc/63/77/49/793637749.db2.gz NSFAZAAMNAHDAG-ZDUSSCGKSA-N 0 3 318.373 2.350 20 5 DEBDHN CC(=O)N[C@H]1CCCN([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173225668 793641708 /nfs/dbraw/zinc/64/17/08/793641708.db2.gz FHOVOOFKUKFENB-DOMZBBRYSA-N 0 3 305.378 2.126 20 5 DEBDHN C[C@@H](C(=O)NC[C@H]1CCCCN1C)c1ccc([N+](=O)[O-])cc1F ZINC001120727265 795520468 /nfs/dbraw/zinc/52/04/68/795520468.db2.gz TYSZENAYNAUAOI-DGCLKSJQSA-N 0 3 323.368 2.438 20 5 DEBDHN C/C(=C/C(=O)NCCNCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001124217008 796046305 /nfs/dbraw/zinc/04/63/05/796046305.db2.gz INNNTSPQFVKJTF-XFXZXTDPSA-N 0 3 303.362 2.157 20 5 DEBDHN O=[N+]([O-])c1ccc(N2CC(N[C@@H]3CCOC3)C2)c(C(F)F)c1 ZINC001187739915 796572393 /nfs/dbraw/zinc/57/23/93/796572393.db2.gz OEXPZWFAXDSYAM-SECBINFHSA-N 0 3 313.304 2.100 20 5 DEBDHN Cc1cc(CN)nn1-c1nc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001156038577 797910181 /nfs/dbraw/zinc/91/01/81/797910181.db2.gz CLPAVCYQFQLJCB-UHFFFAOYSA-N 0 3 302.121 2.249 20 5 DEBDHN O=[N+]([O-])c1cnc(N2CCNC[C@@H]2c2cccs2)c(F)c1 ZINC001156097315 797925328 /nfs/dbraw/zinc/92/53/28/797925328.db2.gz HLJJLCDSVPQPCI-LLVKDONJSA-N 0 3 308.338 2.341 20 5 DEBDHN CCN1C[C@@H](NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC001156827452 798089286 /nfs/dbraw/zinc/08/92/86/798089286.db2.gz FDXHLUSUSINTAZ-CQSZACIVSA-N 0 3 321.377 2.064 20 5 DEBDHN C[C@@H](N)c1ccn(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)n1 ZINC001158348424 798389565 /nfs/dbraw/zinc/38/95/65/798389565.db2.gz GXJFBGRNMOTAQS-ZCFIWIBFSA-N 0 3 317.683 2.457 20 5 DEBDHN C[C@@H](N)c1ccn(-c2ccc(-c3ccc([N+](=O)[O-])cc3)nn2)n1 ZINC001158351107 798390868 /nfs/dbraw/zinc/39/08/68/798390868.db2.gz UITYSLANUBXERV-SNVBAGLBSA-N 0 3 310.317 2.257 20 5 DEBDHN O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CCNC2(CC2)C1 ZINC001158932985 798492423 /nfs/dbraw/zinc/49/24/23/798492423.db2.gz HKPLADINQRAPJF-UHFFFAOYSA-N 0 3 303.149 2.239 20 5 DEBDHN C[C@H](Nc1nc(Cl)cc(Cl)c1[N+](=O)[O-])[C@H]1CNCCO1 ZINC001159495029 798571774 /nfs/dbraw/zinc/57/17/74/798571774.db2.gz BMIREXOXEYVRCQ-POYBYMJQSA-N 0 3 321.164 2.085 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 ZINC001200804425 798682670 /nfs/dbraw/zinc/68/26/70/798682670.db2.gz ZAJDDHBQADFCLS-GHJWDPDVSA-N 0 3 317.389 2.311 20 5 DEBDHN C[C@H](N)c1nc2ccccc2n1-c1ncnc(Cl)c1[N+](=O)[O-] ZINC001162760221 799167641 /nfs/dbraw/zinc/16/76/41/799167641.db2.gz MHZRICJNQOQUPX-ZETCQYMHSA-N 0 3 318.724 2.397 20 5 DEBDHN Cc1coc(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])c1 ZINC001164312759 799568361 /nfs/dbraw/zinc/56/83/61/799568361.db2.gz WUUUKEVRQQWEIQ-UHFFFAOYSA-N 0 3 317.345 2.406 20 5 DEBDHN CCOc1nc(N2CCN(C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC001165091120 799649048 /nfs/dbraw/zinc/64/90/48/799649048.db2.gz MXFHZKQXBFCROB-UHFFFAOYSA-N 0 3 308.382 2.309 20 5 DEBDHN COC(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1CCN(C(C)C)C1 ZINC001229057045 801216847 /nfs/dbraw/zinc/21/68/47/801216847.db2.gz ZZMBXOISTCUBKW-LBPRGKRZSA-N 0 3 308.334 2.243 20 5 DEBDHN CC1(C)C[C@H](Oc2[n-]c(=O)nc3cc([N+](=O)[O-])ccc32)CC[NH2+]1 ZINC001218472526 802187963 /nfs/dbraw/zinc/18/79/63/802187963.db2.gz RBDKJKYLSVPYKH-SNVBAGLBSA-N 0 3 318.333 2.153 20 5 DEBDHN O=[N+]([O-])c1c([O-])ccnc1O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001225662420 802998522 /nfs/dbraw/zinc/99/85/22/802998522.db2.gz SQFHFTXGNAITDT-CYBMUJFWSA-N 0 3 315.329 2.349 20 5 DEBDHN O=[N+]([O-])c1c([O-])ccnc1O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001225662420 802998528 /nfs/dbraw/zinc/99/85/28/802998528.db2.gz SQFHFTXGNAITDT-CYBMUJFWSA-N 0 3 315.329 2.349 20 5 DEBDHN Cc1nc(Cl)nc(O[C@@H]2CCN(C(C)C)C2)c1[N+](=O)[O-] ZINC001227339916 803231584 /nfs/dbraw/zinc/23/15/84/803231584.db2.gz LWYMFJWLLRTKCG-SECBINFHSA-N 0 3 300.746 2.208 20 5 DEBDHN CCCC[N@H+](CC)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001604182392 1070267686 /nfs/dbraw/zinc/26/76/86/1070267686.db2.gz VMWRDHVLERBCQM-UHFFFAOYSA-N 0 3 304.354 2.397 20 5 DEBDHN CCCC[N@@H+](CC)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001604182392 1070267704 /nfs/dbraw/zinc/26/77/04/1070267704.db2.gz VMWRDHVLERBCQM-UHFFFAOYSA-N 0 3 304.354 2.397 20 5 DEBDHN CCCC[N@H+](CC)Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001604182392 1070267719 /nfs/dbraw/zinc/26/77/19/1070267719.db2.gz VMWRDHVLERBCQM-UHFFFAOYSA-N 0 3 304.354 2.397 20 5 DEBDHN CCCC[N@@H+](CC)Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001604182392 1070267736 /nfs/dbraw/zinc/26/77/36/1070267736.db2.gz VMWRDHVLERBCQM-UHFFFAOYSA-N 0 3 304.354 2.397 20 5 DEBDHN CC1(C)CN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CCN1 ZINC001635316139 1078447551 /nfs/dbraw/zinc/44/75/51/1078447551.db2.gz SOJJABHQHAQSKX-UHFFFAOYSA-N 0 3 311.769 2.001 20 5 DEBDHN N[C@H](C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C1CCC1 ZINC001580110612 1067496809 /nfs/dbraw/zinc/49/68/09/1067496809.db2.gz XMWOIOLRWNSNMS-ZBFHGGJFSA-N 0 3 317.389 2.428 20 5 DEBDHN Cc1cnc(N2CCN[C@H](c3ccc(O)cc3)C2)c([N+](=O)[O-])c1 ZINC001640350238 1078656395 /nfs/dbraw/zinc/65/63/95/1078656395.db2.gz DTARPKPKJQVOKO-AWEZNQCLSA-N 0 3 314.345 2.155 20 5 DEBDHN CC(C)C[C@@H](N)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC001573504066 1069022793 /nfs/dbraw/zinc/02/27/93/1069022793.db2.gz MODWGPXBEXHTES-GFCCVEGCSA-N 0 3 302.334 2.455 20 5 DEBDHN CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2OC)[C@@H](CC)CN1 ZINC001573719435 1069079074 /nfs/dbraw/zinc/07/90/74/1069079074.db2.gz OXZTVZGTEARLJZ-NEPJUHHUSA-N 0 3 321.377 2.206 20 5 DEBDHN C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001609154835 1077776420 /nfs/dbraw/zinc/77/64/20/1077776420.db2.gz SHXYHHUNLFASHV-GHMZBOCLSA-N 0 3 316.365 2.253 20 5 DEBDHN C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609165518 1077782255 /nfs/dbraw/zinc/78/22/55/1077782255.db2.gz OYQPIQPNBAXSAN-ZWNOBZJWSA-N 0 3 316.365 2.443 20 5 DEBDHN C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609165518 1077782258 /nfs/dbraw/zinc/78/22/58/1077782258.db2.gz OYQPIQPNBAXSAN-ZWNOBZJWSA-N 0 3 316.365 2.443 20 5 DEBDHN COc1cc(C[NH2+][C@H]2CCO[C@@H](C3CC3)C2)c([N+](=O)[O-])cc1[O-] ZINC001657749002 1080184509 /nfs/dbraw/zinc/18/45/09/1080184509.db2.gz FXCNVHXIPGJRHT-SWLSCSKDSA-N 0 3 322.361 2.356 20 5 DEBDHN O=C(NCC1(NCc2cccc([N+](=O)[O-])c2)CCC1)C1CC1 ZINC001673138994 1081740521 /nfs/dbraw/zinc/74/05/21/1081740521.db2.gz FMELMECMOMGHKT-UHFFFAOYSA-N 0 3 303.362 2.133 20 5 DEBDHN Cc1cc(-n2cnc(CN)c2)c([N+](=O)[O-])cc1Br ZINC001162304411 1086317465 /nfs/dbraw/zinc/31/74/65/1086317465.db2.gz IZBSUPXONJKJEA-UHFFFAOYSA-N 0 3 311.139 2.310 20 5 DEBDHN CC(C)(C)N1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001323477131 1141857177 /nfs/dbraw/zinc/85/71/77/1141857177.db2.gz RQORZVIXAPKYAU-OAHLLOKOSA-N 0 3 307.394 2.044 20 5 DEBDHN CC(=O)N(C)[C@@H]1CCN([C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254566354 1143250681 /nfs/dbraw/zinc/25/06/81/1143250681.db2.gz STXAMEXJUDDDSU-IUODEOHRSA-N 0 3 305.378 2.078 20 5 DEBDHN Cc1ccc(CN)nc1N(C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254569524 1143252809 /nfs/dbraw/zinc/25/28/09/1143252809.db2.gz ZBVZYQMHSKPDDB-INIZCTEOSA-N 0 3 312.373 2.361 20 5 DEBDHN CCC(=O)NC1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254599942 1143275048 /nfs/dbraw/zinc/27/50/48/1143275048.db2.gz NBBAYHADXGNLHN-INIZCTEOSA-N 0 3 317.389 2.053 20 5 DEBDHN COc1cc(C(=O)N2[C@H](C)CN[C@H](C)[C@@H]2C)cc([N+](=O)[O-])c1C ZINC001342551308 1143823780 /nfs/dbraw/zinc/82/37/80/1143823780.db2.gz BCUYEYZBJDOHBP-JLLWLGSASA-N 0 3 321.377 2.123 20 5 DEBDHN O=C(N[C@@]12CCN(C1)CCC2)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001288003273 1146761154 /nfs/dbraw/zinc/76/11/54/1146761154.db2.gz KITJOSNFUWHSJJ-INMHGKMJSA-N 0 3 315.373 2.053 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCCC[C@@H]1[C@@H]1CCCO1 ZINC001308159019 1147449920 /nfs/dbraw/zinc/44/99/20/1147449920.db2.gz FZUUJDHTGXWJQR-KGLIPLIRSA-N 0 3 308.382 2.133 20 5 DEBDHN Cc1ccnc(NCCCN2CCCO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000278323436 214091005 /nfs/dbraw/zinc/09/10/05/214091005.db2.gz ZBXRJDKLXZQAPN-ZDUSSCGKSA-N 0 3 308.382 2.211 20 5 DEBDHN Cn1cc([C@@H](O)CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000278715065 214347638 /nfs/dbraw/zinc/34/76/38/214347638.db2.gz LYKGGWCVWYKZPE-CVEARBPZSA-N 0 3 316.361 2.029 20 5 DEBDHN Cc1nn(C)c(N(C)CCCN(C)Cc2ccco2)c1[N+](=O)[O-] ZINC000286609753 219081947 /nfs/dbraw/zinc/08/19/47/219081947.db2.gz SZYORPADTGLMOX-UHFFFAOYSA-N 0 3 321.381 2.188 20 5 DEBDHN CCc1nn(C)c(NC[C@@H]2N(C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000447801571 529767708 /nfs/dbraw/zinc/76/77/08/529767708.db2.gz DDEWYCQHAIZAMM-LBPRGKRZSA-N 0 3 309.414 2.423 20 5 DEBDHN CCN1CCN(C[C@@H](C)CNc2ccc([N+](=O)[O-])s2)CC1 ZINC000615491028 362619645 /nfs/dbraw/zinc/61/96/45/362619645.db2.gz IRQHTGACRZQDEG-LBPRGKRZSA-N 0 3 312.439 2.342 20 5 DEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@H](C)[C@@H]1CN(C)CCO1 ZINC000615721964 362691357 /nfs/dbraw/zinc/69/13/57/362691357.db2.gz QQFUHXOGJBZWKA-QGRJPZFESA-N 0 3 319.405 2.307 20 5 DEBDHN CN(C)CC(C)(C)CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000286847246 219193691 /nfs/dbraw/zinc/19/36/91/219193691.db2.gz GEYGIUMAZMGMMS-UHFFFAOYSA-N 0 3 319.365 2.243 20 5 DEBDHN CN1CCC2(CCN(Cc3ccc(F)cc3[N+](=O)[O-])CC2)C1=O ZINC000595460712 358455506 /nfs/dbraw/zinc/45/55/06/358455506.db2.gz GFPXPHFZGQAPMF-UHFFFAOYSA-N 0 3 321.352 2.178 20 5 DEBDHN CC(C)N(CCN(C)C)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000255724703 282660225 /nfs/dbraw/zinc/66/02/25/282660225.db2.gz IIKCZDDJKOQOHX-HJWRWDBZSA-N 0 3 305.378 2.407 20 5 DEBDHN Cc1cc(C(=O)N2CC[C@H](N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000171451519 186161961 /nfs/dbraw/zinc/16/19/61/186161961.db2.gz WIYHPINKKCPTJO-AWEZNQCLSA-N 0 3 303.362 2.214 20 5 DEBDHN CC1(C)CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181876909 186213914 /nfs/dbraw/zinc/21/39/14/186213914.db2.gz IODJETVVZXPCOC-CYBMUJFWSA-N 0 3 308.378 2.457 20 5 DEBDHN COc1cc(CN[C@H]2CCC[C@@H]2CCO)c([N+](=O)[O-])cc1OC ZINC000189974939 186257700 /nfs/dbraw/zinc/25/77/00/186257700.db2.gz BNAQNNXXJLHUQZ-YPMHNXCESA-N 0 3 324.377 2.253 20 5 DEBDHN COc1cc(C[NH2+]CC2(CCO)CCCC2)c([N+](=O)[O-])cc1[O-] ZINC000072925946 354930518 /nfs/dbraw/zinc/93/05/18/354930518.db2.gz WOSMUHAAELKANC-UHFFFAOYSA-N 0 3 324.377 2.341 20 5 DEBDHN Cc1ccc(NC2CCN(CCN(C)C)CC2)c([N+](=O)[O-])c1 ZINC000080594986 355372693 /nfs/dbraw/zinc/37/26/93/355372693.db2.gz GWUBDDOYRYRWIN-UHFFFAOYSA-N 0 3 306.410 2.341 20 5 DEBDHN CCOc1ccc([C@H](C)N[C@@H]2CCN(C(C)=O)C2)cc1[N+](=O)[O-] ZINC000090447470 355561289 /nfs/dbraw/zinc/56/12/89/355561289.db2.gz AIMMUNJNQUTBJU-SMDDNHRTSA-N 0 3 321.377 2.265 20 5 DEBDHN CN(CCNc1ccc([N+](=O)[O-])cc1N1CCOC1=O)C1CC1 ZINC000091459688 355596812 /nfs/dbraw/zinc/59/68/12/355596812.db2.gz LHHIWNFZGXXKFS-UHFFFAOYSA-N 0 3 320.349 2.058 20 5 DEBDHN CCN1CCN(C[C@@H](C)CNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000091454472 355597492 /nfs/dbraw/zinc/59/74/92/355597492.db2.gz LQSOIOFRUCQIED-AWEZNQCLSA-N 0 3 306.410 2.280 20 5 DEBDHN O=c1ccc([N+](=O)[O-])cn1CCNC1(c2ccc(F)cc2)CC1 ZINC000090554162 355563515 /nfs/dbraw/zinc/56/35/15/355563515.db2.gz KHZIJLYFYWKMJD-UHFFFAOYSA-N 0 3 317.320 2.175 20 5 DEBDHN Cc1c(CC(=O)N[C@H]2CCN(CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000121810598 355798078 /nfs/dbraw/zinc/79/80/78/355798078.db2.gz AMHDODKULBYWFW-HNNXBMFYSA-N 0 3 317.389 2.046 20 5 DEBDHN CCNC(=O)CN[C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000129622741 355835587 /nfs/dbraw/zinc/83/55/87/355835587.db2.gz PYAOSXAURBYVNI-JSGCOSHPSA-N 0 3 305.378 2.032 20 5 DEBDHN COC1CCN(CCN[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000163723833 355973249 /nfs/dbraw/zinc/97/32/49/355973249.db2.gz MQFPOYFUFJSVKE-ZDUSSCGKSA-N 0 3 307.394 2.356 20 5 DEBDHN CN(CCCOc1ccc([N+](=O)[O-])cc1)CCc1cnccn1 ZINC000271328812 356353387 /nfs/dbraw/zinc/35/33/87/356353387.db2.gz LHTLTGKCVSOSNT-UHFFFAOYSA-N 0 3 316.361 2.328 20 5 DEBDHN Cc1cc(Cc2noc([C@@H]3CCN(C)C3)n2)ccc1[N+](=O)[O-] ZINC000350159967 356509858 /nfs/dbraw/zinc/50/98/58/356509858.db2.gz GVQJTFQNTROVRF-GFCCVEGCSA-N 0 3 302.334 2.296 20 5 DEBDHN CCOc1cc(CN2CCC[C@H](CC(N)=O)C2)ccc1[N+](=O)[O-] ZINC000276940668 213190895 /nfs/dbraw/zinc/19/08/95/213190895.db2.gz SCFITPLMKOICJT-GFCCVEGCSA-N 0 3 321.377 2.081 20 5 DEBDHN CCN1CCCC[C@@H]1CNc1nccc(C(=O)OC)c1[N+](=O)[O-] ZINC000590578235 357560543 /nfs/dbraw/zinc/56/05/43/357560543.db2.gz NFJPFHHEQBMXEV-LLVKDONJSA-N 0 3 322.365 2.063 20 5 DEBDHN O=C1NCC[C@@H]1CCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000590605783 357566495 /nfs/dbraw/zinc/56/64/95/357566495.db2.gz NTQBXPJDFSAILW-CYBMUJFWSA-N 0 3 303.362 2.085 20 5 DEBDHN CCO[C@@H]1C[C@H](NCc2c([N+](=O)[O-])ncn2C)C12CCCC2 ZINC000590739510 357595937 /nfs/dbraw/zinc/59/59/37/357595937.db2.gz OQGTUIXDRBOENO-QWHCGFSZSA-N 0 3 308.382 2.156 20 5 DEBDHN C[C@H]1C[C@@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)CS1 ZINC000591263776 357696434 /nfs/dbraw/zinc/69/64/34/357696434.db2.gz MATZXUPLLIURFA-GXSJLCMTSA-N 0 3 310.375 2.350 20 5 DEBDHN CC(C)[C@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CCN1 ZINC000592543823 357900560 /nfs/dbraw/zinc/90/05/60/357900560.db2.gz NPMBVJPCOBREDZ-LLVKDONJSA-N 0 3 311.769 2.318 20 5 DEBDHN CN(CCN1CCCCC1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000593883538 358163859 /nfs/dbraw/zinc/16/38/59/358163859.db2.gz OJLLCZGDDJIINS-UHFFFAOYSA-N 0 3 309.341 2.292 20 5 DEBDHN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594197370 358221864 /nfs/dbraw/zinc/22/18/64/358221864.db2.gz NHYGGXXIXCUFMG-CVEARBPZSA-N 0 3 317.389 2.270 20 5 DEBDHN CCc1nn(C)c(N[C@@H]2CCCN3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594598654 358301995 /nfs/dbraw/zinc/30/19/95/358301995.db2.gz HFPFRROYYXKMMF-CHWSQXEVSA-N 0 3 307.398 2.320 20 5 DEBDHN O=[N+]([O-])c1ccc(CNC2CCN([C@H]3CCOC3)CC2)c(F)c1 ZINC000594992587 358375458 /nfs/dbraw/zinc/37/54/58/358375458.db2.gz GZCQHVAFOOHYMP-HNNXBMFYSA-N 0 3 323.368 2.077 20 5 DEBDHN CCn1cnnc1CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595019891 358379570 /nfs/dbraw/zinc/37/95/70/358379570.db2.gz RVGXOGDZTBWYOA-NSHDSACASA-N 0 3 319.365 2.108 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@]1(OC)CCOC1 ZINC000595034278 358381450 /nfs/dbraw/zinc/38/14/50/358381450.db2.gz UGBGGYKYDASISN-NHYWBVRUSA-N 0 3 310.350 2.060 20 5 DEBDHN C[C@@H](CO)[C@@H]1CCCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000595674527 358518605 /nfs/dbraw/zinc/51/86/05/358518605.db2.gz LDMYGXUISFWVNM-KBPBESRZSA-N 0 3 308.378 2.457 20 5 DEBDHN C[C@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])[C@@H]1CCO ZINC000595703599 358528137 /nfs/dbraw/zinc/52/81/37/358528137.db2.gz UQIDVHBUGIHGIR-UONOGXRCSA-N 0 3 308.378 2.457 20 5 DEBDHN CCOc1cccc(NCCCN2CCC(O)CC2)c1[N+](=O)[O-] ZINC000596085249 358606910 /nfs/dbraw/zinc/60/69/10/358606910.db2.gz KVZXUSGBHCXGLV-UHFFFAOYSA-N 0 3 323.393 2.252 20 5 DEBDHN C[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000596241974 358650308 /nfs/dbraw/zinc/65/03/08/358650308.db2.gz ZNBRPAGMJSYYCE-NSHDSACASA-N 0 3 306.366 2.006 20 5 DEBDHN C[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000596241974 358650311 /nfs/dbraw/zinc/65/03/11/358650311.db2.gz ZNBRPAGMJSYYCE-NSHDSACASA-N 0 3 306.366 2.006 20 5 DEBDHN CN(C/C=C\c1ccccc1[N+](=O)[O-])C1(CO)CCOCC1 ZINC000597252939 358870548 /nfs/dbraw/zinc/87/05/48/358870548.db2.gz XCBMTHYEHSBQAS-XQRVVYSFSA-N 0 3 306.362 2.081 20 5 DEBDHN CN1CC[C@]2(C1)CCCN(C(=O)c1cccc([N+](=O)[O-])c1)C2 ZINC000597715598 358986455 /nfs/dbraw/zinc/98/64/55/358986455.db2.gz NLRGBPLIHJSGLV-INIZCTEOSA-N 0 3 303.362 2.153 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@]2(CCN(C)C2)C1 ZINC000597717077 358987366 /nfs/dbraw/zinc/98/73/66/358987366.db2.gz YBOUOFQSSZDEDU-QGZVFWFLSA-N 0 3 317.389 2.461 20 5 DEBDHN CN1CC[C@]2(C1)CCCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)C2 ZINC000597716707 358987738 /nfs/dbraw/zinc/98/77/38/358987738.db2.gz SEGRQBRRMRQUDM-INIZCTEOSA-N 0 3 321.352 2.292 20 5 DEBDHN O=[N+]([O-])c1cc(CNC[C@H]2CCCN2CC(F)F)cs1 ZINC000598988397 359376816 /nfs/dbraw/zinc/37/68/16/359376816.db2.gz RFLCRFKURJPACR-SNVBAGLBSA-N 0 3 305.350 2.475 20 5 DEBDHN COc1cc(CNC[C@@H]2CCCC[N@H+](C)C2)c([N+](=O)[O-])cc1[O-] ZINC000598994020 359379191 /nfs/dbraw/zinc/37/91/91/359379191.db2.gz FULLAYVYWZOYQO-LBPRGKRZSA-N 0 3 323.393 2.131 20 5 DEBDHN COc1cc(CNC[C@@H]2CCCC[N@@H+](C)C2)c([N+](=O)[O-])cc1[O-] ZINC000598994020 359379195 /nfs/dbraw/zinc/37/91/95/359379195.db2.gz FULLAYVYWZOYQO-LBPRGKRZSA-N 0 3 323.393 2.131 20 5 DEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000449315495 240351858 /nfs/dbraw/zinc/35/18/58/240351858.db2.gz VLBNGUXYHKEEMW-XNRPHZJLSA-N 0 3 317.389 2.269 20 5 DEBDHN CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)C1CCN(C)CC1 ZINC000599985376 359629542 /nfs/dbraw/zinc/62/95/42/359629542.db2.gz DGJYUTNIXXXQLS-UHFFFAOYSA-N 0 3 305.378 2.080 20 5 DEBDHN CC1(CO)CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000186952567 200038106 /nfs/dbraw/zinc/03/81/06/200038106.db2.gz IUXFZAYYXYSBIZ-UHFFFAOYSA-N 0 3 308.378 2.458 20 5 DEBDHN O=C(c1c(F)cccc1[N+](=O)[O-])N1CCC[C@@H](N2CCCC2)C1 ZINC000601123389 359930375 /nfs/dbraw/zinc/93/03/75/359930375.db2.gz BMILVCRBLISQQX-GFCCVEGCSA-N 0 3 321.352 2.434 20 5 DEBDHN CC(C)[C@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)CCN1C ZINC000601262572 359986280 /nfs/dbraw/zinc/98/62/80/359986280.db2.gz MGFJQQYXQTYMBB-OAHLLOKOSA-N 0 3 315.377 2.314 20 5 DEBDHN COC(=O)c1ccc(CNCCc2ccccc2[N+](=O)[O-])n1C ZINC000602011701 360239146 /nfs/dbraw/zinc/23/91/46/360239146.db2.gz POUNLEYOTKTEHV-UHFFFAOYSA-N 0 3 317.345 2.052 20 5 DEBDHN CN(CC(=O)NCCc1ccccc1[N+](=O)[O-])CC(C)(C)C ZINC000602107536 360267045 /nfs/dbraw/zinc/26/70/45/360267045.db2.gz GQICJJJDRYLMCZ-UHFFFAOYSA-N 0 3 307.394 2.231 20 5 DEBDHN CNC(=O)[C@]1(C)CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000281202641 216150816 /nfs/dbraw/zinc/15/08/16/216150816.db2.gz SXPGZSLSJFRDRY-BIENSFFJSA-N 0 3 303.362 2.066 20 5 DEBDHN COC[C@H](O)CCNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602578361 360441022 /nfs/dbraw/zinc/44/10/22/360441022.db2.gz DOTZRGYYVGUNFR-LLVKDONJSA-N 0 3 322.283 2.101 20 5 DEBDHN COc1ccc(CN[C@H](C)C[C@H]2CCCC(=O)N2)cc1[N+](=O)[O-] ZINC000602529017 360418720 /nfs/dbraw/zinc/41/87/20/360418720.db2.gz OFBVBASKZKXLFK-DGCLKSJQSA-N 0 3 321.377 2.140 20 5 DEBDHN C[C@@H]1COCC[C@H]1CNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602653040 360476940 /nfs/dbraw/zinc/47/69/40/360476940.db2.gz GZIBICPEBBLMIF-MNOVXSKESA-N 0 3 305.334 2.498 20 5 DEBDHN C[C@@H]1OCC[C@H]1CN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000602763867 360541605 /nfs/dbraw/zinc/54/16/05/360541605.db2.gz TZYGBKCTMMHVDS-KBPBESRZSA-N 0 3 305.378 2.142 20 5 DEBDHN CC1(F)CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000602992183 360659524 /nfs/dbraw/zinc/65/95/24/360659524.db2.gz AFHKPSLYBYYYMZ-CYBMUJFWSA-N 0 3 312.341 2.159 20 5 DEBDHN CN(CCCN(C)c1ccc([N+](=O)[O-])cn1)Cc1ccncc1 ZINC000603399017 360818074 /nfs/dbraw/zinc/81/80/74/360818074.db2.gz DYANVJBRYUZRBS-UHFFFAOYSA-N 0 3 315.377 2.343 20 5 DEBDHN O=[N+]([O-])c1ccc(NC[C@H]2CSCCN2)c2ccncc21 ZINC000603420704 360827040 /nfs/dbraw/zinc/82/70/40/360827040.db2.gz WXBAOTKJVJSCCM-JTQLQIEISA-N 0 3 304.375 2.260 20 5 DEBDHN CC1(C)C[C@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000611084723 361524362 /nfs/dbraw/zinc/52/43/62/361524362.db2.gz NWTUBVSPIOFWBJ-GFCCVEGCSA-N 0 3 322.361 2.413 20 5 DEBDHN C[C@@H]1C[C@@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000611278718 361569747 /nfs/dbraw/zinc/56/97/47/361569747.db2.gz PZHYVHBQIQCNDD-PWSUYJOCSA-N 0 3 308.334 2.023 20 5 DEBDHN CNC(=O)C[C@H](C)NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000449602245 240751124 /nfs/dbraw/zinc/75/11/24/240751124.db2.gz OEIKACCXIJXSHL-NSHDSACASA-N 0 3 317.345 2.469 20 5 DEBDHN O=C1NCCCC[C@@H]1N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545472 243096604 /nfs/dbraw/zinc/09/66/04/243096604.db2.gz HMOQYBVIJBSECU-HOCLYGCPSA-N 0 3 317.389 2.443 20 5 DEBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H](N2CCCCC2)C1 ZINC000264611937 204027221 /nfs/dbraw/zinc/02/72/21/204027221.db2.gz PSZVOOYEEWWUPG-INIZCTEOSA-N 0 3 317.389 2.224 20 5 DEBDHN CN(C)[C@@H]1CCCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000264620727 204033412 /nfs/dbraw/zinc/03/34/12/204033412.db2.gz PUROGWBOPXPODG-GFCCVEGCSA-N 0 3 316.361 2.242 20 5 DEBDHN CC[C@H]1CCCCN1CCNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000264939822 204285972 /nfs/dbraw/zinc/28/59/72/204285972.db2.gz HXUJBMLXPCNMDZ-ZDUSSCGKSA-N 0 3 320.393 2.370 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC2CCN(C3CC3)CC2)c1 ZINC000266066267 205071169 /nfs/dbraw/zinc/07/11/69/205071169.db2.gz WKKAQJQATOHSFB-UHFFFAOYSA-N 0 3 303.362 2.260 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N(CCN(C)C)C(C)C)c1 ZINC000282794586 217256709 /nfs/dbraw/zinc/25/67/09/217256709.db2.gz HOHVJOVQWNXFHC-UHFFFAOYSA-N 0 3 323.393 2.406 20 5 DEBDHN CCN(CC)Cc1cccc(NC(=O)c2n[nH]cc2[N+](=O)[O-])c1 ZINC000159841344 197368009 /nfs/dbraw/zinc/36/80/09/197368009.db2.gz LTCNMGFXLIHCDG-UHFFFAOYSA-N 0 3 317.349 2.412 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H]1CCCN1C ZINC000268017650 206398971 /nfs/dbraw/zinc/39/89/71/206398971.db2.gz YBKYDBHVFURCGY-GFCCVEGCSA-N 0 3 306.366 2.427 20 5 DEBDHN CN(CCN(C)C1CC1)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000492730476 249125619 /nfs/dbraw/zinc/12/56/19/249125619.db2.gz BRNRZTARZFFIOG-YHYXMXQVSA-N 0 3 303.362 2.161 20 5 DEBDHN CN(C)C[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000104413259 194006890 /nfs/dbraw/zinc/00/68/90/194006890.db2.gz RXGJKLSIDDOTDR-GFCCVEGCSA-N 0 3 309.341 2.290 20 5 DEBDHN CCN1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000110995093 194378508 /nfs/dbraw/zinc/37/85/08/194378508.db2.gz CKAIARQQNXYCPC-LBPRGKRZSA-N 0 3 309.341 2.338 20 5 DEBDHN CC1(C)CC[C@H]1N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000554522957 291767735 /nfs/dbraw/zinc/76/77/35/291767735.db2.gz SIKHQZUALSBBSI-ZIAGYGMSSA-N 0 3 303.362 2.478 20 5 DEBDHN C[C@H](CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)N(C)C1CC1 ZINC000057717945 184049377 /nfs/dbraw/zinc/04/93/77/184049377.db2.gz GBESNQZFSJRAIH-SBKJXLNCSA-N 0 3 303.362 2.207 20 5 DEBDHN CN1CCC[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000063527587 184285114 /nfs/dbraw/zinc/28/51/14/184285114.db2.gz HYQFQPPUCKLHRY-INIZCTEOSA-N 0 3 303.362 2.153 20 5 DEBDHN Cc1cc(C(=O)N2CCCC[C@@H]2CN(C)C)cc([N+](=O)[O-])c1 ZINC000119930581 195064579 /nfs/dbraw/zinc/06/45/79/195064579.db2.gz FLQIWWOOINQCLR-CQSZACIVSA-N 0 3 305.378 2.460 20 5 DEBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@@H](CCO)c2ccccc2)c1 ZINC000271707029 285156914 /nfs/dbraw/zinc/15/69/14/285156914.db2.gz UNQAUPXBWKPBOS-DLBZAZTESA-N 0 3 316.357 2.342 20 5 DEBDHN Cc1cc(C(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000157027887 197156349 /nfs/dbraw/zinc/15/63/49/197156349.db2.gz DMUUWAMVFUIZTH-GDBMZVCRSA-N 0 3 317.389 2.460 20 5 DEBDHN Cc1c(CC(=O)N2CCCC[C@@H]2CN(C)C)cccc1[N+](=O)[O-] ZINC000120431453 195165296 /nfs/dbraw/zinc/16/52/96/195165296.db2.gz MGRXHUINAIPNLV-OAHLLOKOSA-N 0 3 319.405 2.388 20 5 DEBDHN COC(=O)CC1(NCc2cccc([N+](=O)[O-])c2C)CCOCC1 ZINC000120437587 195166927 /nfs/dbraw/zinc/16/69/27/195166927.db2.gz RMKGVJIHEGZZIT-UHFFFAOYSA-N 0 3 322.361 2.105 20 5 DEBDHN Cc1c(C(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000120640848 195207666 /nfs/dbraw/zinc/20/76/66/195207666.db2.gz IEBFBVKYRNIUBC-FZMZJTMJSA-N 0 3 305.378 2.315 20 5 DEBDHN CNc1ccc(C(=O)N[C@H](C)C2=CCN(C)CC2)cc1[N+](=O)[O-] ZINC000543754382 285316467 /nfs/dbraw/zinc/31/64/67/285316467.db2.gz NHAKXMAJXZOPOR-LLVKDONJSA-N 0 3 318.377 2.017 20 5 DEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCC2CCCC2)cc1 ZINC000561383618 291960880 /nfs/dbraw/zinc/96/08/80/291960880.db2.gz SBKDQICTFAQGHP-UHFFFAOYSA-N 0 3 312.391 2.148 20 5 DEBDHN COC(=O)C1=C(C)O[C@H](CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000296859519 533270307 /nfs/dbraw/zinc/27/03/07/533270307.db2.gz YTYYSQJTEFFRRJ-HZMBPMFUSA-N 0 3 320.345 2.481 20 5 DEBDHN C[C@@H](NC1CC1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000294941719 533332244 /nfs/dbraw/zinc/33/22/44/533332244.db2.gz BTJUGRUGSNAICJ-LLVKDONJSA-N 0 3 303.362 2.226 20 5 DEBDHN C[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CCN1C ZINC000341195827 132631519 /nfs/dbraw/zinc/63/15/19/132631519.db2.gz IJLVEKQLFNFPCF-OCCSQVGLSA-N 0 3 320.393 2.219 20 5 DEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@]2(CNC(=O)C2)C1 ZINC000362407027 133228573 /nfs/dbraw/zinc/22/85/73/133228573.db2.gz YSPHWMABEWQLIO-WBMJQRKESA-N 0 3 303.362 2.258 20 5 DEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCCC2CC2)cc1 ZINC000562994886 292022997 /nfs/dbraw/zinc/02/29/97/292022997.db2.gz FPFVWYBFAGYWBN-UHFFFAOYSA-N 0 3 312.391 2.148 20 5 DEBDHN CS[C@H]1CN(c2nc(C)ccc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000547708058 285622962 /nfs/dbraw/zinc/62/29/62/285622962.db2.gz UQLHHBSVEATFLK-KGLIPLIRSA-N 0 3 322.434 2.314 20 5 DEBDHN C[C@@H](C(=O)N(C)[C@H]1CCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000564717995 292106823 /nfs/dbraw/zinc/10/68/23/292106823.db2.gz DRFIKZVCUFTSKU-DOMZBBRYSA-N 0 3 305.378 2.251 20 5 DEBDHN C[C@@H]1CN(CCCCNc2ncc([N+](=O)[O-])s2)C[C@H](C)O1 ZINC000190334443 145040394 /nfs/dbraw/zinc/04/03/94/145040394.db2.gz VCWHWGWJHOFLRE-PHIMTYICSA-N 0 3 314.411 2.353 20 5 DEBDHN Cc1cccc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000549799181 285857327 /nfs/dbraw/zinc/85/73/27/285857327.db2.gz ALNFPCHLSVFGPK-MRXNPFEDSA-N 0 3 316.357 2.433 20 5 DEBDHN O=C(NC[C@@H]1NCCc2ccccc21)c1csc([N+](=O)[O-])c1 ZINC000262463012 145285926 /nfs/dbraw/zinc/28/59/26/145285926.db2.gz ISDMIBRAVSTKCN-ZDUSSCGKSA-N 0 3 317.370 2.273 20 5 DEBDHN Cc1ccc([C@H](C)NC[C@H]2CN3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000321505607 145377214 /nfs/dbraw/zinc/37/72/14/145377214.db2.gz BGSRVDBMRWURSV-BPUTZDHNSA-N 0 3 319.405 2.417 20 5 DEBDHN C[C@H](CN(C)C)NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000346132854 146021043 /nfs/dbraw/zinc/02/10/43/146021043.db2.gz IXERCYRAPNMBJO-MNOVXSKESA-N 0 3 311.407 2.142 20 5 DEBDHN C[C@H]1C[C@@H]1N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000346158916 146026807 /nfs/dbraw/zinc/02/68/07/146026807.db2.gz CRUYXYBRUXJBMT-XEZPLFJOSA-N 0 3 317.389 2.397 20 5 DEBDHN C[C@@H]1CCN(C)CCN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000346759811 146138014 /nfs/dbraw/zinc/13/80/14/146138014.db2.gz IRLFIBFTRLCVII-SNVBAGLBSA-N 0 3 310.329 2.292 20 5 DEBDHN O=[N+]([O-])c1ccc2[nH]c(CN[C@@H]3CCC[C@@H]3CCO)nc2c1 ZINC000348147503 146223919 /nfs/dbraw/zinc/22/39/19/146223919.db2.gz GFKSJHOXHYQCAS-ZYHUDNBSSA-N 0 3 304.350 2.112 20 5 DEBDHN O=[N+]([O-])c1ccc2[nH]c(CN[C@@H]3CCC[C@H]3CCO)nc2c1 ZINC000348147489 146223963 /nfs/dbraw/zinc/22/39/63/146223963.db2.gz GFKSJHOXHYQCAS-CMPLNLGQSA-N 0 3 304.350 2.112 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](C)[C@@H]1CCCOC1 ZINC000348148597 146224705 /nfs/dbraw/zinc/22/47/05/146224705.db2.gz SRFYJSQSCWBVCK-CHWSQXEVSA-N 0 3 321.377 2.246 20 5 DEBDHN CCn1c(C)nc([N+](=O)[O-])c1N(C)C1CCN(C(C)C)CC1 ZINC000360891876 147404904 /nfs/dbraw/zinc/40/49/04/147404904.db2.gz SBZUFEKUEGBLTJ-UHFFFAOYSA-N 0 3 309.414 2.429 20 5 DEBDHN COc1ccc(C(=O)NC[C@H](CC(C)C)N(C)C)cc1[N+](=O)[O-] ZINC000074137111 401731186 /nfs/dbraw/zinc/73/11/86/401731186.db2.gz GGDMKCKMJKDPAZ-ZDUSSCGKSA-N 0 3 323.393 2.310 20 5 DEBDHN C[C@@H](CN1CCCCC1)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000077494367 401817492 /nfs/dbraw/zinc/81/74/92/401817492.db2.gz VSCQIRRJEQRWBU-NSHDSACASA-N 0 3 309.341 2.338 20 5 DEBDHN O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@H](N2CCCC2)C1 ZINC000087259989 401929643 /nfs/dbraw/zinc/92/96/43/401929643.db2.gz MPLXIVSJIBVOGW-INIZCTEOSA-N 0 3 317.389 2.224 20 5 DEBDHN CN(C)CCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000051468206 402034743 /nfs/dbraw/zinc/03/47/43/402034743.db2.gz FYQIZUVRZUZRDG-UHFFFAOYSA-N 0 3 320.374 2.010 20 5 DEBDHN O=[N+]([O-])c1cccc(OCCN2CC[C@H]3OCCC[C@@H]3C2)c1 ZINC000152928850 402117425 /nfs/dbraw/zinc/11/74/25/402117425.db2.gz ZBTMJZCZTYGDKI-CZUORRHYSA-N 0 3 306.362 2.475 20 5 DEBDHN C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)N1CCC(C)CC1 ZINC000067273240 402155765 /nfs/dbraw/zinc/15/57/65/402155765.db2.gz ZOKRQIHLAUILPV-AWEZNQCLSA-N 0 3 319.405 2.374 20 5 DEBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCN(C)C1CC1 ZINC000067701467 402168575 /nfs/dbraw/zinc/16/85/75/402168575.db2.gz KXUVBPNKOCWIRV-NSHDSACASA-N 0 3 323.418 2.286 20 5 DEBDHN Cc1ccc(CN[C@@H](C)CCN2CCOCC2)cc1[N+](=O)[O-] ZINC000124206011 402168845 /nfs/dbraw/zinc/16/88/45/402168845.db2.gz VJZAUIQHWVRTKG-AWEZNQCLSA-N 0 3 307.394 2.104 20 5 DEBDHN CC1CCN(CCNC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000067725970 402170431 /nfs/dbraw/zinc/17/04/31/402170431.db2.gz WNSHFWIDUNNKIN-UHFFFAOYSA-N 0 3 320.393 2.126 20 5 DEBDHN O=[N+]([O-])c1ccc(CN2CCC[C@H](CN3CCOCC3)C2)cc1 ZINC000069855785 402247681 /nfs/dbraw/zinc/24/76/81/402247681.db2.gz JJSACKZICBEYRM-MRXNPFEDSA-N 0 3 319.405 2.139 20 5 DEBDHN COCCNCCNc1ccc(Br)cc1[N+](=O)[O-] ZINC000216407886 402288649 /nfs/dbraw/zinc/28/86/49/402288649.db2.gz IZARIJJARFNXOP-UHFFFAOYSA-N 0 3 318.171 2.005 20 5 DEBDHN COc1ccc(CN2CCN(C)C[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000184741594 402296745 /nfs/dbraw/zinc/29/67/45/402296745.db2.gz YLFUMHXGTQCALG-OAHLLOKOSA-N 0 3 307.394 2.375 20 5 DEBDHN CCN1CCN([C@H](C)CNc2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000185179809 402330919 /nfs/dbraw/zinc/33/09/19/402330919.db2.gz FNNHLFJYAHIPHI-CYBMUJFWSA-N 0 3 322.409 2.041 20 5 DEBDHN Cc1ccc([C@@H](C)NC(=O)C[C@H]2CSCCN2)cc1[N+](=O)[O-] ZINC000237634568 402415836 /nfs/dbraw/zinc/41/58/36/402415836.db2.gz HXJJVQRWFDXRFF-YPMHNXCESA-N 0 3 323.418 2.176 20 5 DEBDHN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC[C@@H]1CN1CCCC1 ZINC000170684453 402514647 /nfs/dbraw/zinc/51/46/47/402514647.db2.gz VJOWDQXLPDNDGA-CYBMUJFWSA-N 0 3 321.352 2.434 20 5 DEBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000178177466 402468349 /nfs/dbraw/zinc/46/83/49/402468349.db2.gz UVLFMLJJYJIBRS-VXGBXAGGSA-N 0 3 320.393 2.027 20 5 DEBDHN COc1ccc(-c2ccc(CN[C@@H](C)CO)o2)c([N+](=O)[O-])c1 ZINC000338710488 404491886 /nfs/dbraw/zinc/49/18/86/404491886.db2.gz IIRAJUFUBPQVSN-JTQLQIEISA-N 0 3 306.318 2.334 20 5 DEBDHN Cc1cc(C(=O)N(C)CC2(N(C)C)CCC2)c(N)c([N+](=O)[O-])c1 ZINC000189526597 402543347 /nfs/dbraw/zinc/54/33/47/402543347.db2.gz ANWHUYRJYXDWPG-UHFFFAOYSA-N 0 3 320.393 2.042 20 5 DEBDHN C[C@@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CCCO1 ZINC000170774701 402523808 /nfs/dbraw/zinc/52/38/08/402523808.db2.gz JVTUOKUYNBNNHI-GFCCVEGCSA-N 0 3 307.350 2.034 20 5 DEBDHN CN(CC1CCN(C)CC1)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000171737679 402617012 /nfs/dbraw/zinc/61/70/12/402617012.db2.gz IGNCZFPCGCCSHF-UHFFFAOYSA-N 0 3 320.393 2.078 20 5 DEBDHN COc1cc(C(=O)N2CCC[C@@H](N(C)C)C2)cc([N+](=O)[O-])c1C ZINC000191102867 402641917 /nfs/dbraw/zinc/64/19/17/402641917.db2.gz PDXAKAAIRYYZRJ-CYBMUJFWSA-N 0 3 321.377 2.078 20 5 DEBDHN CCN(CCNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1)C1CC1 ZINC000191194314 402649847 /nfs/dbraw/zinc/64/98/47/402649847.db2.gz OSKFSGYQYMLMAR-UHFFFAOYSA-N 0 3 321.377 2.126 20 5 DEBDHN CN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(C)C1 ZINC000255568200 402691216 /nfs/dbraw/zinc/69/12/16/402691216.db2.gz YMKHTTIILQEAFI-YYRKOSNBSA-N 0 3 303.362 2.161 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@@]1(O)CCSC1)CCC2 ZINC000192927519 402757174 /nfs/dbraw/zinc/75/71/74/402757174.db2.gz CYWQQZSWOYYLGX-CABCVRRESA-N 0 3 308.403 2.430 20 5 DEBDHN COCC[C@](C)(O)CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000183780178 402797061 /nfs/dbraw/zinc/79/70/61/402797061.db2.gz QEKWXWPWBPBSCO-ZDUSSCGKSA-N 0 3 302.758 2.125 20 5 DEBDHN CN1CC[C@H]2CCN(C(=O)CCc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000272562812 402953654 /nfs/dbraw/zinc/95/36/54/402953654.db2.gz ULGFHNGZPFASRH-HOCLYGCPSA-N 0 3 317.389 2.080 20 5 DEBDHN C[C@H](N[C@H]1CCC[C@@H]1CCO)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000279371724 402935932 /nfs/dbraw/zinc/93/59/32/402935932.db2.gz XCLYAXYKOVVDGB-ZOWXZIJZSA-N 0 3 321.377 2.063 20 5 DEBDHN O=[N+]([O-])c1ccn(CCN2CC[C@@H](c3ccccc3F)C2)n1 ZINC000267077787 403013423 /nfs/dbraw/zinc/01/34/23/403013423.db2.gz MIYFREFJUPMLFV-GFCCVEGCSA-N 0 3 304.325 2.420 20 5 DEBDHN Cc1cccc(C(=O)NC[C@]2(N(C)C)CCSC2)c1[N+](=O)[O-] ZINC000267099289 403015474 /nfs/dbraw/zinc/01/54/74/403015474.db2.gz KJRVQJFMQQHDSS-OAHLLOKOSA-N 0 3 323.418 2.070 20 5 DEBDHN CN(C)[C@H](CNc1ncc([N+](=O)[O-])cn1)c1cccc(F)c1 ZINC000273245857 402986608 /nfs/dbraw/zinc/98/66/08/402986608.db2.gz ZPBJAYHGTZPIHI-CYBMUJFWSA-N 0 3 305.313 2.239 20 5 DEBDHN Cc1ccc(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000268247775 403066534 /nfs/dbraw/zinc/06/65/34/403066534.db2.gz PZFKWNVLYVKWKA-RISCZKNCSA-N 0 3 303.362 2.116 20 5 DEBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000268294009 403070905 /nfs/dbraw/zinc/07/09/05/403070905.db2.gz ZVNXOGNCXDUACE-BLLLJJGKSA-N 0 3 317.389 2.126 20 5 DEBDHN Cc1cc(OCC(=O)N(CCN(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000281803998 403093677 /nfs/dbraw/zinc/09/36/77/403093677.db2.gz VMNLMWYTKRESHU-UHFFFAOYSA-N 0 3 323.393 2.081 20 5 DEBDHN Cc1cc(N2CCC(NCc3ccccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000276073225 403143677 /nfs/dbraw/zinc/14/36/77/403143677.db2.gz SPGLAUQVWMAEPJ-UHFFFAOYSA-N 0 3 315.377 2.385 20 5 DEBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCCN1C1CC1 ZINC000277494917 403223676 /nfs/dbraw/zinc/22/36/76/403223676.db2.gz JRIBUACYBOYISM-INIZCTEOSA-N 0 3 317.389 2.270 20 5 DEBDHN C[C@@H](NCC1(N2CCOCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000277506295 403224691 /nfs/dbraw/zinc/22/46/91/403224691.db2.gz MWMJNXLEZYNQNN-CYBMUJFWSA-N 0 3 305.378 2.110 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCN2CC)c1 ZINC000283452876 403198516 /nfs/dbraw/zinc/19/85/16/403198516.db2.gz KZHHZFZYCYOQJX-LBPRGKRZSA-N 0 3 321.377 2.208 20 5 DEBDHN CC[C@@H](CO)N(CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000342668139 403302984 /nfs/dbraw/zinc/30/29/84/403302984.db2.gz WTPKBXQPJVFNLG-HNNXBMFYSA-N 0 3 318.377 2.064 20 5 DEBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H]1CC(=O)N(C)C1 ZINC000271178352 403273822 /nfs/dbraw/zinc/27/38/22/403273822.db2.gz VJRZGBXUEFZISO-NEPJUHHUSA-N 0 3 323.418 2.286 20 5 DEBDHN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NCc1csc([N+](=O)[O-])c1 ZINC000285500721 403312126 /nfs/dbraw/zinc/31/21/26/403312126.db2.gz NEUDRUAIFNJPAS-ZWNOBZJWSA-N 0 3 311.407 2.439 20 5 DEBDHN CCC[C@]1(NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCOC1 ZINC000285551881 403324317 /nfs/dbraw/zinc/32/43/17/403324317.db2.gz MJDYZRUGYYPBAA-INIZCTEOSA-N 0 3 321.377 2.391 20 5 DEBDHN CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@]2(CCN(C)C2)C1 ZINC000292222397 403325870 /nfs/dbraw/zinc/32/58/70/403325870.db2.gz IGDHHZWHHAMHKV-MRXNPFEDSA-N 0 3 303.362 2.329 20 5 DEBDHN Cc1c(CN2C[C@@H](N3CCOCC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000286024261 403432999 /nfs/dbraw/zinc/43/29/99/403432999.db2.gz QBIRKGPGFBJNJF-CJNGLKHVSA-N 0 3 319.405 2.198 20 5 DEBDHN CC(=O)N1CC[C@@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000332010279 403464262 /nfs/dbraw/zinc/46/42/62/403464262.db2.gz FNXWOZOORVCHSR-CZUORRHYSA-N 0 3 303.362 2.183 20 5 DEBDHN O=[N+]([O-])c1ccc2oc(CN[C@H]3CCC[C@H]3CCO)nc2c1 ZINC000286242940 403480056 /nfs/dbraw/zinc/48/00/56/403480056.db2.gz RWJGWFXFZZORKN-JQWIXIFHSA-N 0 3 305.334 2.377 20 5 DEBDHN CCN1CCN(CCNc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000286273841 403488010 /nfs/dbraw/zinc/48/80/10/403488010.db2.gz WSBAWJUJIFIEMM-UHFFFAOYSA-N 0 3 312.801 2.298 20 5 DEBDHN CNC(=O)CC[C@@H]1CCCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000286423576 403523297 /nfs/dbraw/zinc/52/32/97/403523297.db2.gz KRLFJCNXWNFABG-AWEZNQCLSA-N 0 3 305.378 2.476 20 5 DEBDHN CCC[C@@H](C)C(=O)NCCN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293768172 403558891 /nfs/dbraw/zinc/55/88/91/403558891.db2.gz RXNLJRSGTKIURF-VXGBXAGGSA-N 0 3 322.409 2.380 20 5 DEBDHN C[C@@H]1[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCCN1C ZINC000343470843 403604377 /nfs/dbraw/zinc/60/43/77/403604377.db2.gz YEDBAVSSYCVWRG-NOZJJQNGSA-N 0 3 311.769 2.461 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000293854667 403581516 /nfs/dbraw/zinc/58/15/16/403581516.db2.gz JYKBQQMGKOWCAW-INIZCTEOSA-N 0 3 303.362 2.071 20 5 DEBDHN CCN1CCN([C@@H](C)CNc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000301559031 403647209 /nfs/dbraw/zinc/64/72/09/403647209.db2.gz XKHDFAGZJYAITJ-ZDUSSCGKSA-N 0 3 322.409 2.041 20 5 DEBDHN CN1CCC[C@@]2(CCN(C(=O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000294122265 403653696 /nfs/dbraw/zinc/65/36/96/403653696.db2.gz LVTIQJBSKKVCIR-MRXNPFEDSA-N 0 3 303.362 2.153 20 5 DEBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000295118584 403765909 /nfs/dbraw/zinc/76/59/09/403765909.db2.gz MCBADTUPKFPQIZ-TVQRCGJNSA-N 0 3 323.780 2.461 20 5 DEBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000295142082 403772407 /nfs/dbraw/zinc/77/24/07/403772407.db2.gz ZRGKOUGCOXGAFO-CQSZACIVSA-N 0 3 321.421 2.459 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000295289135 403833517 /nfs/dbraw/zinc/83/35/17/403833517.db2.gz IMAOKJXHBHSRBD-LBPRGKRZSA-N 0 3 317.389 2.460 20 5 DEBDHN CCC[C@]1(CO)CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000288912092 403792227 /nfs/dbraw/zinc/79/22/27/403792227.db2.gz UFOSPRLKUADWOF-CVEARBPZSA-N 0 3 308.378 2.113 20 5 DEBDHN CO[C@@H](C)CN(C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000289262562 403887961 /nfs/dbraw/zinc/88/79/61/403887961.db2.gz FRIYPZPIPLAIJN-LBPRGKRZSA-N 0 3 318.377 2.462 20 5 DEBDHN Cc1ccc(CN[C@H](C2CC2)[C@@]2(CO)CCCO2)cc1[N+](=O)[O-] ZINC000354717267 403965705 /nfs/dbraw/zinc/96/57/05/403965705.db2.gz ARGPQMDEXWPHHN-SJORKVTESA-N 0 3 320.389 2.313 20 5 DEBDHN CC[C@@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)N(CC)CC ZINC000344233135 403996408 /nfs/dbraw/zinc/99/64/08/403996408.db2.gz SQIRMSYCRPYIRO-HNNXBMFYSA-N 0 3 322.409 2.243 20 5 DEBDHN CC1(C)C[C@H](O)CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000295978763 404036951 /nfs/dbraw/zinc/03/69/51/404036951.db2.gz JCKPBYJTXQBSOG-CABCVRRESA-N 0 3 308.378 2.111 20 5 DEBDHN CCCCOC1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000341579668 404047134 /nfs/dbraw/zinc/04/71/34/404047134.db2.gz FGZRPZNCRMNEMD-UHFFFAOYSA-N 0 3 323.393 2.038 20 5 DEBDHN Cc1cc(N2CCN([C@H]3CCCN(C)C3)CC2)ccc1[N+](=O)[O-] ZINC000369355748 404059917 /nfs/dbraw/zinc/05/99/17/404059917.db2.gz RYZRPPHEQBOSSQ-INIZCTEOSA-N 0 3 318.421 2.119 20 5 DEBDHN COc1ccc(OCCN2CCC[C@H](CO)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000412084197 404119157 /nfs/dbraw/zinc/11/91/57/404119157.db2.gz NOAPJNFABODCQL-QWHCGFSZSA-N 0 3 324.377 2.075 20 5 DEBDHN C[C@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCCOC1 ZINC000355178952 404262845 /nfs/dbraw/zinc/26/28/45/404262845.db2.gz PWMOLXVQEZUHSY-WDEREUQCSA-N 0 3 304.350 2.376 20 5 DEBDHN CO[C@@H]1C[C@@H](NCc2cc([N+](=O)[O-])cc3c2OCOC3)C1(C)C ZINC000344695450 404313152 /nfs/dbraw/zinc/31/31/52/404313152.db2.gz JKSMYPABCDMLOJ-ZIAGYGMSSA-N 0 3 322.361 2.364 20 5 DEBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000344696338 404313976 /nfs/dbraw/zinc/31/39/76/404313976.db2.gz TXXAOVGDZUYTOH-AWEZNQCLSA-N 0 3 305.378 2.445 20 5 DEBDHN COC[C@](C)(CC(=O)OC)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000350313044 404365673 /nfs/dbraw/zinc/36/56/73/404365673.db2.gz DYKHAROEVXVSLE-BVBGJJFLSA-N 0 3 322.361 2.166 20 5 DEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@H](O)COCC1CC1 ZINC000344860841 404410095 /nfs/dbraw/zinc/41/00/95/404410095.db2.gz NQLXYJFFCPCVOS-BNXPMYBGSA-N 0 3 320.389 2.375 20 5 DEBDHN C[C@@H](C(=O)N(CCN(C)C)C1CC1)c1ccc([N+](=O)[O-])cc1F ZINC000356296918 404431532 /nfs/dbraw/zinc/43/15/32/404431532.db2.gz MPWDHVQWTPAYCY-LLVKDONJSA-N 0 3 323.368 2.390 20 5 DEBDHN COc1ccc(NC(=O)N[C@H]2CCCN(C)[C@H]2C)cc1[N+](=O)[O-] ZINC000345118294 404559821 /nfs/dbraw/zinc/55/98/21/404559821.db2.gz VZAHGEBALBVXBH-JQWIXIFHSA-N 0 3 322.365 2.208 20 5 DEBDHN CS[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000342540945 404641874 /nfs/dbraw/zinc/64/18/74/404641874.db2.gz HFGFKZQORUVAOP-UONOGXRCSA-N 0 3 313.398 2.211 20 5 DEBDHN C[C@H](N[C@@H]1CCC[C@]1(C)CO)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000351492000 404605193 /nfs/dbraw/zinc/60/51/93/404605193.db2.gz ISCVEJIJJVSJGA-SGIREYDYSA-N 0 3 321.377 2.063 20 5 DEBDHN O=[N+]([O-])c1ccn(C2CCN(Cc3ccc(CO)cc3)CC2)n1 ZINC000365504138 404678164 /nfs/dbraw/zinc/67/81/64/404678164.db2.gz BESYZFUVIWNJOP-UHFFFAOYSA-N 0 3 316.361 2.121 20 5 DEBDHN C[C@@H]1CCCN(C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000330569672 404691214 /nfs/dbraw/zinc/69/12/14/404691214.db2.gz OAAPYRIJOSEBTQ-GFCCVEGCSA-N 0 3 322.409 2.174 20 5 DEBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000330572826 404691235 /nfs/dbraw/zinc/69/12/35/404691235.db2.gz ZAFCLJCYLVPYRB-ZDUSSCGKSA-N 0 3 319.405 2.326 20 5 DEBDHN CC(C)(C)[C@H]1NC(=O)CC[C@@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000353113875 404746112 /nfs/dbraw/zinc/74/61/12/404746112.db2.gz ASXKBNZCDCCZEW-ZFWWWQNUSA-N 0 3 305.378 2.378 20 5 DEBDHN C[C@@H](CN(C)C)NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000358513978 404764983 /nfs/dbraw/zinc/76/49/83/404764983.db2.gz ZMQRRDLBBFLTNC-LBPRGKRZSA-N 0 3 320.393 2.219 20 5 DEBDHN COCC1(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCC1 ZINC000361316164 405018671 /nfs/dbraw/zinc/01/86/71/405018671.db2.gz VEEDFMNQDJKKNB-CYBMUJFWSA-N 0 3 320.393 2.293 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC1(N(C)C)CC1 ZINC000416310073 405099476 /nfs/dbraw/zinc/09/94/76/405099476.db2.gz YMORERFKVOEQKY-UHFFFAOYSA-N 0 3 305.378 2.344 20 5 DEBDHN CCO[C@@H]1CCC[C@H]1N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000452018831 405128636 /nfs/dbraw/zinc/12/86/36/405128636.db2.gz RAOGAFUDCSPQSE-NILFDRSVSA-N 0 3 321.377 2.469 20 5 DEBDHN CN1C[C@@H]2CCCN(c3c4c(ccc3[N+](=O)[O-])NCC4)[C@@H]2C1 ZINC000425276414 405267224 /nfs/dbraw/zinc/26/72/24/405267224.db2.gz BWVUBTFAGYKILX-XHDPSFHLSA-N 0 3 302.378 2.093 20 5 DEBDHN CC(C)c1ccc(C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000452982882 405269701 /nfs/dbraw/zinc/26/97/01/405269701.db2.gz YHYQQAAQDDXGSK-XJKSGUPXSA-N 0 3 317.389 2.494 20 5 DEBDHN COCC(C)(C)N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000425356650 405279152 /nfs/dbraw/zinc/27/91/52/405279152.db2.gz WZNRVHAZSHQFLL-UHFFFAOYSA-N 0 3 307.394 2.137 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](c2nc[nH]n2)C1 ZINC000425359818 405280054 /nfs/dbraw/zinc/28/00/54/405280054.db2.gz SYTGRWIWHNKXSC-LLVKDONJSA-N 0 3 317.349 2.101 20 5 DEBDHN CO[C@@H]1C[C@@H](N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000439622375 405286793 /nfs/dbraw/zinc/28/67/93/405286793.db2.gz FRIGVJJRSIFCFD-ZLKJLUDKSA-N 0 3 321.377 2.325 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425627804 405308927 /nfs/dbraw/zinc/30/89/27/405308927.db2.gz WGVHDWYGBLSSFI-SWLSCSKDSA-N 0 3 318.377 2.461 20 5 DEBDHN CNC(=O)C[C@@H](C)N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000453351622 405291197 /nfs/dbraw/zinc/29/11/97/405291197.db2.gz GOHZXHQATHJCHW-QMTHXVAHSA-N 0 3 305.378 2.431 20 5 DEBDHN C[C@@H](NC(=O)N(C)C[C@H]1CCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000420824869 405391479 /nfs/dbraw/zinc/39/14/79/405391479.db2.gz RGCREPMFJAUASG-IUODEOHRSA-N 0 3 320.393 2.391 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000421501919 405521820 /nfs/dbraw/zinc/52/18/20/405521820.db2.gz DMXIOIQWIIBNRA-OCCSQVGLSA-N 0 3 305.378 2.424 20 5 DEBDHN CN(C[C@@H]1CCCN1C)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000493803337 405566055 /nfs/dbraw/zinc/56/60/55/405566055.db2.gz OFVANRCAZUEICG-VSGCLNPGSA-N 0 3 303.362 2.161 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000421760196 405633937 /nfs/dbraw/zinc/63/39/37/405633937.db2.gz FIOLZEFVYKYXTG-CYBMUJFWSA-N 0 3 305.378 2.378 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NC(C)(C)CN1CCCC1 ZINC000457038604 405665754 /nfs/dbraw/zinc/66/57/54/405665754.db2.gz CKGYXQSXYYYAOY-UHFFFAOYSA-N 0 3 321.377 2.208 20 5 DEBDHN Cc1ccc([C@H](C)NC(=O)[C@H]2C[C@@H](C)CCN2)cc1[N+](=O)[O-] ZINC000423280185 405747426 /nfs/dbraw/zinc/74/74/26/405747426.db2.gz SKMRMFKJUDJJJW-VHRBIJSZSA-N 0 3 305.378 2.469 20 5 DEBDHN C[C@@H]1CCN(CCNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000560097572 405768559 /nfs/dbraw/zinc/76/85/59/405768559.db2.gz WZXSJCACHUWTHJ-CYBMUJFWSA-N 0 3 319.405 2.330 20 5 DEBDHN CC(C)Oc1nc(N2CC[C@H](N3CC=CC3)C2)ccc1[N+](=O)[O-] ZINC000584182990 405844886 /nfs/dbraw/zinc/84/48/86/405844886.db2.gz RICCGUDIRIFRAD-ZDUSSCGKSA-N 0 3 318.377 2.228 20 5 DEBDHN COC(=O)Cc1ccc(N[C@H]2CCN(C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000450355066 405852808 /nfs/dbraw/zinc/85/28/08/405852808.db2.gz PLYXOTSZHXBSJN-YPMHNXCESA-N 0 3 321.377 2.205 20 5 DEBDHN Cc1c(CC(=O)NC[C@H](C)N2CCCC2)cccc1[N+](=O)[O-] ZINC000532683349 406093657 /nfs/dbraw/zinc/09/36/57/406093657.db2.gz RYOUXZCUSLNALQ-LBPRGKRZSA-N 0 3 305.378 2.046 20 5 DEBDHN CCc1nn(C)c(N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000488755662 406344545 /nfs/dbraw/zinc/34/45/45/406344545.db2.gz TUHQNGJHQPARSB-SGMGOOAPSA-N 0 3 321.425 2.057 20 5 DEBDHN CNc1ccc(C(=O)N(C)C[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000523741595 406435126 /nfs/dbraw/zinc/43/51/26/406435126.db2.gz SXRAGMJWSSRXIK-LBPRGKRZSA-N 0 3 320.393 2.050 20 5 DEBDHN CN(CCN1CCCC1)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000491447503 406594962 /nfs/dbraw/zinc/59/49/62/406594962.db2.gz CJZQHRKQSGJCBL-BQYQJAHWSA-N 0 3 303.362 2.162 20 5 DEBDHN CN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CN2CCC1CC2 ZINC000491799587 406726205 /nfs/dbraw/zinc/72/62/05/406726205.db2.gz VCLJRUUVAKUFBB-MOEXGYKKSA-N 0 3 315.373 2.161 20 5 DEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCc2ccc(F)cc2)c1 ZINC000555516251 406845441 /nfs/dbraw/zinc/84/54/41/406845441.db2.gz UDKJPTQEEDXWNZ-HNNXBMFYSA-N 0 3 320.320 2.263 20 5 DEBDHN COCCO[C@@H]1COCC[C@H]1N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000362714021 292598190 /nfs/dbraw/zinc/59/81/90/292598190.db2.gz CNGUQMSCOCHJHP-APHBMKBZSA-N 0 3 324.377 2.066 20 5 DEBDHN CN(C)CCN(Cc1ccccn1)c1ncc([N+](=O)[O-])cc1F ZINC000413203669 228291040 /nfs/dbraw/zinc/29/10/40/228291040.db2.gz NNUJOXCEPJKPHJ-UHFFFAOYSA-N 0 3 319.340 2.092 20 5 DEBDHN Cc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)N(C)C)cc1 ZINC000299307095 229040970 /nfs/dbraw/zinc/04/09/70/229040970.db2.gz CRUDIXOPRXKMDC-CQSZACIVSA-N 0 3 316.361 2.264 20 5 DEBDHN CN(C)[C@@H](CNc1ncc([N+](=O)[O-])cn1)c1cccc(F)c1 ZINC000273245861 268747921 /nfs/dbraw/zinc/74/79/21/268747921.db2.gz ZPBJAYHGTZPIHI-ZDUSSCGKSA-N 0 3 305.313 2.239 20 5 DEBDHN C[C@@H]1OCC[C@]1(O)CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000278695858 274422959 /nfs/dbraw/zinc/42/29/59/274422959.db2.gz HFQIZQQXVBPPEZ-KCTSRDHCSA-N 0 3 320.389 2.447 20 5 DEBDHN O=C1[C@H](N2CC[C@@H](C3CC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000344022125 275029716 /nfs/dbraw/zinc/02/97/16/275029716.db2.gz CVTNTBPRCSTVQE-CZUORRHYSA-N 0 3 315.373 2.432 20 5 DEBDHN CCN(CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000104409231 276130168 /nfs/dbraw/zinc/13/01/68/276130168.db2.gz MHTZVMRJOHPQEN-UHFFFAOYSA-N 0 3 311.769 2.462 20 5 DEBDHN CN1CC[C@H]2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000369844016 277174675 /nfs/dbraw/zinc/17/46/75/277174675.db2.gz AAGOGEMYLDPBBG-SMDDNHRTSA-N 0 3 304.350 2.153 20 5 DEBDHN CS[C@H]1CN(c2nccc(C)c2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000274652116 278168894 /nfs/dbraw/zinc/16/88/94/278168894.db2.gz HKZUKTAQWXXFJM-STQMWFEESA-N 0 3 322.434 2.314 20 5 DEBDHN C[C@H](NCc1c([N+](=O)[O-])ncn1C)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000348536074 279490567 /nfs/dbraw/zinc/49/05/67/279490567.db2.gz QTIQQRPXHWYLLZ-ZIBATOQPSA-N 0 3 316.361 2.371 20 5 DEBDHN CC[C@@H](NCCN1C[C@H]2CC[C@@H](C1)O2)c1cccc([N+](=O)[O-])c1 ZINC000343583024 280187733 /nfs/dbraw/zinc/18/77/33/280187733.db2.gz RITYKBPPTMWIRN-IXDOHACOSA-N 0 3 319.405 2.499 20 5 DEBDHN CN(CCN1CCCC1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000089898091 281625382 /nfs/dbraw/zinc/62/53/82/281625382.db2.gz BRPBXVDVJBXOAV-UHFFFAOYSA-N 0 3 304.350 2.264 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CCCN(CCCO)C1 ZINC000577262583 326352955 /nfs/dbraw/zinc/35/29/55/326352955.db2.gz OATBQYQIFIZCGM-GJZGRUSLSA-N 0 3 321.421 2.401 20 5 DEBDHN CCCN(CCN(C)C)C(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000387559469 332384550 /nfs/dbraw/zinc/38/45/50/332384550.db2.gz STYCVCVWSQHJKZ-UHFFFAOYSA-N 0 3 308.382 2.050 20 5 DEBDHN COc1cc(CNC[C@@H](C)CCCO)c([N+](=O)[O-])cc1OC ZINC000294875486 533878168 /nfs/dbraw/zinc/87/81/68/533878168.db2.gz VDSKDQUBWIKBSR-NSHDSACASA-N 0 3 312.366 2.110 20 5 DEBDHN COc1cc(CNC[C@H](CC(C)C)OC)c([N+](=O)[O-])cc1O ZINC000418095548 533881730 /nfs/dbraw/zinc/88/17/30/533881730.db2.gz JKALUDLTSXHWNO-LBPRGKRZSA-N 0 3 312.366 2.460 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000294169294 534334171 /nfs/dbraw/zinc/33/41/71/534334171.db2.gz OLJMAVONLJRPAW-KRWDZBQOSA-N 0 3 317.389 2.461 20 5 DEBDHN CC(C)OCC[C@H](O)CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000338362716 519770201 /nfs/dbraw/zinc/77/02/01/519770201.db2.gz VGMGAGQPPFNQRI-INIZCTEOSA-N 0 3 310.394 2.245 20 5 DEBDHN CCOCCO[C@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000157688505 520031533 /nfs/dbraw/zinc/03/15/33/520031533.db2.gz VZOQQQDNEQVIAG-INIZCTEOSA-N 0 3 324.377 2.101 20 5 DEBDHN COC[C@H]1CCCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000364127479 522819635 /nfs/dbraw/zinc/81/96/35/522819635.db2.gz OARVYWHYIYIKJJ-BBRMVZONSA-N 0 3 308.378 2.377 20 5 DEBDHN CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@@]2(CCN(C)C2)C1 ZINC000368304612 534879798 /nfs/dbraw/zinc/87/97/98/534879798.db2.gz OKGLZLUDQCNBOO-MRXNPFEDSA-N 0 3 303.362 2.329 20 5 DEBDHN NC(=O)[C@H]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000157158127 527007596 /nfs/dbraw/zinc/00/75/96/527007596.db2.gz JNEWSXJRJLPMOY-LBPRGKRZSA-N 0 3 315.329 2.162 20 5 DEBDHN CCN(C)CCNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000294974049 527798744 /nfs/dbraw/zinc/79/87/44/527798744.db2.gz QZIVOMDHAOEQAR-UHFFFAOYSA-N 0 3 319.283 2.295 20 5 DEBDHN CCN1C[C@@H](C)N(CCOc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000330860533 527931197 /nfs/dbraw/zinc/93/11/97/527931197.db2.gz UWTYVDRNGDYGLE-ZIAGYGMSSA-N 0 3 307.394 2.388 20 5 DEBDHN CC[C@@H](C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)N(C)C ZINC000413633268 529273759 /nfs/dbraw/zinc/27/37/59/529273759.db2.gz UVQBRZBJHHFXCM-HNNXBMFYSA-N 0 3 305.378 2.426 20 5 DEBDHN CC[C@@H](C)N1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000295637546 529355645 /nfs/dbraw/zinc/35/56/45/529355645.db2.gz CHGVKPXRZGBLOG-CQSZACIVSA-N 0 3 307.394 2.390 20 5 DEBDHN O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000738361030 598286835 /nfs/dbraw/zinc/28/68/35/598286835.db2.gz SOXVDNSNBVUESL-UHFFFAOYSA-N 0 3 324.344 2.107 20 5 DEBDHN O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000738361030 598286836 /nfs/dbraw/zinc/28/68/36/598286836.db2.gz SOXVDNSNBVUESL-UHFFFAOYSA-N 0 3 324.344 2.107 20 5 DEBDHN CN(C(=O)CCc1cc(F)ccc1[N+](=O)[O-])[C@H]1CCCN(C)C1 ZINC000933485764 624472085 /nfs/dbraw/zinc/47/20/85/624472085.db2.gz FYKNFRLZSQTLLN-AWEZNQCLSA-N 0 3 323.368 2.219 20 5 DEBDHN COc1c(O)ccc(CN2CCC[C@@H]3COCC[C@@H]32)c1[N+](=O)[O-] ZINC000892216448 624849356 /nfs/dbraw/zinc/84/93/56/624849356.db2.gz SJBUUWNUASLGAW-OLZOCXBDSA-N 0 3 322.361 2.310 20 5 DEBDHN COc1c([O-])ccc(C[NH2+]CCCOCC2CC2)c1[N+](=O)[O-] ZINC000892462657 625725475 /nfs/dbraw/zinc/72/54/75/625725475.db2.gz TWSJKTNFHQAQAV-UHFFFAOYSA-N 0 3 310.350 2.215 20 5 DEBDHN O=[N+]([O-])c1cc(Cl)ccc1CNC[C@@H](O)C1CCOCC1 ZINC000892959947 625806784 /nfs/dbraw/zinc/80/67/84/625806784.db2.gz QKIPPWIVMMTWEF-CQSZACIVSA-N 0 3 314.769 2.125 20 5 DEBDHN COc1c([O-])ccc(C[NH2+][C@@H](C)[C@H]2CCCOC2)c1[N+](=O)[O-] ZINC000893472050 633815298 /nfs/dbraw/zinc/81/52/98/633815298.db2.gz JXVADFLAZUDZTI-JQWIXIFHSA-N 0 3 310.350 2.214 20 5 DEBDHN Cc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCN2C)cc1Cl ZINC000836698598 650122215 /nfs/dbraw/zinc/12/22/15/650122215.db2.gz PLRUOLMJYVOVSS-JTQLQIEISA-N 0 3 311.769 2.381 20 5 DEBDHN O=[N+]([O-])c1ccccc1CNC[C@@H]1CCC2(CCOCC2)O1 ZINC000922814078 636419100 /nfs/dbraw/zinc/41/91/00/636419100.db2.gz PYFPLSIYULZUMI-AWEZNQCLSA-N 0 3 306.362 2.413 20 5 DEBDHN CCC[C@@]1(NCc2ccc(O)c(OC)c2[N+](=O)[O-])CCOC1 ZINC000894419902 637029922 /nfs/dbraw/zinc/02/99/22/637029922.db2.gz VVNODFMLDKSKQV-OAHLLOKOSA-N 0 3 310.350 2.358 20 5 DEBDHN CC[C@H](C)[C@@H](CNCc1ccc(O)c(OC)c1[N+](=O)[O-])OC ZINC000894678314 637158259 /nfs/dbraw/zinc/15/82/59/637158259.db2.gz GPZMUDHFPOYSLD-GXFFZTMASA-N 0 3 312.366 2.460 20 5 DEBDHN CC[C@@H](C)[C@H](CNCc1ccc(O)c(OC)c1[N+](=O)[O-])OC ZINC000894678315 637158757 /nfs/dbraw/zinc/15/87/57/637158757.db2.gz GPZMUDHFPOYSLD-MFKMUULPSA-N 0 3 312.366 2.460 20 5 DEBDHN O=[N+]([O-])c1ccc(F)cc1CNC1(CO)CCSCC1 ZINC000839180421 637811359 /nfs/dbraw/zinc/81/13/59/637811359.db2.gz VBDFPGXSZOBYCC-UHFFFAOYSA-N 0 3 300.355 2.082 20 5 DEBDHN CC(C)(C)[C@@H]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000754226518 639404489 /nfs/dbraw/zinc/40/44/89/639404489.db2.gz OYSTZMLVQORLIU-BZUAXINKSA-N 0 3 322.405 2.357 20 5 DEBDHN CCOc1cc(CN[C@H](CC(=O)OC)C2CC2)ccc1[N+](=O)[O-] ZINC000755048728 639510210 /nfs/dbraw/zinc/51/02/10/639510210.db2.gz PKAAHAHIKSTRIW-CYBMUJFWSA-N 0 3 322.361 2.425 20 5 DEBDHN COCCN1CC[C@@H](N[C@@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872035881 639889340 /nfs/dbraw/zinc/88/93/40/639889340.db2.gz OIHORCUQCGGJOD-NWDGAFQWSA-N 0 3 311.357 2.105 20 5 DEBDHN COc1nccc(CNC[C@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000897465680 640432392 /nfs/dbraw/zinc/43/23/92/640432392.db2.gz ZMVLDRUGJUXEOH-NSHDSACASA-N 0 3 302.334 2.287 20 5 DEBDHN Cc1ccc(NC(=O)N2CC[C@@H]3CN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000929118807 640770823 /nfs/dbraw/zinc/77/08/23/640770823.db2.gz SKADROZYPRNQMT-RISCZKNCSA-N 0 3 304.350 2.071 20 5 DEBDHN CCN1C[C@H](C)N(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000766249957 640863081 /nfs/dbraw/zinc/86/30/81/640863081.db2.gz LFHHUXDTJCSOQN-DVOMOZLQSA-N 0 3 307.394 2.043 20 5 DEBDHN O=[N+]([O-])c1ccc(NC(=S)N2CCN3CCC2CC3)cc1 ZINC000787196902 643462951 /nfs/dbraw/zinc/46/29/51/643462951.db2.gz BMNUYRXPGQBZHK-UHFFFAOYSA-N 0 3 306.391 2.072 20 5 DEBDHN CN(C)[C@@H](CNCC[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000905214025 643833612 /nfs/dbraw/zinc/83/36/12/643833612.db2.gz GLMZMIHCXOWFAE-LBPRGKRZSA-N 0 3 305.300 2.174 20 5 DEBDHN Cc1nn(CN(C)CCCN(C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000795750994 644630004 /nfs/dbraw/zinc/63/00/04/644630004.db2.gz HCBRZYNXPIVVKM-UHFFFAOYSA-N 0 3 321.381 2.104 20 5 DEBDHN CC(C)[C@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CCN1 ZINC000843468538 650980980 /nfs/dbraw/zinc/98/09/80/650980980.db2.gz WABNKJVOLIJTDU-SBJJXXPASA-N 0 3 303.362 2.064 20 5 DEBDHN CCN1CCCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)[C@H](C)C1 ZINC000910286601 645389180 /nfs/dbraw/zinc/38/91/80/645389180.db2.gz HGVXICFZDVQMGI-GFCCVEGCSA-N 0 3 321.377 2.160 20 5 DEBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1-c1ccc(F)cc1 ZINC000813100197 646727751 /nfs/dbraw/zinc/72/77/51/646727751.db2.gz OZFJUKSZGLZSCQ-VIFPVBQESA-N 0 3 307.281 2.142 20 5 DEBDHN COc1ccc(C(=O)CCCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813100069 646728149 /nfs/dbraw/zinc/72/81/49/646728149.db2.gz LQHMWRQDDLOCAF-LLVKDONJSA-N 0 3 309.318 2.257 20 5 DEBDHN Cc1nc2c(cnn2C(C)C)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813101506 646728959 /nfs/dbraw/zinc/72/89/59/646728959.db2.gz CBLNCZCGMCQIFC-SECBINFHSA-N 0 3 306.322 2.143 20 5 DEBDHN CC(COC(=O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1)[N+](=O)[O-] ZINC000813104232 646729625 /nfs/dbraw/zinc/72/96/25/646729625.db2.gz YMORTPNWFAYQSA-VDAHYXPESA-N 0 3 303.236 2.416 20 5 DEBDHN CC(COC(=O)/C=C/c1ccc(Br)o1)[N+](=O)[O-] ZINC000813106079 646729761 /nfs/dbraw/zinc/72/97/61/646729761.db2.gz XZFULXPRLYYGMH-OHCKJTPYSA-N 0 3 304.096 2.264 20 5 DEBDHN CC(COC(=O)c1cc(-c2cnn(C)c2)ccc1F)[N+](=O)[O-] ZINC000813106153 646729849 /nfs/dbraw/zinc/72/98/49/646729849.db2.gz ZOGDKWBAEOMYEH-VIFPVBQESA-N 0 3 307.281 2.048 20 5 DEBDHN CC(COC(=O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1)[N+](=O)[O-] ZINC000813104231 646729863 /nfs/dbraw/zinc/72/98/63/646729863.db2.gz YMORTPNWFAYQSA-FTLITQJKSA-N 0 3 303.236 2.416 20 5 DEBDHN Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813107246 646730183 /nfs/dbraw/zinc/73/01/83/646730183.db2.gz NNPPAIUGFMJWLX-SECBINFHSA-N 0 3 321.308 2.450 20 5 DEBDHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])c(Br)c1 ZINC000813112818 646731311 /nfs/dbraw/zinc/73/13/11/646731311.db2.gz UCIPSLSJJVHEHD-SSDOTTSWSA-N 0 3 318.123 2.280 20 5 DEBDHN Cc1nn(-c2ccccc2)c(C)c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813110737 646731605 /nfs/dbraw/zinc/73/16/05/646731605.db2.gz IJONPOVVTCJNKF-JTQLQIEISA-N 0 3 303.318 2.311 20 5 DEBDHN COCCOc1ccc(Cl)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813114869 646732100 /nfs/dbraw/zinc/73/21/00/646732100.db2.gz IDHIGWCEBADFET-SECBINFHSA-N 0 3 317.725 2.187 20 5 DEBDHN CC(COC(=O)Cc1cc(F)ccc1Br)[N+](=O)[O-] ZINC000813113576 646733111 /nfs/dbraw/zinc/73/31/11/646733111.db2.gz GJVNRGKOZQJRNH-ZETCQYMHSA-N 0 3 320.114 2.339 20 5 DEBDHN C[C@@H](C[N+](=O)[O-])OC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000814038529 646840465 /nfs/dbraw/zinc/84/04/65/646840465.db2.gz DMGYCVGFFVHCGR-ZDUSSCGKSA-N 0 3 306.362 2.107 20 5 DEBDHN CC(COC(=O)Cc1cscc1Br)[N+](=O)[O-] ZINC000816091279 647089988 /nfs/dbraw/zinc/08/99/88/647089988.db2.gz QLYBDFXPBZFHOK-LURJTMIESA-N 0 3 308.153 2.262 20 5 DEBDHN CN(CC[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000930075188 648148459 /nfs/dbraw/zinc/14/84/59/648148459.db2.gz QYZWHPWAFFMKLY-FUNVUKJBSA-N 0 3 313.398 2.125 20 5 DEBDHN Cc1ccc(CNC(=O)CN(C)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000825633813 648791393 /nfs/dbraw/zinc/79/13/93/648791393.db2.gz JELCZTIBSCBWDH-UHFFFAOYSA-N 0 3 307.394 2.497 20 5 DEBDHN CCC(CC)(C(=O)OCC(C)[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000845577017 651256292 /nfs/dbraw/zinc/25/62/92/651256292.db2.gz QGZMTOAOQLPHPY-JTQLQIEISA-N 0 3 303.355 2.343 20 5 DEBDHN CC([C@H](OC(=O)[C@H]1CCC(=O)C1)c1ccccc1F)[N+](=O)[O-] ZINC000845875783 651291196 /nfs/dbraw/zinc/29/11/96/651291196.db2.gz CKQDCVOEGLMVKY-BFVZDQMLSA-N 0 3 309.293 2.444 20 5 DEBDHN CC([C@H](OC(=O)COC(F)F)c1ccccc1F)[N+](=O)[O-] ZINC000845877734 651291502 /nfs/dbraw/zinc/29/15/02/651291502.db2.gz GMHSNMFWWLTACR-HQJQHLMTSA-N 0 3 307.224 2.314 20 5 DEBDHN Cc1n[nH]cc1C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845882062 651291917 /nfs/dbraw/zinc/29/19/17/651291917.db2.gz NURUJTPFUMTWFR-TVQRCGJNSA-N 0 3 307.281 2.421 20 5 DEBDHN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C1(N)CC3(CCC3)C1)CC2 ZINC000851638611 652195537 /nfs/dbraw/zinc/19/55/37/652195537.db2.gz IADIRQPANOINBR-UHFFFAOYSA-N 0 3 315.373 2.454 20 5 DEBDHN CC(=O)c1cc([N+](=O)[O-])ccc1NCCCN1CCC(O)CC1 ZINC000853201082 652520938 /nfs/dbraw/zinc/52/09/38/652520938.db2.gz AYXZQSMHZLDPMO-UHFFFAOYSA-N 0 3 321.377 2.056 20 5 DEBDHN CN(C)CCN(C)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859807130 685827961 /nfs/dbraw/zinc/82/79/61/685827961.db2.gz CJSHJYJLUQHRLS-UHFFFAOYSA-N 0 3 301.346 2.382 20 5 DEBDHN O=[N+]([O-])c1ccc(NCCN2CC[C@H](O)C2)c(C(F)F)c1 ZINC000865978034 687398438 /nfs/dbraw/zinc/39/84/38/687398438.db2.gz XOGCKKSVVWBWRL-JTQLQIEISA-N 0 3 301.293 2.011 20 5 DEBDHN COc1ccc(CNC(=O)[C@@H]2CCCN2C(C)C)cc1[N+](=O)[O-] ZINC000930338550 694140326 /nfs/dbraw/zinc/14/03/26/694140326.db2.gz LHWXPNXDOFTAIH-ZDUSSCGKSA-N 0 3 321.377 2.092 20 5 DEBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000871763440 688862760 /nfs/dbraw/zinc/86/27/60/688862760.db2.gz HJGVTXFCZJBMTH-UONOGXRCSA-N 0 3 304.350 2.295 20 5 DEBDHN CCN1C[C@@H](CN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])CC1=O ZINC000872085534 688923988 /nfs/dbraw/zinc/92/39/88/688923988.db2.gz ZQZSNVBVFOGQLU-WDEREUQCSA-N 0 3 309.341 2.253 20 5 DEBDHN C[C@@H](NC[C@@H]1CC(=O)N(C2CC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872083173 688924388 /nfs/dbraw/zinc/92/43/88/688924388.db2.gz IJPMAUWKIUUWCN-MNOVXSKESA-N 0 3 321.352 2.395 20 5 DEBDHN CC1(C)[C@H]2[C@H](CCCN2C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]1O ZINC000872262176 688967358 /nfs/dbraw/zinc/96/73/58/688967358.db2.gz SALFRNWMCXJLHN-JONQDZQNSA-N 0 3 320.389 2.110 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000874828780 689504360 /nfs/dbraw/zinc/50/43/60/689504360.db2.gz IEKMAXBZAUVEHJ-QWHCGFSZSA-N 0 3 303.362 2.212 20 5 DEBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000931611382 694439754 /nfs/dbraw/zinc/43/97/54/694439754.db2.gz UAPZHCQYCZMSAG-RNCFNFMXSA-N 0 3 322.340 2.338 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H](CO)C[C@H]1CCCO1 ZINC000886671823 692155507 /nfs/dbraw/zinc/15/55/07/692155507.db2.gz DLOVDXWBCJZSJV-SGMGOOAPSA-N 0 3 324.377 2.184 20 5 DEBDHN C[C@@H](CNC(=O)C1(N(C)C)CCC1)c1ccccc1[N+](=O)[O-] ZINC000887400832 692355323 /nfs/dbraw/zinc/35/53/23/692355323.db2.gz KYPMQYLIHNGERK-LBPRGKRZSA-N 0 3 305.378 2.299 20 5 DEBDHN C[C@]1([C@@H]2CCCN(Cc3ccccc3[N+](=O)[O-])C2)COC(=O)N1 ZINC000932017579 694527866 /nfs/dbraw/zinc/52/78/66/694527866.db2.gz OIRPWVZULGTOJG-CZUORRHYSA-N 0 3 319.361 2.305 20 5 DEBDHN CCOC(=O)[C@@H]1[C@@H]2CCN(CCc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000932063238 694539943 /nfs/dbraw/zinc/53/99/43/694539943.db2.gz SOLLDGWLKYRGMM-OWCLPIDISA-N 0 3 318.373 2.268 20 5 DEBDHN C[C@@H](CNC(=O)N1C[C@@H](C)NC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC001357687211 1152325626 /nfs/dbraw/zinc/32/56/26/1152325626.db2.gz HINRJRIGNVQWAZ-XQQFMLRXSA-N 0 3 320.393 2.090 20 5 DEBDHN O=C(NCCN1CCCCC1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001332846666 1149899851 /nfs/dbraw/zinc/89/98/51/1149899851.db2.gz ADCWSICBGQGHSQ-CVEARBPZSA-N 0 3 317.389 2.300 20 5 DEBDHN NCc1nn(-c2ncc3cccc([N+](=O)[O-])c3n2)c2ccccc12 ZINC001167698200 777893369 /nfs/dbraw/zinc/89/33/69/777893369.db2.gz VOFCRKRCTZVUIQ-UHFFFAOYSA-N 0 3 320.312 2.336 20 5 DEBDHN COC[C@@H](CCNCc1ccc(Cl)cc1[N+](=O)[O-])OC ZINC000694630243 777899399 /nfs/dbraw/zinc/89/93/99/777899399.db2.gz FMXFECXZUKCLLT-GFCCVEGCSA-N 0 3 302.758 2.389 20 5 DEBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1sccc1F ZINC001126698428 780426214 /nfs/dbraw/zinc/42/62/14/780426214.db2.gz UXAAIWVRZOTXMC-UHFFFAOYSA-N 0 3 323.349 2.315 20 5 DEBDHN C[C@H](C[N+](C)(C)C)Oc1cc(O)cc([O-])c1Br ZINC001229097983 780471253 /nfs/dbraw/zinc/47/12/53/780471253.db2.gz ZATBKCXAXAMDNN-MRVPVSSYSA-O 0 3 305.192 2.334 20 5 DEBDHN C[C@H](Nc1ncc(C(C)(C)C)cc1[N+](=O)[O-])[C@@H]1CNCCO1 ZINC001170561467 787629350 /nfs/dbraw/zinc/62/93/50/787629350.db2.gz FKKINNKWNPJPNS-GWCFXTLKSA-N 0 3 308.382 2.076 20 5 DEBDHN C[C@H](Nc1ccc(C(F)(F)F)c([N+](=O)[O-])c1)[C@H]1CNCCO1 ZINC001170568072 787646891 /nfs/dbraw/zinc/64/68/91/787646891.db2.gz MVNBRQZKFJCYEU-QPUJVOFHSA-N 0 3 319.283 2.402 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1CC[C@@](F)(CO)C1)CC2 ZINC001172909481 793542548 /nfs/dbraw/zinc/54/25/48/793542548.db2.gz SADVHJQBMGHLJZ-ZBFHGGJFSA-N 0 3 308.353 2.249 20 5 DEBDHN COCCCN1CCN([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173234552 793645837 /nfs/dbraw/zinc/64/58/37/793645837.db2.gz SATHACAYKATKLR-OAHLLOKOSA-N 0 3 321.421 2.180 20 5 DEBDHN CC(=O)N(C)[C@H]1CCN([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173232860 793646412 /nfs/dbraw/zinc/64/64/12/793646412.db2.gz UEBRRHUWUCFXRF-LRDDRELGSA-N 0 3 305.378 2.078 20 5 DEBDHN CCNC(=O)[C@@H]1CCCN1[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173236682 793653401 /nfs/dbraw/zinc/65/34/01/793653401.db2.gz DXHMLAQCVUZBOY-WFASDCNBSA-N 0 3 305.378 2.126 20 5 DEBDHN O=[N+]([O-])c1cccc(-n2cncc2CNCc2ccccc2)n1 ZINC001156482715 798013023 /nfs/dbraw/zinc/01/30/23/798013023.db2.gz UXGLYRQYVWSDKI-UHFFFAOYSA-N 0 3 309.329 2.465 20 5 DEBDHN Cc1ncc([N+](=O)[O-])c(N(C)CCN(C)Cc2ccccc2)n1 ZINC001157553546 798228412 /nfs/dbraw/zinc/22/84/12/798228412.db2.gz ATKYWXQKFHYELV-UHFFFAOYSA-N 0 3 315.377 2.261 20 5 DEBDHN O=[N+]([O-])c1ccc2nc(Cl)nc(N3CCN4CC[C@H]4C3)c2c1 ZINC001158423251 798405320 /nfs/dbraw/zinc/40/53/20/798405320.db2.gz JKSFYCXFAJVOOG-JTQLQIEISA-N 0 3 319.752 2.086 20 5 DEBDHN CCN1CCN(c2cnc3ccc([N+](=O)[O-])cc3n2)C(C)(C)C1 ZINC001158563139 798430043 /nfs/dbraw/zinc/43/00/43/798430043.db2.gz YZAXQIXTFUKBKJ-UHFFFAOYSA-N 0 3 315.377 2.459 20 5 DEBDHN CC(C)(C)OC(=O)N1CC(NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000221626533 799412364 /nfs/dbraw/zinc/41/23/64/799412364.db2.gz LYNYEEDHAZWTGN-UHFFFAOYSA-N 0 3 321.377 2.346 20 5 DEBDHN Cc1c(CN2CCC3(CC2)C[C@H](O)CCO3)cccc1[N+](=O)[O-] ZINC000933062160 800003072 /nfs/dbraw/zinc/00/30/72/800003072.db2.gz FKQRYHCAJNJTFK-OAHLLOKOSA-N 0 3 320.389 2.409 20 5 DEBDHN CN(C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)[C@H]1CCCN(C)C1 ZINC000933485712 800106832 /nfs/dbraw/zinc/10/68/32/800106832.db2.gz KFDSACHXMBUTFE-XHSDSOJGSA-N 0 3 317.389 2.251 20 5 DEBDHN CC[C@@H](NC(=O)N[C@@H]1CCN(C)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC001224287237 802855667 /nfs/dbraw/zinc/85/56/67/802855667.db2.gz NJEHGRSXTBQSQR-KCPJHIHWSA-N 0 3 320.393 2.438 20 5 DEBDHN COC(=O)Cc1ccc(O[C@H]2CCN(C(C)C)C2)c([N+](=O)[O-])c1 ZINC001226213595 803072110 /nfs/dbraw/zinc/07/21/10/803072110.db2.gz FEHKJLNNXNHKFT-ZDUSSCGKSA-N 0 3 322.361 2.172 20 5 DEBDHN COCCN1CCC(Oc2cc([N+](=O)[O-])cc(F)c2F)CC1 ZINC001228016259 803306734 /nfs/dbraw/zinc/30/67/34/803306734.db2.gz LVGNXROUKIXGHY-UHFFFAOYSA-N 0 3 316.304 2.363 20 5 DEBDHN COCCN1CCC(Oc2nccc(Cl)c2[N+](=O)[O-])CC1 ZINC001228017747 803307792 /nfs/dbraw/zinc/30/77/92/803307792.db2.gz ROTISTOMCMXGRE-UHFFFAOYSA-N 0 3 315.757 2.133 20 5 DEBDHN COCCN1CCC(Oc2ccnc(Cl)c2[N+](=O)[O-])CC1 ZINC001228057577 803313805 /nfs/dbraw/zinc/31/38/05/803313805.db2.gz PIHDTICSYVNNNT-UHFFFAOYSA-N 0 3 315.757 2.133 20 5 DEBDHN C[C@@H](C[N+](C)(C)C)Oc1cc([O-])cc2c1C(=O)OC(C)(C)O2 ZINC001228079660 803316542 /nfs/dbraw/zinc/31/65/42/803316542.db2.gz QAIKYYZWUBXVRP-JTQLQIEISA-O 0 3 310.370 2.151 20 5 DEBDHN CC(COC(=O)C1=Cc2ccccc2O[C@@H]1C(F)F)[N+](=O)[O-] ZINC001343646116 1150759716 /nfs/dbraw/zinc/75/97/16/1150759716.db2.gz ALHGYSBNCNDFPY-PELKAZGASA-N 0 3 313.256 2.305 20 5 DEBDHN CCCN(CCN1CCCC1)C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001467902702 1059716482 /nfs/dbraw/zinc/71/64/82/1059716482.db2.gz GXNPRTVGLPKBDC-UHFFFAOYSA-N 0 3 320.393 2.125 20 5 DEBDHN CCN1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC)C(C)(C)C1 ZINC001472056881 1060391252 /nfs/dbraw/zinc/39/12/52/1060391252.db2.gz LRMSIGDBCAQKGF-CQSZACIVSA-N 0 3 321.377 2.064 20 5 DEBDHN Cc1c([C@@H](C)NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)cnn1C ZINC001329135940 1148867899 /nfs/dbraw/zinc/86/78/99/1148867899.db2.gz VLXLOBHEDQRGMD-MEBBXXQBSA-N 0 3 304.350 2.021 20 5 DEBDHN Cc1c(CN2CCC[C@@H](c3cn(C)nn3)C2)cccc1[N+](=O)[O-] ZINC001560218134 1075133608 /nfs/dbraw/zinc/13/36/08/1075133608.db2.gz VGYDYYHBTURFMX-CQSZACIVSA-N 0 3 315.377 2.411 20 5 DEBDHN CC[C@@H](C)C[C@H](CO)NCc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001560899285 1075147549 /nfs/dbraw/zinc/14/75/49/1075147549.db2.gz OGMBUPMFSNLXLT-ZYHUDNBSSA-N 0 3 312.366 2.196 20 5 DEBDHN Cn1cnc([N+](=O)[O-])c1N1CCN[C@@H](c2ccc(Cl)cc2)C1 ZINC001652342690 1079871162 /nfs/dbraw/zinc/87/11/62/1079871162.db2.gz RBHFWBHMVNCDMO-GFCCVEGCSA-N 0 3 321.768 2.133 20 5 DEBDHN CC(C)C(C)(C)C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001128158305 1085041028 /nfs/dbraw/zinc/04/10/28/1085041028.db2.gz FWYIRYOOUPQTCF-UHFFFAOYSA-N 0 3 307.394 2.483 20 5 DEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCNC[C@H]1C(F)(F)F ZINC001246992364 1141225770 /nfs/dbraw/zinc/22/57/70/1141225770.db2.gz QNHRFQNFVDWUEY-MFKMUULPSA-N 0 3 317.311 2.362 20 5 DEBDHN CN1CCCC[C@@H]1CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001339263995 1143002578 /nfs/dbraw/zinc/00/25/78/1143002578.db2.gz IODDGQQPIKPHTB-CQSZACIVSA-N 0 3 323.368 2.267 20 5 DEBDHN CCN1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254476987 1143131939 /nfs/dbraw/zinc/13/19/39/1143131939.db2.gz YSLVYNUKUHFBBE-UHFFFAOYSA-N 0 3 318.421 2.201 20 5 DEBDHN CC(=O)N(C)C1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254607729 1143279796 /nfs/dbraw/zinc/27/97/96/1143279796.db2.gz MQZVDJHZGXSQJG-QGZVFWFLSA-N 0 3 317.389 2.005 20 5 DEBDHN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@]1(C)CN2CCC1CC2 ZINC001278807313 1143317592 /nfs/dbraw/zinc/31/75/92/1143317592.db2.gz XHHSVPHRPJZXKS-MRXNPFEDSA-N 0 3 321.352 2.256 20 5 DEBDHN O=C(NCc1ccccc1[N+](=O)[O-])c1cc2c(s1)CNCC2 ZINC001340586815 1143375758 /nfs/dbraw/zinc/37/57/58/1143375758.db2.gz ZBSTVVIURDQPQD-UHFFFAOYSA-N 0 3 317.370 2.232 20 5 DEBDHN C[C@@H]1CN[C@@H](C)[C@H](C)N1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC001341768396 1143701474 /nfs/dbraw/zinc/70/14/74/1143701474.db2.gz URKLILBHGPJPHO-WOPDTQHZSA-N 0 3 323.418 2.284 20 5 DEBDHN COc1c([O-])ccc(C[NH2+]C[C@@]2(O)CCCC2(C)C)c1[N+](=O)[O-] ZINC001308783808 1147486382 /nfs/dbraw/zinc/48/63/82/1147486382.db2.gz XYJIQKOIUGRABK-INIZCTEOSA-N 0 3 324.377 2.340 20 5 DEBDHN Cc1cncc([N+](=O)[O-])c1NCCCCN1C[C@H](C)O[C@@H](C)C1 ZINC001326089801 1148039064 /nfs/dbraw/zinc/03/90/64/1148039064.db2.gz GWSXFRNTXVWRKW-KBPBESRZSA-N 0 3 322.409 2.021 20 5 DEBDHN O=C(NCCc1ccccc1[N+](=O)[O-])C1CCN(C2CC2)CC1 ZINC000278368427 214121419 /nfs/dbraw/zinc/12/14/19/214121419.db2.gz OXQDEQMMZWNPGG-UHFFFAOYSA-N 0 3 317.389 2.128 20 5 DEBDHN CCNC(=O)N1CC[C@@H](N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000090410249 185294848 /nfs/dbraw/zinc/29/48/48/185294848.db2.gz QWBSSTNZCPBUFK-DGCLKSJQSA-N 0 3 306.366 2.049 20 5 DEBDHN Cc1ccccc1[C@@H](C)NCCn1cc([N+](=O)[O-])ccc1=O ZINC000181535755 199313047 /nfs/dbraw/zinc/31/30/47/199313047.db2.gz CZUYSEOCXIYZOE-CYBMUJFWSA-N 0 3 301.346 2.416 20 5 DEBDHN Cc1nnsc1CN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000426332785 282373524 /nfs/dbraw/zinc/37/35/24/282373524.db2.gz FFWWCQSXIAPZMJ-MNOVXSKESA-N 0 3 322.394 2.225 20 5 DEBDHN C[C@@H](CN(C)C)Nc1c(Br)cncc1[N+](=O)[O-] ZINC000235118716 201911315 /nfs/dbraw/zinc/91/13/15/201911315.db2.gz YQGVCPPUDLRUTI-ZETCQYMHSA-N 0 3 303.160 2.114 20 5 DEBDHN Cc1cc(C(=O)N[C@@H](C)C2=CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000272659047 210062173 /nfs/dbraw/zinc/06/21/73/210062173.db2.gz GKZJWSWSARUGBG-LBPRGKRZSA-N 0 3 303.362 2.283 20 5 DEBDHN Cc1c(C(=O)N[C@H](C)C2=CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000272632375 210035077 /nfs/dbraw/zinc/03/50/77/210035077.db2.gz BORCSYALANBPSM-GFCCVEGCSA-N 0 3 303.362 2.283 20 5 DEBDHN Cc1cc(C(=O)N2CC[C@H]3CCN(C)C[C@H]32)cc([N+](=O)[O-])c1 ZINC000272609615 210010165 /nfs/dbraw/zinc/01/01/65/210010165.db2.gz ZQKHPFYDXHXXHF-IUODEOHRSA-N 0 3 303.362 2.069 20 5 DEBDHN Cc1cccc(C(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)c1[N+](=O)[O-] ZINC000164273513 186154692 /nfs/dbraw/zinc/15/46/92/186154692.db2.gz HOXWYGKXKKKKQA-HIFRSBDPSA-N 0 3 317.389 2.460 20 5 DEBDHN COC(=O)c1cc([N+](=O)[O-])c(NC[C@@H](C)N(C)C)cc1Cl ZINC000277204013 213364612 /nfs/dbraw/zinc/36/46/12/213364612.db2.gz YBAGJWYWKNFQNH-MRVPVSSYSA-N 0 3 315.757 2.397 20 5 DEBDHN COc1ccc(OCCN2CCCC[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000173660147 198237416 /nfs/dbraw/zinc/23/74/16/198237416.db2.gz WEPQKZOECDAEET-CYBMUJFWSA-N 0 3 324.377 2.219 20 5 DEBDHN C[C@@H]1CCCN(CCNC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000046381274 354281327 /nfs/dbraw/zinc/28/13/27/354281327.db2.gz JPDIBFXDYKBDAL-GFCCVEGCSA-N 0 3 306.366 2.448 20 5 DEBDHN CCCNC(=O)[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000050995324 354377754 /nfs/dbraw/zinc/37/77/54/354377754.db2.gz KLJASMVOXNLSLA-CQSZACIVSA-N 0 3 305.378 2.333 20 5 DEBDHN C[C@@H]1CCCN(C(C)(C)CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000053392396 354433274 /nfs/dbraw/zinc/43/32/74/354433274.db2.gz ABAFYQVRFCVYSF-LLVKDONJSA-N 0 3 308.382 2.163 20 5 DEBDHN CC1CCN(C[C@@H](O)CNc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000067373218 354759795 /nfs/dbraw/zinc/75/97/95/354759795.db2.gz KDPIINCZMPQRQB-ZDUSSCGKSA-N 0 3 311.357 2.239 20 5 DEBDHN CCN1CCN(CCCNc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000075469745 355088713 /nfs/dbraw/zinc/08/87/13/355088713.db2.gz ABUKNVWCJLIJDF-UHFFFAOYSA-N 0 3 310.373 2.173 20 5 DEBDHN COc1cc(C[NH2+]CCCc2nccs2)c([N+](=O)[O-])cc1[O-] ZINC000076892425 355172607 /nfs/dbraw/zinc/17/26/07/355172607.db2.gz RSQOOVNCGRGBGD-UHFFFAOYSA-N 0 3 323.374 2.488 20 5 DEBDHN CCOc1cc(Nc2cnn(CCN(C)C)c2)ccc1[N+](=O)[O-] ZINC000092627933 355642382 /nfs/dbraw/zinc/64/23/82/355642382.db2.gz QCTQQXZMVXBUIB-UHFFFAOYSA-N 0 3 319.365 2.495 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H](O)COCC1CC1 ZINC000129908460 355837559 /nfs/dbraw/zinc/83/75/59/355837559.db2.gz MVUFVPHXMKNZBB-WFASDCNBSA-N 0 3 308.378 2.341 20 5 DEBDHN C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000578496556 356825959 /nfs/dbraw/zinc/82/59/59/356825959.db2.gz HAQLFNWJNKGHLF-VBNZEHGJSA-N 0 3 317.389 2.299 20 5 DEBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000588823587 357427449 /nfs/dbraw/zinc/42/74/49/357427449.db2.gz JBUPUOVKUASIFY-CHWSQXEVSA-N 0 3 307.398 2.040 20 5 DEBDHN CC1(C)C[C@@H](NC[C@H]2CCCNC2=O)c2cc([N+](=O)[O-])ccc21 ZINC000591244720 357693971 /nfs/dbraw/zinc/69/39/71/357693971.db2.gz DKGGJFZWPJPUIP-IAQYHMDHSA-N 0 3 317.389 2.433 20 5 DEBDHN C[C@H](CNC[C@H](O)COc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000591761137 357757312 /nfs/dbraw/zinc/75/73/12/357757312.db2.gz XZVXBEPFYZCQJG-KOLCDFICSA-N 0 3 322.283 2.123 20 5 DEBDHN CCC(C)(C)N1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000594390051 358254659 /nfs/dbraw/zinc/25/46/59/358254659.db2.gz RQIVNGQMLVYFJN-UHFFFAOYSA-N 0 3 319.405 2.470 20 5 DEBDHN COC1CCN(CCN[C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000594496680 358283333 /nfs/dbraw/zinc/28/33/33/358283333.db2.gz REBAPWMQYSYJDR-MRXNPFEDSA-N 0 3 319.405 2.283 20 5 DEBDHN CC(C)(C)N1C[C@@H](CNCc2ccc([N+](=O)[O-])cc2F)CC1=O ZINC000594992404 358374443 /nfs/dbraw/zinc/37/44/43/358374443.db2.gz DSOSTAWXHJGHED-LLVKDONJSA-N 0 3 323.368 2.471 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H]1CCn2ccnc2C1 ZINC000595032694 358381196 /nfs/dbraw/zinc/38/11/96/358381196.db2.gz LBZVWKCWTZFITA-VXGBXAGGSA-N 0 3 316.361 2.466 20 5 DEBDHN CO[C@@]1(C)C[C@H]1N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000595106121 358390491 /nfs/dbraw/zinc/39/04/91/358390491.db2.gz ITMJWGUEZKUVJS-ZBINZKHDSA-N 0 3 307.350 2.079 20 5 DEBDHN CS[C@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000595404213 358440461 /nfs/dbraw/zinc/44/04/61/358440461.db2.gz OVFFXCGJJLPMJI-KBPBESRZSA-N 0 3 313.398 2.211 20 5 DEBDHN COc1cccc(C2(NCCn3cc([N+](=O)[O-])cn3)CCC2)c1 ZINC000595862755 358566555 /nfs/dbraw/zinc/56/65/55/358566555.db2.gz XAFOCYIQLMQNFE-UHFFFAOYSA-N 0 3 316.361 2.469 20 5 DEBDHN O=c1[n-]ccc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000596170681 358629129 /nfs/dbraw/zinc/62/91/29/358629129.db2.gz VARVRYLREHKVCG-WCQYABFASA-N 0 3 318.377 2.149 20 5 DEBDHN O=c1[n-]ccc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000596170681 358629134 /nfs/dbraw/zinc/62/91/34/358629134.db2.gz VARVRYLREHKVCG-WCQYABFASA-N 0 3 318.377 2.149 20 5 DEBDHN NC(=O)c1cc(N[C@H]2CCCN3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000596298142 358663134 /nfs/dbraw/zinc/66/31/34/358663134.db2.gz URKRFZJUIGWXCX-ZFWWWQNUSA-N 0 3 318.377 2.123 20 5 DEBDHN CC[C@@H]1CN(C)CCCN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000597606148 358961598 /nfs/dbraw/zinc/96/15/98/358961598.db2.gz VFFWEXADBWVSTF-CQSZACIVSA-N 0 3 323.368 2.219 20 5 DEBDHN COc1cc(CNCCn2cc([N+](=O)[O-])cn2)ccc1Cl ZINC000598967612 359371521 /nfs/dbraw/zinc/37/15/21/359371521.db2.gz KFDPULFEDKVGAW-UHFFFAOYSA-N 0 3 310.741 2.243 20 5 DEBDHN O=c1[nH]cccc1CN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000599088649 359399984 /nfs/dbraw/zinc/39/99/84/359399984.db2.gz RXTPYODDRGCYNI-STQMWFEESA-N 0 3 317.349 2.165 20 5 DEBDHN O=[N+]([O-])c1ccc(CO)c(-c2cccc([C@@H]3CNCCO3)c2)c1 ZINC000600782123 359827480 /nfs/dbraw/zinc/82/74/80/359827480.db2.gz KEQLEMSBLDMVNB-KRWDZBQOSA-N 0 3 314.341 2.415 20 5 DEBDHN CNC(=O)CCCNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602528137 360418848 /nfs/dbraw/zinc/41/88/48/360418848.db2.gz NCQMBRJJMFHTKO-UHFFFAOYSA-N 0 3 319.283 2.229 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000602797833 360560531 /nfs/dbraw/zinc/56/05/31/360560531.db2.gz MEZLYBKFBIWYRD-HUUCEWRRSA-N 0 3 322.409 2.238 20 5 DEBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CSCCN2)c2ncccc12 ZINC000603420612 360827297 /nfs/dbraw/zinc/82/72/97/360827297.db2.gz UUHIOLVUYLKWIV-SNVBAGLBSA-N 0 3 304.375 2.260 20 5 DEBDHN COC(=O)C[C@@H]1CCCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000604473339 360908712 /nfs/dbraw/zinc/90/87/12/360908712.db2.gz UOBOYKHYZOBREG-AWEZNQCLSA-N 0 3 322.361 2.391 20 5 DEBDHN CC(C)(C)N1CCCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000609560693 361319747 /nfs/dbraw/zinc/31/97/47/361319747.db2.gz RPQMUVVEASJTEH-UHFFFAOYSA-N 0 3 320.393 2.004 20 5 DEBDHN CC[C@H](C)[C@@](C)(O)CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000609571479 361321464 /nfs/dbraw/zinc/32/14/64/361321464.db2.gz JMBLFOFMHVVEGX-ZBEGNZNMSA-N 0 3 324.377 2.253 20 5 DEBDHN O=[N+]([O-])c1ccc(OC2CCN(CC3(O)CCC3)CC2)cc1 ZINC000610705863 361449758 /nfs/dbraw/zinc/44/97/58/361449758.db2.gz YTJCDRGCIQFMIP-UHFFFAOYSA-N 0 3 306.362 2.353 20 5 DEBDHN C[C@H]1CN(CCCCNc2cccnc2[N+](=O)[O-])C[C@H](C)O1 ZINC000610734578 361455196 /nfs/dbraw/zinc/45/51/96/361455196.db2.gz VHGDPXOCFYMOHB-STQMWFEESA-N 0 3 308.382 2.291 20 5 DEBDHN Cc1c(NC(=O)CCN2CCCOC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000610990747 361504767 /nfs/dbraw/zinc/50/47/67/361504767.db2.gz LMNKKYOWLVTUMM-LBPRGKRZSA-N 0 3 321.377 2.343 20 5 DEBDHN CC[C@@H]1CN(C)CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000619567153 363827737 /nfs/dbraw/zinc/82/77/37/363827737.db2.gz WIOJWDSGBPQDQO-CQSZACIVSA-N 0 3 305.378 2.460 20 5 DEBDHN CO[C@H]1C[C@@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1(C)C ZINC000451502723 243040392 /nfs/dbraw/zinc/04/03/92/243040392.db2.gz PMSCLKJOJBKRNT-KGLIPLIRSA-N 0 3 321.377 2.245 20 5 DEBDHN CC(C)[C@H](C(=O)N(C)CCc1cccc([N+](=O)[O-])c1)N(C)C ZINC000282520807 217058147 /nfs/dbraw/zinc/05/81/47/217058147.db2.gz PNDQTOGVGIZPFD-OAHLLOKOSA-N 0 3 307.394 2.182 20 5 DEBDHN O=[N+]([O-])c1ccccc1CNC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000282944325 217341960 /nfs/dbraw/zinc/34/19/60/217341960.db2.gz XIWNJZFCBFHICA-HOCLYGCPSA-N 0 3 320.389 2.252 20 5 DEBDHN CCc1ccc(C(=O)NC[C@H](C)N2CCCC2)cc1[N+](=O)[O-] ZINC000530834159 284472471 /nfs/dbraw/zinc/47/24/71/284472471.db2.gz CGRBVFHKRTWFAM-LBPRGKRZSA-N 0 3 305.378 2.371 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)c1 ZINC000268011591 206394685 /nfs/dbraw/zinc/39/46/85/206394685.db2.gz UVZOVMPQVLFKLM-NEPJUHHUSA-N 0 3 303.362 2.258 20 5 DEBDHN O=C(Nc1ccc([N+](=O)[O-])cc1F)NC1CCN(C2CC2)CC1 ZINC000273512123 210832020 /nfs/dbraw/zinc/83/20/20/210832020.db2.gz WZZDNSYMAHYPOU-UHFFFAOYSA-N 0 3 322.340 2.482 20 5 DEBDHN COc1cc(C(=O)NC[C@H](CC(C)C)N(C)C)ccc1[N+](=O)[O-] ZINC000114377550 194650884 /nfs/dbraw/zinc/65/08/84/194650884.db2.gz ICOQJLBMRQRSGO-ZDUSSCGKSA-N 0 3 323.393 2.310 20 5 DEBDHN Cc1nn(C)cc1[C@@H](C)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000537967241 285023216 /nfs/dbraw/zinc/02/32/16/285023216.db2.gz ZTVCLMKSWQKROC-LLVKDONJSA-N 0 3 304.350 2.366 20 5 DEBDHN C[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C1=CCN(C)CC1 ZINC000272954813 210342602 /nfs/dbraw/zinc/34/26/02/210342602.db2.gz MYULFGRDJHLNES-LJLILKBBSA-N 0 3 315.373 2.375 20 5 DEBDHN CN1CCC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000542762378 285247667 /nfs/dbraw/zinc/24/76/67/285247667.db2.gz KEFAMSNPLDYEFA-JTQLQIEISA-N 0 3 310.329 2.197 20 5 DEBDHN COC[C@@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000544415029 285348526 /nfs/dbraw/zinc/34/85/26/285348526.db2.gz GDIORGKKVSDDFD-GXTWGEPZSA-N 0 3 323.393 2.491 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(C)CC[C@@H]1C ZINC000340245013 131259468 /nfs/dbraw/zinc/25/94/68/131259468.db2.gz ACLIXOFKHRYEHR-NSHDSACASA-N 0 3 322.365 2.161 20 5 DEBDHN Cc1c([C@@H](C)NCCC2(O)CCOCC2)cccc1[N+](=O)[O-] ZINC000353869457 133007955 /nfs/dbraw/zinc/00/79/55/133007955.db2.gz KWVRFKIWUXDYBC-CYBMUJFWSA-N 0 3 308.378 2.485 20 5 DEBDHN CSC1(CNc2ncc([N+](=O)[O-])s2)CCN(C)CC1 ZINC000357564271 133085249 /nfs/dbraw/zinc/08/52/49/133085249.db2.gz JEMXFUGJEMXIJI-UHFFFAOYSA-N 0 3 302.425 2.291 20 5 DEBDHN CC1(C)CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CCCO1 ZINC000377696138 133342060 /nfs/dbraw/zinc/34/20/60/133342060.db2.gz FGFNRHZUERUJDH-UHFFFAOYSA-N 0 3 321.377 2.424 20 5 DEBDHN Cc1cc(NC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000372960499 133371715 /nfs/dbraw/zinc/37/17/15/133371715.db2.gz WEIIVVSSXCVHCF-DOMZBBRYSA-N 0 3 318.377 2.461 20 5 DEBDHN CCO[C@@H]1C[C@H]1NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000564808047 292111814 /nfs/dbraw/zinc/11/18/14/292111814.db2.gz BCXLYNGZVKZKAJ-HUUCEWRRSA-N 0 3 316.361 2.262 20 5 DEBDHN C[C@@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000193110466 145082048 /nfs/dbraw/zinc/08/20/48/145082048.db2.gz UGCLEGFXVFDJGN-IUODEOHRSA-N 0 3 317.345 2.080 20 5 DEBDHN CC(=O)c1cc(N2CC[C@@H](N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000317362672 145366123 /nfs/dbraw/zinc/36/61/23/145366123.db2.gz ATRJQQNFTRYEEY-CQSZACIVSA-N 0 3 303.362 2.472 20 5 DEBDHN COc1cc(CN[C@H]2CCC[C@H]2CCO)c([N+](=O)[O-])cc1F ZINC000348149979 146224559 /nfs/dbraw/zinc/22/45/59/146224559.db2.gz KFWGKNLOEZGRJB-GWCFXTLKSA-N 0 3 312.341 2.383 20 5 DEBDHN CCOC[C@H](O)CN[C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000349207893 146358763 /nfs/dbraw/zinc/35/87/63/146358763.db2.gz JAAWFOWQDUVBPW-WCQYABFASA-N 0 3 312.366 2.042 20 5 DEBDHN C[C@H](N[C@H]1CCO[C@@H]1C1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000375435470 148372020 /nfs/dbraw/zinc/37/20/20/148372020.db2.gz FFZALNUNUDUFEQ-NZVBXONLSA-N 0 3 319.361 2.079 20 5 DEBDHN COCCN(C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000127102834 401720593 /nfs/dbraw/zinc/72/05/93/401720593.db2.gz FXYJSVZVJGMQAF-UHFFFAOYSA-N 0 3 304.350 2.074 20 5 DEBDHN CN(CC1CCC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000111298574 401708977 /nfs/dbraw/zinc/70/89/77/401708977.db2.gz ZXBLLZKOBGHYAS-HNNXBMFYSA-N 0 3 303.362 2.432 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](CC(C)C)N(C)C)c1 ZINC000114376527 401797610 /nfs/dbraw/zinc/79/76/10/401797610.db2.gz DVWXZLOHZRXITH-LBPRGKRZSA-N 0 3 323.393 2.310 20 5 DEBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000115435018 401828038 /nfs/dbraw/zinc/82/80/38/401828038.db2.gz WLXDBLITFKDEEX-JOZWUWCOSA-N 0 3 317.389 2.408 20 5 DEBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCc3ccncc3)C2)nc1 ZINC000118866502 401913070 /nfs/dbraw/zinc/91/30/70/401913070.db2.gz SOQONTNNHJKNDO-CQSZACIVSA-N 0 3 313.361 2.114 20 5 DEBDHN C[C@@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)N(C)C1CC1 ZINC000134788716 401914529 /nfs/dbraw/zinc/91/45/29/401914529.db2.gz GKTGXBDGJGTRQG-VIFPVBQESA-N 0 3 311.769 2.461 20 5 DEBDHN O=C(NCc1ccccc1[N+](=O)[O-])NC1CCN(C2CC2)CC1 ZINC000045409617 401957227 /nfs/dbraw/zinc/95/72/27/401957227.db2.gz GAZWICKYGPXHEJ-UHFFFAOYSA-N 0 3 318.377 2.021 20 5 DEBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000153005710 402121900 /nfs/dbraw/zinc/12/19/00/402121900.db2.gz PXCMOELMYHRTEC-BBRMVZONSA-N 0 3 319.405 2.326 20 5 DEBDHN O=[N+]([O-])c1cccc(CN(CCCN2CCOCC2)C2CC2)c1 ZINC000153291789 402137548 /nfs/dbraw/zinc/13/75/48/402137548.db2.gz WDCKVNLXGAVUKV-UHFFFAOYSA-N 0 3 319.405 2.282 20 5 DEBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCCOCCO)s2)cc1 ZINC000067697671 402168466 /nfs/dbraw/zinc/16/84/66/402168466.db2.gz HZJKVDDXMQVYQQ-UHFFFAOYSA-N 0 3 322.386 2.422 20 5 DEBDHN CCN(CCO)CCNCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000184544091 402272951 /nfs/dbraw/zinc/27/29/51/402272951.db2.gz GDEFMRARYYWCEK-UHFFFAOYSA-N 0 3 309.410 2.122 20 5 DEBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCN(C)CC1 ZINC000184653310 402288910 /nfs/dbraw/zinc/28/89/10/402288910.db2.gz OCEKEBCLZBTFGN-AWEZNQCLSA-N 0 3 319.405 2.374 20 5 DEBDHN O=[N+]([O-])c1ccn(CCN2CC[C@@H](Cc3ccc(F)cc3)C2)n1 ZINC000176249770 402293986 /nfs/dbraw/zinc/29/39/86/402293986.db2.gz NBZUYQJRNSFDHT-AWEZNQCLSA-N 0 3 318.352 2.495 20 5 DEBDHN Cc1ccc(NCCCNC(=O)[C@@H](N)CC(C)C)c([N+](=O)[O-])c1 ZINC000236682646 402373877 /nfs/dbraw/zinc/37/38/77/402373877.db2.gz WCAFUNIDVRDIIO-ZDUSSCGKSA-N 0 3 322.409 2.195 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000177155915 402376207 /nfs/dbraw/zinc/37/62/07/402376207.db2.gz WAVLJMAYGKQXFR-NWDGAFQWSA-N 0 3 303.362 2.258 20 5 DEBDHN C[C@H](NC(=O)N(C)CCN(C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000185187324 402331922 /nfs/dbraw/zinc/33/19/22/402331922.db2.gz VQGPBJQIRAJEJK-LBPRGKRZSA-N 0 3 320.393 2.391 20 5 DEBDHN CCN(CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000227553032 402331938 /nfs/dbraw/zinc/33/19/38/402331938.db2.gz NJPWHFPSXVYEND-UHFFFAOYSA-N 0 3 311.769 2.462 20 5 DEBDHN Cc1ccc([C@H](C)NC(=O)C[C@@H]2CSCCN2)cc1[N+](=O)[O-] ZINC000237648872 402416821 /nfs/dbraw/zinc/41/68/21/402416821.db2.gz HXJJVQRWFDXRFF-WCQYABFASA-N 0 3 323.418 2.176 20 5 DEBDHN C[C@H]1C[C@H](NC(=O)NCc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000177651569 402424048 /nfs/dbraw/zinc/42/40/48/402424048.db2.gz MGWKFZBVVRSRNQ-AAEUAGOBSA-N 0 3 318.377 2.019 20 5 DEBDHN CCO[C@@H]1C[C@@](CO)(NCc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000186588424 402444855 /nfs/dbraw/zinc/44/48/55/402444855.db2.gz PMWRBABSJSKLIK-ZBFHGGJFSA-N 0 3 308.378 2.251 20 5 DEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCCC2(CC2)C1 ZINC000186979817 402475787 /nfs/dbraw/zinc/47/57/87/402475787.db2.gz ODJKHXYEERUGII-CYBMUJFWSA-N 0 3 306.362 2.211 20 5 DEBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000247376342 402565659 /nfs/dbraw/zinc/56/56/59/402565659.db2.gz LDFDZYCQKMGWHQ-UKQHYNNHSA-N 0 3 317.389 2.407 20 5 DEBDHN CO[C@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000170821100 402528869 /nfs/dbraw/zinc/52/88/69/402528869.db2.gz SBNSEZJPOMZVLR-AWEZNQCLSA-N 0 3 307.350 2.034 20 5 DEBDHN O=[N+]([O-])c1ccc(OCCN[C@@H](CO)c2ccccc2)cc1 ZINC000170846661 402532673 /nfs/dbraw/zinc/53/26/73/402532673.db2.gz GLNYFIXKKOXBLQ-INIZCTEOSA-N 0 3 302.330 2.297 20 5 DEBDHN CN1CCC[C@H](CNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000254949030 402672981 /nfs/dbraw/zinc/67/29/81/402672981.db2.gz AHJZKSVQCJMLMW-WBTMPAOCSA-N 0 3 303.362 2.066 20 5 DEBDHN C[C@@H](CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21)N1CCOCC1 ZINC000192634809 402741737 /nfs/dbraw/zinc/74/17/37/402741737.db2.gz WQFLWHHDEGWUSZ-GUYCJALGSA-N 0 3 319.405 2.283 20 5 DEBDHN CCN1CCC[C@H]1CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000175371381 402800632 /nfs/dbraw/zinc/80/06/32/402800632.db2.gz HDFKHUTYLPDPBP-AWEZNQCLSA-N 0 3 320.393 2.221 20 5 DEBDHN O=C(NC[C@H]1CCCCN1C1CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000278073761 402853569 /nfs/dbraw/zinc/85/35/69/402853569.db2.gz XJESTRYQUSZNPK-CYBMUJFWSA-N 0 3 321.352 2.481 20 5 DEBDHN CN(CCOc1ccccc1[N+](=O)[O-])C[C@@H]1CCCC[C@H]1O ZINC000272594117 402957409 /nfs/dbraw/zinc/95/74/09/402957409.db2.gz UFOPQMYZVIXPLF-DZGCQCFKSA-N 0 3 308.378 2.457 20 5 DEBDHN Cc1c(C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000272370904 402928915 /nfs/dbraw/zinc/92/89/15/402928915.db2.gz AQMUIWNWEALEED-SWLSCSKDSA-N 0 3 303.362 2.069 20 5 DEBDHN COCCN1CC[C@@H](NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000273072641 402968384 /nfs/dbraw/zinc/96/83/84/402968384.db2.gz JRMLMOOKBUUOQG-GFCCVEGCSA-N 0 3 313.785 2.059 20 5 DEBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](CO)COC ZINC000281170316 403059996 /nfs/dbraw/zinc/05/99/96/403059996.db2.gz PTWROPDJWZQSHL-NEPJUHHUSA-N 0 3 314.407 2.062 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)c1 ZINC000268234735 403064713 /nfs/dbraw/zinc/06/47/13/403064713.db2.gz SVYVACOYXMSWME-SMDDNHRTSA-N 0 3 303.362 2.116 20 5 DEBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000268294015 403070902 /nfs/dbraw/zinc/07/09/02/403070902.db2.gz ZVNXOGNCXDUACE-WBMJQRKESA-N 0 3 317.389 2.126 20 5 DEBDHN CN(C)C1(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCC1 ZINC000275962632 403135566 /nfs/dbraw/zinc/13/55/66/403135566.db2.gz KTTSXMDNLPWXKQ-UHFFFAOYSA-N 0 3 316.361 2.290 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N(C)CC1CCN(C)CC1 ZINC000277375165 403210750 /nfs/dbraw/zinc/21/07/50/403210750.db2.gz DKYKWSRNAGBORD-UHFFFAOYSA-N 0 3 321.377 2.017 20 5 DEBDHN Cc1[nH]nc(C(=O)Nc2cc(C)cc(CN(C)C)c2)c1[N+](=O)[O-] ZINC000270393377 403186664 /nfs/dbraw/zinc/18/66/64/403186664.db2.gz SNZICTDLRNRVMR-UHFFFAOYSA-N 0 3 317.349 2.249 20 5 DEBDHN CC[C@@H](CO)N(CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000342647787 403295851 /nfs/dbraw/zinc/29/58/51/403295851.db2.gz UVOOCSMXRAQKMF-HNNXBMFYSA-N 0 3 318.377 2.064 20 5 DEBDHN O=[N+]([O-])c1cccc(CN[C@H](CO)Cc2ccc(F)cc2)c1 ZINC000271200071 403277743 /nfs/dbraw/zinc/27/77/43/403277743.db2.gz IMEXLWIUEWBDMA-HNNXBMFYSA-N 0 3 304.321 2.427 20 5 DEBDHN C[C@H]1[C@H](Nc2ncnc3sc([N+](=O)[O-])cc32)CCCN1C ZINC000342834931 403366699 /nfs/dbraw/zinc/36/66/99/403366699.db2.gz LYSSWQABAGXUIL-WCBMZHEXSA-N 0 3 307.379 2.494 20 5 DEBDHN COc1c(C(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000331054364 403317292 /nfs/dbraw/zinc/31/72/92/403317292.db2.gz JWUNORYTPGPVDD-WCQYABFASA-N 0 3 321.377 2.016 20 5 DEBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCOC[C@@H](C3CCC3)C2)c1 ZINC000292199997 403319761 /nfs/dbraw/zinc/31/97/61/403319761.db2.gz SCSOOJNXYIBMHC-RDJZCZTQSA-N 0 3 320.389 2.377 20 5 DEBDHN CC(=O)N[C@@H](C)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000331152163 403341135 /nfs/dbraw/zinc/34/11/35/403341135.db2.gz XMENZIHZWDSDSW-LBPRGKRZSA-N 0 3 305.378 2.331 20 5 DEBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000285741766 403370409 /nfs/dbraw/zinc/37/04/09/403370409.db2.gz JLELECHNJLEVHF-DOMZBBRYSA-N 0 3 303.362 2.294 20 5 DEBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](C)C1 ZINC000298491365 403395931 /nfs/dbraw/zinc/39/59/31/403395931.db2.gz CRBGDDBVOXJSOK-QWHCGFSZSA-N 0 3 305.378 2.445 20 5 DEBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CC[C@@H]3CCCCO3)C2)nc1 ZINC000331497177 403400074 /nfs/dbraw/zinc/40/00/74/403400074.db2.gz BDKHTTYHUMAQIR-HIFRSBDPSA-N 0 3 320.393 2.435 20 5 DEBDHN Cn1cccc1CN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000331515859 403405112 /nfs/dbraw/zinc/40/51/12/403405112.db2.gz CMVWBCDHJITISA-UONOGXRCSA-N 0 3 303.366 2.403 20 5 DEBDHN CCN1C[C@H](C)N(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1C ZINC000332233400 403523923 /nfs/dbraw/zinc/52/39/23/403523923.db2.gz MWZTZHXHSFERPQ-RYUDHWBXSA-N 0 3 317.393 2.386 20 5 DEBDHN CC(C)CN1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000332238425 403525817 /nfs/dbraw/zinc/52/58/17/403525817.db2.gz QRTXUDFGJIFVND-UHFFFAOYSA-N 0 3 317.393 2.245 20 5 DEBDHN CNC(=O)[C@@H]1CCC[C@@H]1NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000345826456 403499922 /nfs/dbraw/zinc/49/99/22/403499922.db2.gz FXNHTRPOELQTNQ-UMGRQFOVSA-N 0 3 303.362 2.112 20 5 DEBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CCCN(C)[C@H]2C)c1 ZINC000343448906 403595553 /nfs/dbraw/zinc/59/55/53/403595553.db2.gz CVTJOQDGHXMENF-CMPLNLGQSA-N 0 3 307.350 2.276 20 5 DEBDHN Cc1cc(NC(=O)N2CCN(C)CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000340378077 403596716 /nfs/dbraw/zinc/59/67/16/403596716.db2.gz WMCKBIQZADOVSS-GFCCVEGCSA-N 0 3 306.366 2.461 20 5 DEBDHN C[C@@H]1CN[C@@H](C)[C@@H](C)N1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC001354891299 1151951788 /nfs/dbraw/zinc/95/17/88/1151951788.db2.gz BFVKJYPALGPKPR-FRRDWIJNSA-N 0 3 305.378 2.125 20 5 DEBDHN O=C(NCCN1CCCCC1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347321316 403662614 /nfs/dbraw/zinc/66/26/14/403662614.db2.gz XRKZCJUFLUXQMA-UHFFFAOYSA-N 0 3 310.329 2.341 20 5 DEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC[C@H](OCCO)C1 ZINC000347340640 403671651 /nfs/dbraw/zinc/67/16/51/403671651.db2.gz PDXCMNWSYSJRBN-QXSWTLKVSA-N 0 3 320.389 2.471 20 5 DEBDHN CN(C)C(=O)C1(NCc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000295049350 403742831 /nfs/dbraw/zinc/74/28/31/403742831.db2.gz PHZFIGDXKCDINQ-UHFFFAOYSA-N 0 3 305.378 2.476 20 5 DEBDHN C[C@@H](NC1CC1)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000295152928 403776483 /nfs/dbraw/zinc/77/64/83/403776483.db2.gz JRQDAPWGKQQQOK-GFCCVEGCSA-N 0 3 305.378 2.174 20 5 DEBDHN Cc1c(C(=O)N2CCN(C3CC3)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000295344266 403871076 /nfs/dbraw/zinc/87/10/76/403871076.db2.gz MUBZKOALWISRJQ-GFCCVEGCSA-N 0 3 317.389 2.460 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(OCCO)CC1 ZINC000352767949 292296118 /nfs/dbraw/zinc/29/61/18/292296118.db2.gz DTCFZQDSFOIBEK-ZDUSSCGKSA-N 0 3 308.378 2.438 20 5 DEBDHN CN(C)CCN(C)C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000295407703 403908706 /nfs/dbraw/zinc/90/87/06/403908706.db2.gz VCACSAKBTVNFHS-UHFFFAOYSA-N 0 3 319.283 2.247 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCc1ccn(C)n1 ZINC000354666733 403937244 /nfs/dbraw/zinc/93/72/44/403937244.db2.gz FMJFPULSDRTXBT-UHFFFAOYSA-N 0 3 304.350 2.059 20 5 DEBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](N2CCOCC2)[C@@H]1C ZINC000351940090 404021912 /nfs/dbraw/zinc/02/19/12/404021912.db2.gz ZFRUNFFNFCGLLY-JKIFEVAISA-N 0 3 319.405 2.451 20 5 DEBDHN CC1(C)C[C@H](O)CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000295978767 404036175 /nfs/dbraw/zinc/03/61/75/404036175.db2.gz JCKPBYJTXQBSOG-HUUCEWRRSA-N 0 3 308.378 2.111 20 5 DEBDHN C[C@@H]1C[C@H](Nc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CCN1C ZINC000322687813 404087030 /nfs/dbraw/zinc/08/70/30/404087030.db2.gz IPGUQBMALNYGPW-NXEZZACHSA-N 0 3 317.349 2.138 20 5 DEBDHN COC(=O)Cc1ccc(NCCN2CCCCC2)c([N+](=O)[O-])c1 ZINC000296544087 404299030 /nfs/dbraw/zinc/29/90/30/404299030.db2.gz OCYKASXJXZVTPJ-UHFFFAOYSA-N 0 3 321.377 2.208 20 5 DEBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@@H](Oc3ccccc3)C2)n1 ZINC000370031339 404310549 /nfs/dbraw/zinc/31/05/49/404310549.db2.gz ZXHPZCSNHCVKEB-OAHLLOKOSA-N 0 3 316.361 2.335 20 5 DEBDHN CO[C@@H]([C@@H](C)N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000414177347 404536118 /nfs/dbraw/zinc/53/61/18/404536118.db2.gz IGTHURFGDVXTHA-ZETOZRRWSA-N 0 3 321.377 2.325 20 5 DEBDHN O=C1C[C@@H](CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CN1 ZINC000414478337 404647879 /nfs/dbraw/zinc/64/78/79/404647879.db2.gz DRZQIVBMIROKRK-NSHDSACASA-N 0 3 315.329 2.081 20 5 DEBDHN Cc1cc(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n(C)n1 ZINC000342571883 404657502 /nfs/dbraw/zinc/65/75/02/404657502.db2.gz FCAOGHXQNMAMFB-UONOGXRCSA-N 0 3 318.381 2.107 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H]1CSC[C@H]1C ZINC000352790228 404623229 /nfs/dbraw/zinc/62/32/29/404623229.db2.gz DWTFHQTWQPNDBQ-MFKMUULPSA-N 0 3 309.391 2.183 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H]1CSC[C@@H]1C ZINC000352799003 404631467 /nfs/dbraw/zinc/63/14/67/404631467.db2.gz LNAIGUPSZMMTHG-WDEREUQCSA-N 0 3 309.391 2.183 20 5 DEBDHN Cc1ccc(CN(C)C(C)(C)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000414563144 404682574 /nfs/dbraw/zinc/68/25/74/404682574.db2.gz BNQRDQYSKPTVRZ-UHFFFAOYSA-N 0 3 321.421 2.446 20 5 DEBDHN CCc1ccc(C(=O)N2CC[C@@]3(CCN(C)C3)C2)cc1[N+](=O)[O-] ZINC000366562287 404814925 /nfs/dbraw/zinc/81/49/25/404814925.db2.gz VZCFSELDRMOUJV-QGZVFWFLSA-N 0 3 317.389 2.325 20 5 DEBDHN CCn1c(C)nc([N+](=O)[O-])c1N(C)[C@H]1CCN(CC)[C@@H](C)C1 ZINC000360996683 404873134 /nfs/dbraw/zinc/87/31/34/404873134.db2.gz STHQPJJCONWWRA-AAEUAGOBSA-N 0 3 309.414 2.429 20 5 DEBDHN CSc1cccc(C(=O)NCC2(N(C)C)CC2)c1[N+](=O)[O-] ZINC000416307620 405098124 /nfs/dbraw/zinc/09/81/24/405098124.db2.gz LXZSLYZBTHPWPC-UHFFFAOYSA-N 0 3 309.391 2.141 20 5 DEBDHN CN1CC[C@@H]2CCN(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000408277197 405159826 /nfs/dbraw/zinc/15/98/26/405159826.db2.gz NQFLMLNSDIZLLX-QMTHXVAHSA-N 0 3 322.340 2.292 20 5 DEBDHN CN1C[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000425043350 405235938 /nfs/dbraw/zinc/23/59/38/405235938.db2.gz FTMDBPHWBAQGQZ-IINYFYTJSA-N 0 3 323.780 2.414 20 5 DEBDHN CN1C[C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000425048374 405236444 /nfs/dbraw/zinc/23/64/44/405236444.db2.gz NWQQZWMCPJNDLX-IINYFYTJSA-N 0 3 323.780 2.414 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]3CN(C)C[C@H]32)c1 ZINC000425061532 405241255 /nfs/dbraw/zinc/24/12/55/405241255.db2.gz ZJRQQOGMRZKAQH-SWLSCSKDSA-N 0 3 303.362 2.069 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1CN1CCN(C)C[C@H]1C(C)C ZINC000425482954 405297706 /nfs/dbraw/zinc/29/77/06/405297706.db2.gz RBNAAHDDKLJKCG-HNNXBMFYSA-N 0 3 307.394 2.375 20 5 DEBDHN Cc1c(CC(=O)N(C)[C@H]2CCN(C(C)C)C2)cccc1[N+](=O)[O-] ZINC000457087291 405690365 /nfs/dbraw/zinc/69/03/65/405690365.db2.gz JKHWMLHJNKBNJW-HNNXBMFYSA-N 0 3 319.405 2.387 20 5 DEBDHN CC[C@@H]1CN(CCN[C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000494463953 405703331 /nfs/dbraw/zinc/70/33/31/405703331.db2.gz ICHWQYOXVFODAH-XJKSGUPXSA-N 0 3 307.394 2.356 20 5 DEBDHN CC1(C)C[C@@H](N[C@H]2CCC(=O)NC2)c2cc([N+](=O)[O-])ccc21 ZINC000433127090 405873227 /nfs/dbraw/zinc/87/32/27/405873227.db2.gz QYZNEYQGFHQBAO-IINYFYTJSA-N 0 3 303.362 2.185 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1CN1CC[C@H](O)C12CCCC2 ZINC000433015954 405850460 /nfs/dbraw/zinc/85/04/60/405850460.db2.gz ZORDRRZMBNTECW-HNNXBMFYSA-N 0 3 306.362 2.483 20 5 DEBDHN CN(C)C(=O)CCCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000562383715 405999101 /nfs/dbraw/zinc/99/91/01/405999101.db2.gz UCYSBOOSMSNJPE-UHFFFAOYSA-N 0 3 305.378 2.428 20 5 DEBDHN O=C(CN[C@H]1CCC[C@@H]2C[C@@H]21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000459793452 406049324 /nfs/dbraw/zinc/04/93/24/406049324.db2.gz VNDYBAOBTWXSIM-SNPRPXQTSA-N 0 3 315.373 2.262 20 5 DEBDHN COC(=O)Cc1ccc(NC[C@@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC000519863800 406265357 /nfs/dbraw/zinc/26/53/57/406265357.db2.gz DYECZMZHMJKQOY-ZDUSSCGKSA-N 0 3 321.377 2.064 20 5 DEBDHN CNc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(C2CC2)CC1 ZINC000570046898 406339220 /nfs/dbraw/zinc/33/92/20/406339220.db2.gz LPOACHMCAIKFID-UHFFFAOYSA-N 0 3 318.377 2.449 20 5 DEBDHN C[C@@H](CNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])N(C)C1CC1 ZINC000491478742 406601841 /nfs/dbraw/zinc/60/18/41/406601841.db2.gz MTAMEEXEEZZZAW-OHYQPGSNSA-N 0 3 321.352 2.346 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NCCN2CC[C@@H](C)C2)c1 ZINC000549067334 406574444 /nfs/dbraw/zinc/57/44/44/406574444.db2.gz LQJMNEJBZZZJHJ-GFCCVEGCSA-N 0 3 321.377 2.065 20 5 DEBDHN C[C@@H]1CCN(CCNC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000491922966 406778746 /nfs/dbraw/zinc/77/87/46/406778746.db2.gz BLGZXGYKRNAYNM-OGOUPESXSA-N 0 3 321.352 2.205 20 5 DEBDHN CC1(C)CC[C@H]1N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000554522956 406806959 /nfs/dbraw/zinc/80/69/59/406806959.db2.gz SIKHQZUALSBBSI-UONOGXRCSA-N 0 3 303.362 2.478 20 5 DEBDHN C[C@@H](N[C@H](C)[C@@H](C)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000134209502 287062912 /nfs/dbraw/zinc/06/29/12/287062912.db2.gz KXEKLKIKPFDYCF-MGPQQGTHSA-N 0 3 307.394 2.355 20 5 DEBDHN O=C(N1CCc2c1cccc2[N+](=O)[O-])C12CCCN1CCC2 ZINC000415231760 228655126 /nfs/dbraw/zinc/65/51/26/228655126.db2.gz YKQSNGXLNDSXMQ-UHFFFAOYSA-N 0 3 301.346 2.112 20 5 DEBDHN Cn1cnc(CCN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000417313293 229007534 /nfs/dbraw/zinc/00/75/34/229007534.db2.gz VSQQDWVMESUOCB-OAHLLOKOSA-N 0 3 315.377 2.323 20 5 DEBDHN C[C@@H]1CCCN(CCNc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000357320687 424814905 /nfs/dbraw/zinc/81/49/05/424814905.db2.gz DLVLUUCQDJNJIZ-GFCCVEGCSA-N 0 3 315.377 2.682 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1CN1CCN(CC2CC2)CC1 ZINC000430211177 269126628 /nfs/dbraw/zinc/12/66/28/269126628.db2.gz HPJZAZFHHIHWMN-UHFFFAOYSA-N 0 3 305.378 2.131 20 5 DEBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000488753840 269146605 /nfs/dbraw/zinc/14/66/05/269146605.db2.gz SLPGRHMEHNSPQT-MBNYWOFBSA-N 0 3 321.425 2.286 20 5 DEBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000245721434 274218473 /nfs/dbraw/zinc/21/84/73/274218473.db2.gz OTWNESZDVWKJTC-NEPJUHHUSA-N 0 3 320.393 2.027 20 5 DEBDHN CNC(=O)C[C@H](C)N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000453351621 277232787 /nfs/dbraw/zinc/23/27/87/277232787.db2.gz GOHZXHQATHJCHW-IINYFYTJSA-N 0 3 305.378 2.431 20 5 DEBDHN Cc1cccc(C(=O)N2CC[C@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000171443925 278911262 /nfs/dbraw/zinc/91/12/62/278911262.db2.gz VGJYBGGFQNEXQK-ZDUSSCGKSA-N 0 3 303.362 2.214 20 5 DEBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000285741769 279995828 /nfs/dbraw/zinc/99/58/28/279995828.db2.gz JLELECHNJLEVHF-WFASDCNBSA-N 0 3 303.362 2.294 20 5 DEBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000375472614 280374199 /nfs/dbraw/zinc/37/41/99/280374199.db2.gz KWUGWBBVLLHOSQ-NVXWUHKLSA-N 0 3 319.405 2.328 20 5 DEBDHN O=C1C[C@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])[C@@H]2CCCCN12 ZINC000574171924 326130201 /nfs/dbraw/zinc/13/02/01/326130201.db2.gz PJAREVJJZJOCJR-DZKIICNBSA-N 0 3 315.373 2.325 20 5 DEBDHN CS[C@@H]1CN(c2ncc(C)cc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000575822125 326248867 /nfs/dbraw/zinc/24/88/67/326248867.db2.gz ZJEBJVZZBNJHGP-UONOGXRCSA-N 0 3 322.434 2.314 20 5 DEBDHN COc1cc(C[NH2+]C[C@]2(O)CCCC2(C)C)c([N+](=O)[O-])cc1[O-] ZINC000293010855 533885118 /nfs/dbraw/zinc/88/51/18/533885118.db2.gz PTKKFIMAESBGIN-MRXNPFEDSA-N 0 3 324.377 2.340 20 5 DEBDHN CCCCN1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000338437115 520585767 /nfs/dbraw/zinc/58/57/67/520585767.db2.gz DCWMPFGBYLFMLW-LBPRGKRZSA-N 0 3 308.382 2.307 20 5 DEBDHN Cc1cccc(C(=O)N2CC[C@]3(CCN(C)C3)C2)c1[N+](=O)[O-] ZINC000292343294 534597354 /nfs/dbraw/zinc/59/73/54/534597354.db2.gz UYFRNYQPIICMFP-INIZCTEOSA-N 0 3 303.362 2.071 20 5 DEBDHN O=[N+]([O-])c1cccc(-c2ccc(CNC[C@H]3COCCO3)o2)c1 ZINC000338715820 527382406 /nfs/dbraw/zinc/38/24/06/527382406.db2.gz IKNCEAHMIPEKCA-HNNXBMFYSA-N 0 3 318.329 2.360 20 5 DEBDHN CCN1C[C@H](C)N(CCOc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000330860531 527971546 /nfs/dbraw/zinc/97/15/46/527971546.db2.gz UWTYVDRNGDYGLE-KBPBESRZSA-N 0 3 307.394 2.388 20 5 DEBDHN CC[C@@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)N(C)C ZINC000298569285 529273782 /nfs/dbraw/zinc/27/37/82/529273782.db2.gz KHOZGMQPQMPVGA-HNNXBMFYSA-N 0 3 305.378 2.426 20 5 DEBDHN CN(C)CCN(C)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000358121274 535848746 /nfs/dbraw/zinc/84/87/46/535848746.db2.gz LLRLIUNDVIRVCW-UHFFFAOYSA-N 0 3 311.357 2.032 20 5 DEBDHN COC(C)(C)[C@H](C)NCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000932370926 622789606 /nfs/dbraw/zinc/78/96/06/622789606.db2.gz VNFSQMINMOKZFX-NSHDSACASA-N 0 3 309.366 2.245 20 5 DEBDHN C[C@]1(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CN2CCC1CC2 ZINC000892799114 625618429 /nfs/dbraw/zinc/61/84/29/625618429.db2.gz IXCNKZVBSYSXPV-PFWMLDTASA-N 0 3 315.373 2.209 20 5 DEBDHN O=[N+]([O-])c1ccc(CCCCNc2ccncc2CO)cc1 ZINC000892632219 625208994 /nfs/dbraw/zinc/20/89/94/625208994.db2.gz LAEOJKLXKGAOOJ-UHFFFAOYSA-N 0 3 301.346 2.339 20 5 DEBDHN CC(C)N1CC[C@@H](N(C)C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000837186087 650172376 /nfs/dbraw/zinc/17/23/76/650172376.db2.gz MUOZOAWGAOQZGU-GFCCVEGCSA-N 0 3 309.341 2.289 20 5 DEBDHN CN(CCOC(=O)c1ccc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000837577443 650223430 /nfs/dbraw/zinc/22/34/30/650223430.db2.gz DDKJUWOZZCHFSV-UHFFFAOYSA-N 0 3 315.329 2.279 20 5 DEBDHN CCOC[C@H](NCc1ccc(O)c(OC)c1[N+](=O)[O-])C(C)C ZINC000893963255 636072497 /nfs/dbraw/zinc/07/24/97/636072497.db2.gz CKTACLOBDJXSRQ-LBPRGKRZSA-N 0 3 312.366 2.460 20 5 DEBDHN CCOC[C@H]([NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-])C(C)C ZINC000893963255 636072499 /nfs/dbraw/zinc/07/24/99/636072499.db2.gz CKTACLOBDJXSRQ-LBPRGKRZSA-N 0 3 312.366 2.460 20 5 DEBDHN CN(C)Cc1cccc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000047460110 636382504 /nfs/dbraw/zinc/38/25/04/636382504.db2.gz UPXHFAZTRVRTJE-UHFFFAOYSA-N 0 3 314.345 2.491 20 5 DEBDHN O=C(N[C@H]1C[C@H](CNCc2csc([N+](=O)[O-])c2)C1)C1CC1 ZINC000982969995 636561828 /nfs/dbraw/zinc/56/18/28/636561828.db2.gz NFIAWJJGMRVFHE-OTCDBFHCSA-N 0 3 309.391 2.051 20 5 DEBDHN CC(=O)N1C[C@H]2CN(C/C=C\c3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC000895575769 638089343 /nfs/dbraw/zinc/08/93/43/638089343.db2.gz INHISNRLQJGUNC-HSOFZRLZSA-N 0 3 315.373 2.018 20 5 DEBDHN COc1c(O)ccc(CN2CC[C@H]([C@@H]3CCCO3)C2)c1[N+](=O)[O-] ZINC000896061206 638333054 /nfs/dbraw/zinc/33/30/54/638333054.db2.gz YTEMUIRYPPGEBZ-FZMZJTMJSA-N 0 3 322.361 2.310 20 5 DEBDHN CCO[C@@H](CNc1ccc([N+](=O)[O-])c(C(C)=O)c1)CN(C)C ZINC000896116128 638362015 /nfs/dbraw/zinc/36/20/15/638362015.db2.gz PESVZKLUXZWEGW-ZDUSSCGKSA-N 0 3 309.366 2.176 20 5 DEBDHN O=[N+]([O-])c1ccc2cnn(CN3CC[C@@H]([C@H]4CCOC4)C3)c2c1 ZINC000749800255 638683284 /nfs/dbraw/zinc/68/32/84/638683284.db2.gz RAOFNHSSXNATCH-KGLIPLIRSA-N 0 3 316.361 2.260 20 5 DEBDHN O=[N+]([O-])c1ccc2cnn(CN3CC[C@@H]([C@@H]4CCOC4)C3)c2c1 ZINC000749800257 638683315 /nfs/dbraw/zinc/68/33/15/638683315.db2.gz RAOFNHSSXNATCH-ZIAGYGMSSA-N 0 3 316.361 2.260 20 5 DEBDHN C[C@@](CO)(NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000750067793 638707940 /nfs/dbraw/zinc/70/79/40/638707940.db2.gz RTURWZDPTGFTST-IRXDYDNUSA-N 0 3 316.357 2.126 20 5 DEBDHN O=[N+]([O-])c1ccc(N2CCN(C[C@H]3CCCOC3)CC2)cc1 ZINC000761240931 640289634 /nfs/dbraw/zinc/28/96/34/640289634.db2.gz XRBWVRDMPBNORT-CQSZACIVSA-N 0 3 305.378 2.143 20 5 DEBDHN CCS(=O)(=O)C[C@H](C)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897463671 640431992 /nfs/dbraw/zinc/43/19/92/640431992.db2.gz BCZVKBDKKPPRQB-NEPJUHHUSA-N 0 3 314.407 2.111 20 5 DEBDHN Cc1cc(C(=O)NC[C@H](C)N2CCCCC2)c(N)c([N+](=O)[O-])c1 ZINC000729525460 640787943 /nfs/dbraw/zinc/78/79/43/640787943.db2.gz POJPOGXQUAFPLR-LBPRGKRZSA-N 0 3 320.393 2.090 20 5 DEBDHN CCN1C[C@H](C)N(c2ccc([N+](=O)[O-])c3nonc32)C[C@@H]1C ZINC000765635947 640803341 /nfs/dbraw/zinc/80/33/41/640803341.db2.gz OKGXAAWJTLNEJR-UWVGGRQHSA-N 0 3 305.338 2.050 20 5 DEBDHN COc1cc(C[NH2+]C2CC3(C2)CO[C@@H](C)C3)c([N+](=O)[O-])cc1[O-] ZINC000897781176 640930856 /nfs/dbraw/zinc/93/08/56/640930856.db2.gz RQHYOGMEABOIFL-LWOUBBNUSA-N 0 3 322.361 2.356 20 5 DEBDHN Cc1c(CN[C@]23CC(=O)N[C@H]2CCCC3)cccc1[N+](=O)[O-] ZINC000898462203 641668011 /nfs/dbraw/zinc/66/80/11/641668011.db2.gz NXIDAKASKMILCG-GOEBONIOSA-N 0 3 303.362 2.194 20 5 DEBDHN O=[N+]([O-])c1ccc(CN(CCO)C2CCOCC2)cc1Cl ZINC000783719124 643041494 /nfs/dbraw/zinc/04/14/94/643041494.db2.gz ZHKDMWOWLQZXBG-UHFFFAOYSA-N 0 3 314.769 2.222 20 5 DEBDHN COc1cc([C@@H](C)NCCOC[C@H]2CCCO2)cc([N+](=O)[O-])c1 ZINC000903098756 643248648 /nfs/dbraw/zinc/24/86/48/643248648.db2.gz UDBYYVYLQHRYPJ-IUODEOHRSA-N 0 3 324.377 2.450 20 5 DEBDHN CCC(=O)N1CC[C@@H](N[C@H](C)c2cc(OC)cc([N+](=O)[O-])c2)C1 ZINC000903113523 643256082 /nfs/dbraw/zinc/25/60/82/643256082.db2.gz VGIOBONVROCCRL-DGCLKSJQSA-N 0 3 321.377 2.265 20 5 DEBDHN CCO[C@@H]1COCC[C@H]1N[C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903154189 643269558 /nfs/dbraw/zinc/26/95/58/643269558.db2.gz UJYVFBVHTJQFSI-HFBAOOFYSA-N 0 3 324.377 2.448 20 5 DEBDHN C[C@@H](NC(=O)Cc1cccc(F)c1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000867306482 650837651 /nfs/dbraw/zinc/83/76/51/650837651.db2.gz MMAPYRNDWGVKLL-LLVKDONJSA-N 0 3 321.352 2.043 20 5 DEBDHN COc1ccc(Br)c(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813103122 646728352 /nfs/dbraw/zinc/72/83/52/646728352.db2.gz ODIWNXAWSYRNBY-ZETCQYMHSA-N 0 3 318.123 2.280 20 5 DEBDHN Cc1oc(-c2cccs2)nc1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813103404 646729071 /nfs/dbraw/zinc/72/90/71/646729071.db2.gz PVSRGLJUYZPKKK-QMMMGPOBSA-N 0 3 310.331 2.462 20 5 DEBDHN CSc1nccn1-c1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813110392 646730692 /nfs/dbraw/zinc/73/06/92/646730692.db2.gz ZPFDUOPRPHGKQP-JTQLQIEISA-N 0 3 321.358 2.416 20 5 DEBDHN CC(COC(=O)c1cc(Cl)nc(N2CCCC2)c1)[N+](=O)[O-] ZINC000813113242 646733296 /nfs/dbraw/zinc/73/32/96/646733296.db2.gz CIHLICIFXAJAHJ-VIFPVBQESA-N 0 3 313.741 2.157 20 5 DEBDHN COc1ccc(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1O ZINC000819177240 647601935 /nfs/dbraw/zinc/60/19/35/647601935.db2.gz LOHFAMQQKPGFCI-OAHLLOKOSA-N 0 3 318.329 2.132 20 5 DEBDHN Cc1ccc([C@H](C)NC(=O)N[C@H]2CCN(C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000921336872 648292048 /nfs/dbraw/zinc/29/20/48/648292048.db2.gz YXXMVXWOPTZWSF-SCRDCRAPSA-N 0 3 320.393 2.356 20 5 DEBDHN C[C@@H]1CCN(CCNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000826721456 648914962 /nfs/dbraw/zinc/91/49/62/648914962.db2.gz GHIVFFZYIUVOGF-SNVBAGLBSA-N 0 3 311.769 2.320 20 5 DEBDHN CCn1ncc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])n1 ZINC000845884319 651292004 /nfs/dbraw/zinc/29/20/04/651292004.db2.gz XPUYTRQBGDWYFA-NOZJJQNGSA-N 0 3 322.296 2.000 20 5 DEBDHN COc1cncc(CNCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000850131163 651837351 /nfs/dbraw/zinc/83/73/51/651837351.db2.gz QVMLMHGXFSOHGW-UHFFFAOYSA-N 0 3 303.318 2.167 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000928435571 693778220 /nfs/dbraw/zinc/77/82/20/693778220.db2.gz HLQPQZVLXWBEPU-QWHCGFSZSA-N 0 3 305.378 2.342 20 5 DEBDHN C[C@@H]1[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CCN1C ZINC000928439344 693779859 /nfs/dbraw/zinc/77/98/59/693779859.db2.gz NREOHMSHIMAGHP-QMTHXVAHSA-N 0 3 323.368 2.220 20 5 DEBDHN COc1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1Br ZINC000860776989 685960047 /nfs/dbraw/zinc/96/00/47/685960047.db2.gz IMTBUFSGWWXYSV-SSDOTTSWSA-N 0 3 318.123 2.280 20 5 DEBDHN Cc1cncn1CC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000860854839 685968855 /nfs/dbraw/zinc/96/88/55/685968855.db2.gz KOHUPGVVRYQTGO-NHYWBVRUSA-N 0 3 321.308 2.280 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000930318097 694135027 /nfs/dbraw/zinc/13/50/27/694135027.db2.gz ZSPOYBQHRLIBCH-TZMCWYRMSA-N 0 3 318.377 2.379 20 5 DEBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@H]1CCC2(COC2)O1 ZINC000930438421 694162254 /nfs/dbraw/zinc/16/22/54/694162254.db2.gz ADSGFFMBONJWLH-CQSZACIVSA-N 0 3 306.362 2.017 20 5 DEBDHN CC(COC(=O)c1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1)[N+](=O)[O-] ZINC000870378878 688552685 /nfs/dbraw/zinc/55/26/85/688552685.db2.gz ZECFXKSIPZQDTQ-RWMBFGLXSA-N 0 3 322.361 2.122 20 5 DEBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000871764314 688863130 /nfs/dbraw/zinc/86/31/30/688863130.db2.gz FSAKINZVCWPMGG-KBPBESRZSA-N 0 3 322.340 2.434 20 5 DEBDHN CC(=O)N1CCC(N[C@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872017521 688913750 /nfs/dbraw/zinc/91/37/50/688913750.db2.gz AZMLIZUXJBBPOU-SNVBAGLBSA-N 0 3 309.341 2.395 20 5 DEBDHN C[C@H](NC[C@H](C)N1CCN(C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872034957 688917166 /nfs/dbraw/zinc/91/71/66/688917166.db2.gz SKBDJBHPIIXEOT-STQMWFEESA-N 0 3 324.400 2.020 20 5 DEBDHN COC[C@@](C)(O)CN[C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872036450 688917933 /nfs/dbraw/zinc/91/79/33/688917933.db2.gz SAGJQPMVTHSBQR-YGRLFVJLSA-N 0 3 314.407 2.365 20 5 DEBDHN Cc1c(CNc2cc3n(n2)CCN(C)C3)cccc1[N+](=O)[O-] ZINC000873152376 689171828 /nfs/dbraw/zinc/17/18/28/689171828.db2.gz NCBLISHZTXGQCT-UHFFFAOYSA-N 0 3 301.350 2.157 20 5 DEBDHN C[C@@](CO)(NC[C@@H]1CC2(CCC2)CO1)c1cccc([N+](=O)[O-])c1 ZINC000879272203 690607683 /nfs/dbraw/zinc/60/76/83/690607683.db2.gz MFORFPLVTMTHJS-HOTGVXAUSA-N 0 3 320.389 2.351 20 5 DEBDHN COc1cc(C[NH2+]C2CCC3(COC3)CC2)c([N+](=O)[O-])cc1[O-] ZINC000883391962 691495685 /nfs/dbraw/zinc/49/56/85/691495685.db2.gz XFRURBROCMHOIH-UHFFFAOYSA-N 0 3 322.361 2.358 20 5 DEBDHN C[C@@H]1C[C@@]2(CC[C@H](CNCc3ccccc3[N+](=O)[O-])O2)CO1 ZINC000886334388 692059634 /nfs/dbraw/zinc/05/96/34/692059634.db2.gz WFCYLZKVNRKEFU-XPKDYRNWSA-N 0 3 306.362 2.411 20 5 DEBDHN COC[C@H](NCc1ccc([N+](=O)[O-])cc1F)[C@H]1CCCOC1 ZINC000886357488 692065714 /nfs/dbraw/zinc/06/57/14/692065714.db2.gz HUSRSGNXFFKLRV-WFASDCNBSA-N 0 3 312.341 2.265 20 5 DEBDHN COC[C@@H](NCc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCCOC1 ZINC000886916077 692230046 /nfs/dbraw/zinc/23/00/46/692230046.db2.gz NZWWLDLWFDQTGK-DZGCQCFKSA-N 0 3 324.377 2.135 20 5 DEBDHN CCOc1cc(NC(=O)N[C@@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000888836138 692611751 /nfs/dbraw/zinc/61/17/51/692611751.db2.gz NFRVZXJOABFRCZ-GFCCVEGCSA-N 0 3 322.365 2.209 20 5 DEBDHN COc1cc(C[NH2+][C@H]2C[C@@H]3[C@H](C2)C3(F)F)c([N+](=O)[O-])cc1[O-] ZINC001333307679 1150030739 /nfs/dbraw/zinc/03/07/39/1150030739.db2.gz QCAOAWWYXYLKNP-ILWJIGKKSA-N 0 3 314.288 2.442 20 5 DEBDHN Cc1ccc(Cn2cc(CNCC3CC3)nn2)cc1[N+](=O)[O-] ZINC001333533438 1150060590 /nfs/dbraw/zinc/06/05/90/1150060590.db2.gz NPJJOHBSLGYGML-UHFFFAOYSA-N 0 3 301.350 2.043 20 5 DEBDHN C[C@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)[C@@H](C)CN1C ZINC000611713172 719188581 /nfs/dbraw/zinc/18/85/81/719188581.db2.gz ZARQYXSQFVXARZ-QWRGUYRKSA-N 0 3 301.350 2.067 20 5 DEBDHN N=C(N)N(c1ccc(F)cc1)c1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001167993382 779210741 /nfs/dbraw/zinc/21/07/41/779210741.db2.gz XGANPAXCMZKZIS-UHFFFAOYSA-N 0 3 315.308 2.369 20 5 DEBDHN COc1c(O)ccc(CN2CCN(C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC001333667886 1150076256 /nfs/dbraw/zinc/07/62/56/1150076256.db2.gz XORUHXRLLMXBFM-UHFFFAOYSA-N 0 3 323.393 2.225 20 5 DEBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCN(Cc3ccccc3F)CC2)C1 ZINC001169028505 785008038 /nfs/dbraw/zinc/00/80/38/785008038.db2.gz SSBOWLSGWOXVTF-ZBFHGGJFSA-N 0 3 321.396 2.389 20 5 DEBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCN(c3ccc(Cl)cn3)CC2)C1 ZINC001169039656 785012809 /nfs/dbraw/zinc/01/28/09/785012809.db2.gz RWSWIWNQHKRGAE-TZMCWYRMSA-N 0 3 324.812 2.302 20 5 DEBDHN CCN(CC)CC(=O)N(C)CCCNc1ccccc1[N+](=O)[O-] ZINC001109452334 785884110 /nfs/dbraw/zinc/88/41/10/785884110.db2.gz JJUXQGPBULSSPR-UHFFFAOYSA-N 0 3 322.409 2.197 20 5 DEBDHN COc1c([O-])ccc(C[NH2+][C@@H](C)C[C@@H]2CCOC2)c1[N+](=O)[O-] ZINC001333749746 1150086826 /nfs/dbraw/zinc/08/68/26/1150086826.db2.gz BZYPQNMBROQCAQ-QWRGUYRKSA-N 0 3 310.350 2.214 20 5 DEBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)C12CCC(CC1)C2 ZINC001130291805 787334486 /nfs/dbraw/zinc/33/44/86/787334486.db2.gz QSJOXLFRTCJXCN-UHFFFAOYSA-N 0 3 317.389 2.381 20 5 DEBDHN CC(C)(C(=O)NCCNCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001132671088 788162123 /nfs/dbraw/zinc/16/21/23/788162123.db2.gz IMIMDIKYWUEUOP-UHFFFAOYSA-N 0 3 305.378 2.237 20 5 DEBDHN Cc1cc(NCCCNC(=O)CN(C)C(C)C)ccc1[N+](=O)[O-] ZINC001094456554 792931908 /nfs/dbraw/zinc/93/19/08/792931908.db2.gz JELVFRZMBSWZJR-UHFFFAOYSA-N 0 3 322.409 2.162 20 5 DEBDHN CCN(C)C(C)(C)C(=O)NCCCNc1ccccc1[N+](=O)[O-] ZINC001094640148 793035745 /nfs/dbraw/zinc/03/57/45/793035745.db2.gz TZYHWTNPNMEQOM-UHFFFAOYSA-N 0 3 322.409 2.243 20 5 DEBDHN CCN(CC)CC(=O)N(C)CCNc1cc(C)ccc1[N+](=O)[O-] ZINC001101628442 793280511 /nfs/dbraw/zinc/28/05/11/793280511.db2.gz JTCHLMHNYSCVAI-UHFFFAOYSA-N 0 3 322.409 2.115 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2C[C@@H]3COC[C@@H]3C2)c1F ZINC001173180488 793620330 /nfs/dbraw/zinc/62/03/30/793620330.db2.gz LDLOAFPKDMTKOH-SDDRHHMPSA-N 0 3 324.352 2.252 20 5 DEBDHN COc1nccc(CN[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001173233481 793645894 /nfs/dbraw/zinc/64/58/94/793645894.db2.gz JFQZFNDJDPAZOJ-NSHDSACASA-N 0 3 302.334 2.114 20 5 DEBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC001116521745 794961856 /nfs/dbraw/zinc/96/18/56/794961856.db2.gz VXQQHYTVDXFQAT-LLVKDONJSA-N 0 3 318.377 2.017 20 5 DEBDHN CCN1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2NC)C(C)(C)C1 ZINC001178861347 795022353 /nfs/dbraw/zinc/02/23/53/795022353.db2.gz VTTWDLRORATEOO-AWEZNQCLSA-N 0 3 320.393 2.097 20 5 DEBDHN CN(C)c1ccccc1CNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001120487617 795471069 /nfs/dbraw/zinc/47/10/69/795471069.db2.gz BYZIMADJJXCYAB-KRWDZBQOSA-N 0 3 315.373 2.484 20 5 DEBDHN Cn1ncc([N+](=O)[O-])c1N1CCN[C@@H](c2ccc(Cl)cc2)C1 ZINC001187931796 796604119 /nfs/dbraw/zinc/60/41/19/796604119.db2.gz PMSRGZSTWMYGBS-GFCCVEGCSA-N 0 3 321.768 2.133 20 5 DEBDHN NCc1cn(-c2cc(Cl)nc3ccc([N+](=O)[O-])cc32)cn1 ZINC001154910834 797637851 /nfs/dbraw/zinc/63/78/51/797637851.db2.gz OLDJPSVBWJOSHQ-UHFFFAOYSA-N 0 3 303.709 2.441 20 5 DEBDHN Cc1cc(-n2cnc(CN)c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001154910962 797638422 /nfs/dbraw/zinc/63/84/22/797638422.db2.gz SJUFPWCRSNNJAR-UHFFFAOYSA-N 0 3 310.317 2.005 20 5 DEBDHN CCN1C[C@H](NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC001156827451 798089317 /nfs/dbraw/zinc/08/93/17/798089317.db2.gz FDXHLUSUSINTAZ-AWEZNQCLSA-N 0 3 321.377 2.064 20 5 DEBDHN CN1CCC(N(c2cc([N+](=O)[O-])cc[n+]2[O-])C2CCCC2)CC1 ZINC001158485194 798415148 /nfs/dbraw/zinc/41/51/48/798415148.db2.gz JEGWECVOYQZREZ-UHFFFAOYSA-N 0 3 320.393 2.071 20 5 DEBDHN NC(=O)CC1(NCc2cc(F)ccc2[N+](=O)[O-])CCCCC1 ZINC000934822928 800466793 /nfs/dbraw/zinc/46/67/93/800466793.db2.gz CPVIJZIQCOHWRV-UHFFFAOYSA-N 0 3 309.341 2.402 20 5 DEBDHN O=[N+]([O-])c1ccc2nc(O[C@@H]3CCC[C@@H]4C[NH2+]C[C@@H]43)[n-]c2c1 ZINC001218144114 802147308 /nfs/dbraw/zinc/14/73/08/802147308.db2.gz BEJLJQVEEZDANM-OLUVUFQESA-N 0 3 302.334 2.238 20 5 DEBDHN O=[N+]([O-])c1ccc2[n-]c(O[C@@H]3CCC[C@@H]4C[NH2+]C[C@@H]43)nc2c1 ZINC001218144114 802147312 /nfs/dbraw/zinc/14/73/12/802147312.db2.gz BEJLJQVEEZDANM-OLUVUFQESA-N 0 3 302.334 2.238 20 5 DEBDHN COC(=O)c1cnc(O[C@@H]2CCCN(C(C)C)C2)c([N+](=O)[O-])c1 ZINC001233861729 802228348 /nfs/dbraw/zinc/22/83/48/802228348.db2.gz KOOSHLNFMTVCKP-GFCCVEGCSA-N 0 3 323.349 2.028 20 5 DEBDHN O=[N+]([O-])c1ccc(CO[C@H]2CC[C@@H](N3CCOCC3)CC2)cn1 ZINC001224115945 802837805 /nfs/dbraw/zinc/83/78/05/802837805.db2.gz WXLRFUTVTLIBAC-GASCZTMLSA-N 0 3 321.377 2.150 20 5 DEBDHN COC(=O)c1ccc([N+](=O)[O-])c(O[C@@H]2CCN(C(C)C)C2)c1 ZINC001227043224 803191985 /nfs/dbraw/zinc/19/19/85/803191985.db2.gz BNOARMAWTWGKJM-GFCCVEGCSA-N 0 3 308.334 2.243 20 5 DEBDHN CCN1CC[C@@H](Oc2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC001227218863 803217285 /nfs/dbraw/zinc/21/72/85/803217285.db2.gz DJRQLKVZCFDROC-LLVKDONJSA-N 0 3 303.318 2.322 20 5 DEBDHN CCN1CCC[C@H](Oc2ccc(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC001227298123 803228215 /nfs/dbraw/zinc/22/82/15/803228215.db2.gz KNMSZKXQBXLWLS-LBPRGKRZSA-N 0 3 308.334 2.245 20 5 DEBDHN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC001466796271 1059537993 /nfs/dbraw/zinc/53/79/93/1059537993.db2.gz LXDMQZIKGSOCDK-NSHDSACASA-N 0 3 321.352 2.423 20 5 DEBDHN CC1(C)CCCN(CCNC(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001626267580 1078252157 /nfs/dbraw/zinc/25/21/57/1078252157.db2.gz KWROTUFIOUQWOR-UHFFFAOYSA-N 0 3 320.393 2.029 20 5 DEBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN(C(C)C)C1 ZINC001633592248 1078408940 /nfs/dbraw/zinc/40/89/40/1078408940.db2.gz GIBJFBCUTSWMCE-LBPRGKRZSA-N 0 3 320.393 2.239 20 5 DEBDHN CCN1CCC[C@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC001639117975 1078595261 /nfs/dbraw/zinc/59/52/61/1078595261.db2.gz DTCOURVFMPJWJI-RNVIBTMRSA-N 0 3 303.362 2.209 20 5 DEBDHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)C1CCCC1 ZINC001267339087 1078777166 /nfs/dbraw/zinc/77/71/66/1078777166.db2.gz OIQKWKUVVOIFDU-UHFFFAOYSA-N 0 3 305.378 2.333 20 5 DEBDHN C[C@H]1CCCC[N@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001590253562 1076600570 /nfs/dbraw/zinc/60/05/70/1076600570.db2.gz GKXYTMQETPFIGH-NSHDSACASA-N 0 3 316.365 2.397 20 5 DEBDHN C[C@H]1CCCC[N@@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001590253562 1076600573 /nfs/dbraw/zinc/60/05/73/1076600573.db2.gz GKXYTMQETPFIGH-NSHDSACASA-N 0 3 316.365 2.397 20 5 DEBDHN C[C@H]1CCCC[N@H+](Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001590253562 1076600575 /nfs/dbraw/zinc/60/05/75/1076600575.db2.gz GKXYTMQETPFIGH-NSHDSACASA-N 0 3 316.365 2.397 20 5 DEBDHN C[C@H]1CCCC[N@@H+](Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001590253562 1076600580 /nfs/dbraw/zinc/60/05/80/1076600580.db2.gz GKXYTMQETPFIGH-NSHDSACASA-N 0 3 316.365 2.397 20 5 DEBDHN O=C(Nc1cc([N+](=O)[O-])n[nH]1)C(C[C@H]1CCCO1)C(F)(F)F ZINC001651837281 1079835918 /nfs/dbraw/zinc/83/59/18/1079835918.db2.gz VCJHFZXSBPPRTP-RNFRBKRXSA-N 0 3 322.243 2.004 20 5 DEBDHN CC(C)[C@H](NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)(C)O ZINC001654398192 1079963494 /nfs/dbraw/zinc/96/34/94/1079963494.db2.gz NNLUMGSDSWTJJP-ZDUSSCGKSA-N 0 3 311.338 2.388 20 5 DEBDHN COc1cc(CNCC2([NH+](C)C)CCCC2)c([N+](=O)[O-])cc1[O-] ZINC001656666821 1080112573 /nfs/dbraw/zinc/11/25/73/1080112573.db2.gz ZVKOPJACIWKDGW-UHFFFAOYSA-N 0 3 323.393 2.273 20 5 DEBDHN COc1c([O-])ccc(C[NH2+]C2(CO)CCCCC2)c1[N+](=O)[O-] ZINC001657693349 1080183357 /nfs/dbraw/zinc/18/33/57/1080183357.db2.gz MLGQCAGBCKTZAZ-UHFFFAOYSA-N 0 3 310.350 2.094 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCn1ccnc1C ZINC001648968395 1081971915 /nfs/dbraw/zinc/97/19/15/1081971915.db2.gz AWPAEONGHKYVIP-UHFFFAOYSA-N 0 3 304.350 2.288 20 5 DEBDHN Cc1cc(Cl)c(NC(=N)N2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC001168746394 1086224315 /nfs/dbraw/zinc/22/43/15/1086224315.db2.gz NNAZAKXWIDJPJU-UHFFFAOYSA-N 0 3 311.773 2.151 20 5 DEBDHN C/C=C(/C)C(=O)N(CC)CCNCc1ccc([N+](=O)[O-])cc1 ZINC001273318072 1091026602 /nfs/dbraw/zinc/02/66/02/1091026602.db2.gz NDHPXOJEXVNUTE-PQMHYQBVSA-N 0 3 305.378 2.499 20 5 DEBDHN O=[N+]([O-])c1ccc(N2CCC(NCc3cccnn3)CC2)cc1 ZINC001254465518 1143129068 /nfs/dbraw/zinc/12/90/68/1143129068.db2.gz AOJPVORAGFKMLS-UHFFFAOYSA-N 0 3 313.361 2.143 20 5 DEBDHN O=[N+]([O-])c1ccc(N2CCC(N3CC4(CC(O)C4)C3)CC2)cc1 ZINC001254475154 1143133973 /nfs/dbraw/zinc/13/39/73/1143133973.db2.gz BAJPJQTVLYRYSG-UHFFFAOYSA-N 0 3 317.389 2.020 20 5 DEBDHN NCc1ccc2c(n1)N([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)CCC2 ZINC001254579663 1143260585 /nfs/dbraw/zinc/26/05/85/1143260585.db2.gz UXXDDAHCHWHADT-KRWDZBQOSA-N 0 3 324.384 2.369 20 5 DEBDHN Cc1cncc([N+](=O)[O-])c1NC1CCN(CCOC(C)C)CC1 ZINC001255504949 1143719234 /nfs/dbraw/zinc/71/92/34/1143719234.db2.gz RPFFHWVYYVYRJA-UHFFFAOYSA-N 0 3 322.409 2.021 20 5 DEBDHN COc1nc(Cl)c(CNCCc2ccc([N+](=O)[O-])cc2)n1C ZINC001318339991 1147813835 /nfs/dbraw/zinc/81/38/35/1147813835.db2.gz FPHJPCBXKAXRDO-UHFFFAOYSA-N 0 3 324.768 2.323 20 5 DEBDHN CS[C@H]1CN(C(=O)c2cc(C)ccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000271145785 295671059 /nfs/dbraw/zinc/67/10/59/295671059.db2.gz PQXCVYVXESSNKM-KGLIPLIRSA-N 0 3 323.418 2.021 20 5 DEBDHN C[C@@H]1CN(C2CCOCC2)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000278753867 214376966 /nfs/dbraw/zinc/37/69/66/214376966.db2.gz VCLACHTWBWMFKY-CQSZACIVSA-N 0 3 319.405 2.280 20 5 DEBDHN CCNC(=O)N1CC[C@@H](N[C@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000181336235 199282324 /nfs/dbraw/zinc/28/23/24/199282324.db2.gz HMVBUXYXRRZWSJ-UKRRQHHQSA-N 0 3 320.393 2.439 20 5 DEBDHN CN1CC[C@@H]2CCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000296817070 529797097 /nfs/dbraw/zinc/79/70/97/529797097.db2.gz QPFLXTZSPJLVTE-YGRLFVJLSA-N 0 3 323.780 2.414 20 5 DEBDHN C[C@H]1[C@H](N2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000287081382 219300825 /nfs/dbraw/zinc/30/08/25/219300825.db2.gz KNYLQUWNWUZWAE-XHDPSFHLSA-N 0 3 321.352 2.433 20 5 DEBDHN COc1ccc(CNC[C@@H](O)c2ccsc2)cc1[N+](=O)[O-] ZINC000152553988 186084558 /nfs/dbraw/zinc/08/45/58/186084558.db2.gz BXPMDURWIOPJLC-CYBMUJFWSA-N 0 3 308.359 2.488 20 5 DEBDHN CS[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2C)C[C@H]1N(C)C ZINC000270457725 186395676 /nfs/dbraw/zinc/39/56/76/186395676.db2.gz KFQUCDZZPOMSDD-ZIAGYGMSSA-N 0 3 323.418 2.021 20 5 DEBDHN CC(C)[C@@H](C)N(C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000030150454 354120048 /nfs/dbraw/zinc/12/00/48/354120048.db2.gz PCFNPERODVTBDO-GFCCVEGCSA-N 0 3 305.378 2.460 20 5 DEBDHN CC(=O)c1ccc(Nc2cnn(CCN(C)C)c2)c([N+](=O)[O-])c1 ZINC000057854549 354582780 /nfs/dbraw/zinc/58/27/80/354582780.db2.gz WRCBBQKYPHEDAI-UHFFFAOYSA-N 0 3 317.349 2.299 20 5 DEBDHN C[C@@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCCC1 ZINC000058842274 354599579 /nfs/dbraw/zinc/59/95/79/354599579.db2.gz MYUSLNWMNGCNPR-NSHDSACASA-N 0 3 316.361 2.290 20 5 DEBDHN CN1CCN(CCCCNc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000075669920 355100958 /nfs/dbraw/zinc/10/09/58/355100958.db2.gz UJGTUFDCMIJWQS-UHFFFAOYSA-N 0 3 310.373 2.173 20 5 DEBDHN CCN1CCCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000087331860 355509065 /nfs/dbraw/zinc/50/90/65/355509065.db2.gz TUVUSLFOPIOERR-UHFFFAOYSA-N 0 3 305.378 2.082 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(NCCCCN2CCN(C)CC2)c1 ZINC000088700759 355518078 /nfs/dbraw/zinc/51/80/78/355518078.db2.gz MFDORRYUHOKBNT-UHFFFAOYSA-N 0 3 306.410 2.343 20 5 DEBDHN C[C@H](C[S@@](C)=O)N(C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000126334461 355816432 /nfs/dbraw/zinc/81/64/32/355816432.db2.gz PWSWKLNCALJNLQ-GTJPDFRWSA-N 0 3 314.407 2.063 20 5 DEBDHN CCOC(=O)C[C@H](C)N(C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000182630786 356134137 /nfs/dbraw/zinc/13/41/37/356134137.db2.gz JAXRJCXEWUAWFA-LBPRGKRZSA-N 0 3 310.350 2.247 20 5 DEBDHN CCN(C)CCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000080256183 192018437 /nfs/dbraw/zinc/01/84/37/192018437.db2.gz MCCNHDSIMPQQBS-UHFFFAOYSA-N 0 3 319.283 2.295 20 5 DEBDHN CCn1nc(C)c([N+](=O)[O-])c1N1C[C@@H](N2CCCC2)C[C@H]1C ZINC000588071908 357392122 /nfs/dbraw/zinc/39/21/22/357392122.db2.gz UQHAZJPMESQJLM-YPMHNXCESA-N 0 3 307.398 2.183 20 5 DEBDHN CC[C@](C)(CNCc1cc2c(cc1[N+](=O)[O-])OCCO2)OC ZINC000590659212 357573979 /nfs/dbraw/zinc/57/39/79/357573979.db2.gz YXCNGXLFNACRBL-OAHLLOKOSA-N 0 3 310.350 2.271 20 5 DEBDHN CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@@H]1CCCN1C ZINC000591479460 357730762 /nfs/dbraw/zinc/73/07/62/357730762.db2.gz LNUJNIBEVWPNQR-LBPRGKRZSA-N 0 3 304.350 2.262 20 5 DEBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1NCC1(C)C ZINC000591672917 357750138 /nfs/dbraw/zinc/75/01/38/357750138.db2.gz SYQWELIWOFPDEZ-CQSZACIVSA-N 0 3 305.378 2.330 20 5 DEBDHN CNc1ccc([N+](=O)[O-])cc1NC(=O)CC1CCN(C)CC1 ZINC000592826662 357951175 /nfs/dbraw/zinc/95/11/75/357951175.db2.gz GNXSMMSFYGVHBX-UHFFFAOYSA-N 0 3 306.366 2.307 20 5 DEBDHN CC(C)N(CCN(C)C)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593106327 358012256 /nfs/dbraw/zinc/01/22/56/358012256.db2.gz PLYOJQAFKVOVNX-UHFFFAOYSA-N 0 3 311.357 2.075 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)C1CCOCC1 ZINC000179856836 199088792 /nfs/dbraw/zinc/08/87/92/199088792.db2.gz OLBIKCSOMVWDNZ-GFCCVEGCSA-N 0 3 321.377 2.246 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)C1CCOCC1 ZINC000179856824 199088804 /nfs/dbraw/zinc/08/88/04/199088804.db2.gz OLBIKCSOMVWDNZ-LBPRGKRZSA-N 0 3 321.377 2.246 20 5 DEBDHN CNc1ccc(C(=O)N(C)CCN2CCCCC2)cc1[N+](=O)[O-] ZINC000593882075 358164042 /nfs/dbraw/zinc/16/40/42/358164042.db2.gz BLWDJTUCKOLIBS-UHFFFAOYSA-N 0 3 320.393 2.194 20 5 DEBDHN O=[N+]([O-])c1cc2c(cc1CNCCc1ccoc1)OCCO2 ZINC000594982528 358373340 /nfs/dbraw/zinc/37/33/40/358373340.db2.gz UZUATVWIHUSUME-UHFFFAOYSA-N 0 3 304.302 2.291 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC1CCN(OC)CC1 ZINC000595043546 358382059 /nfs/dbraw/zinc/38/20/59/358382059.db2.gz HNNMBEHRHOFVIY-LLVKDONJSA-N 0 3 309.366 2.280 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@]1(O)CCSC1 ZINC000595011009 358377762 /nfs/dbraw/zinc/37/77/62/358377762.db2.gz FTQXUDMQEXGHGS-HZMBPMFUSA-N 0 3 312.391 2.122 20 5 DEBDHN CC1(C)C[C@H](N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CO1 ZINC000595370821 358433030 /nfs/dbraw/zinc/43/30/30/358433030.db2.gz JPSZBTJZWYVWNS-YPMHNXCESA-N 0 3 306.366 2.044 20 5 DEBDHN C[C@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)[C@H]1CCO ZINC000595704828 358529195 /nfs/dbraw/zinc/52/91/95/358529195.db2.gz WFMYHOPZYWUUTP-BBRMVZONSA-N 0 3 308.378 2.457 20 5 DEBDHN O=c1[n-]ccc(N2CCC(C[NH+]3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000596099991 358611086 /nfs/dbraw/zinc/61/10/86/358611086.db2.gz YIISOZGSZKQRMP-UHFFFAOYSA-N 0 3 320.393 2.398 20 5 DEBDHN O=c1[n-]ccc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000596170680 358629235 /nfs/dbraw/zinc/62/92/35/358629235.db2.gz VARVRYLREHKVCG-DGCLKSJQSA-N 0 3 318.377 2.149 20 5 DEBDHN O=c1[n-]ccc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000596170680 358629238 /nfs/dbraw/zinc/62/92/38/358629238.db2.gz VARVRYLREHKVCG-DGCLKSJQSA-N 0 3 318.377 2.149 20 5 DEBDHN CCCN1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000598343873 359169906 /nfs/dbraw/zinc/16/99/06/359169906.db2.gz XCUBIBQYUJYPNH-ZDUSSCGKSA-N 0 3 305.378 2.426 20 5 DEBDHN COC(=O)c1ccnc(NC2CCN(C(C)C)CC2)c1[N+](=O)[O-] ZINC000598590211 359253913 /nfs/dbraw/zinc/25/39/13/359253913.db2.gz RTKPFRYLPBWPII-UHFFFAOYSA-N 0 3 322.365 2.061 20 5 DEBDHN CCn1nncc1CN[C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000599062825 359393694 /nfs/dbraw/zinc/39/36/94/359393694.db2.gz UNRBPIBWWJILRO-LBPRGKRZSA-N 0 3 303.366 2.317 20 5 DEBDHN CCN(C)C(=O)CN[C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000186814229 200015239 /nfs/dbraw/zinc/01/52/39/200015239.db2.gz QEVNONVLYIGNIF-HIFRSBDPSA-N 0 3 319.405 2.374 20 5 DEBDHN Cc1ccc(CN2CC[C@@H](Nc3ncc([N+](=O)[O-])cn3)C2)cc1 ZINC000601249656 359980662 /nfs/dbraw/zinc/98/06/62/359980662.db2.gz DMFOROSCVGVAHI-CQSZACIVSA-N 0 3 313.361 2.380 20 5 DEBDHN C[C@H]1CN(C)CC[C@@H]1N(C)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000287815966 219743242 /nfs/dbraw/zinc/74/32/42/219743242.db2.gz KOESBBOHRLFSRP-ONGXEEELSA-N 0 3 321.406 2.376 20 5 DEBDHN Cc1c(CN2CCN(CC(C)(C)O)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000189451230 200403927 /nfs/dbraw/zinc/40/39/27/200403927.db2.gz WSXXDDFYPDORDF-ZDUSSCGKSA-N 0 3 321.421 2.180 20 5 DEBDHN C[C@@H]1CCN(CCNCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602594312 360448345 /nfs/dbraw/zinc/44/83/45/360448345.db2.gz RXWSCUFEEZBESC-LLVKDONJSA-N 0 3 304.350 2.167 20 5 DEBDHN CCN1CCC[C@@H]1CNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602511224 360411324 /nfs/dbraw/zinc/41/13/24/360411324.db2.gz UEZWGTAPQZVZED-GFCCVEGCSA-N 0 3 304.350 2.310 20 5 DEBDHN COc1ccc(CN[C@H](C)C[C@@H]2CCCC(=O)N2)cc1[N+](=O)[O-] ZINC000602529024 360419077 /nfs/dbraw/zinc/41/90/77/360419077.db2.gz OFBVBASKZKXLFK-YPMHNXCESA-N 0 3 321.377 2.140 20 5 DEBDHN CC(C)(O)CNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602549136 360428413 /nfs/dbraw/zinc/42/84/13/360428413.db2.gz CBEWPZOUKHKTIF-UHFFFAOYSA-N 0 3 309.185 2.279 20 5 DEBDHN C[C@@H]1COCC[C@@H]1CNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602653038 360477411 /nfs/dbraw/zinc/47/74/11/360477411.db2.gz GZIBICPEBBLMIF-GHMZBOCLSA-N 0 3 305.334 2.498 20 5 DEBDHN Cc1ncc(CNC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)o1 ZINC000602689290 360499331 /nfs/dbraw/zinc/49/93/31/360499331.db2.gz BJBHSMRDZRACMK-UHFFFAOYSA-N 0 3 317.349 2.045 20 5 DEBDHN CC[C@@H](NCCn1c(C)ncc1[N+](=O)[O-])c1c(C)noc1C ZINC000602810524 360567132 /nfs/dbraw/zinc/56/71/32/360567132.db2.gz MKVQSZMDPUAYOW-GFCCVEGCSA-N 0 3 307.354 2.445 20 5 DEBDHN O=[N+]([O-])c1ccccc1CN[C@@H]([C@@H]1CCCO1)C1(CO)CCC1 ZINC000602891152 360612834 /nfs/dbraw/zinc/61/28/34/360612834.db2.gz LFTJKQCONBDQCX-HOTGVXAUSA-N 0 3 320.389 2.395 20 5 DEBDHN C[NH+](C)Cc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000444856668 238343534 /nfs/dbraw/zinc/34/35/34/238343534.db2.gz ZJWMZSDEIJCAAD-UHFFFAOYSA-N 0 3 316.317 2.009 20 5 DEBDHN O=[N+]([O-])c1ccccc1OCCN1CC[C@@H](O)C12CCCC2 ZINC000292651695 223184929 /nfs/dbraw/zinc/18/49/29/223184929.db2.gz HYKPSIMZHVYSAW-OAHLLOKOSA-N 0 3 306.362 2.353 20 5 DEBDHN O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCN(CC2CC2)C1 ZINC000609391171 361309592 /nfs/dbraw/zinc/30/95/92/361309592.db2.gz CLPGUICPHAHFKO-CYBMUJFWSA-N 0 3 304.350 2.201 20 5 DEBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1C[C@H]2CCC[C@H]21 ZINC000610762482 361462275 /nfs/dbraw/zinc/46/22/75/361462275.db2.gz LHHNYNXQZPHQPR-DGCLKSJQSA-N 0 3 317.345 2.377 20 5 DEBDHN C[C@@H]1CN(CCCCNc2cccnc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000610734577 361454727 /nfs/dbraw/zinc/45/47/27/361454727.db2.gz VHGDPXOCFYMOHB-CHWSQXEVSA-N 0 3 308.382 2.291 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCCOC[C@H]1C ZINC000610990589 361505614 /nfs/dbraw/zinc/50/56/14/361505614.db2.gz BTQNYHZZQCRKSO-CYBMUJFWSA-N 0 3 321.377 2.343 20 5 DEBDHN Cc1c([C@H](C)N[C@H](C)[C@H]2CN(C)CCO2)cccc1[N+](=O)[O-] ZINC000611336919 361581600 /nfs/dbraw/zinc/58/16/00/361581600.db2.gz IHSCOTQHUKTSSS-WOSRLPQWSA-N 0 3 307.394 2.273 20 5 DEBDHN Cc1cc([C@@H](C)NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c(C)s1 ZINC000194561351 201253032 /nfs/dbraw/zinc/25/30/32/201253032.db2.gz VNECJZXTGYREOI-MFKMUULPSA-N 0 3 324.406 2.181 20 5 DEBDHN C[C@H]1CN(C)CC[C@@H]1N(C)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611707661 361663528 /nfs/dbraw/zinc/66/35/28/361663528.db2.gz KGHXADCRSODVGJ-NHYWBVRUSA-N 0 3 315.377 2.314 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1NCCN1CCN(C)C(C)(C)C1 ZINC000281572700 216392968 /nfs/dbraw/zinc/39/29/68/216392968.db2.gz FDQQBARZMNYRTQ-UHFFFAOYSA-N 0 3 306.410 2.341 20 5 DEBDHN CC[C@H](C)NC(=O)[C@@H](C)N[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449217600 240214393 /nfs/dbraw/zinc/21/43/93/240214393.db2.gz AICQLLACOIIKAO-YNEHKIRRSA-N 0 3 307.394 2.419 20 5 DEBDHN C[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000340614497 299360660 /nfs/dbraw/zinc/36/06/60/299360660.db2.gz NKDMBAKIVOMQNQ-JJMVLAAESA-N 0 3 303.362 2.303 20 5 DEBDHN CO[C@H]1C[C@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1(C)C ZINC000451510742 243046368 /nfs/dbraw/zinc/04/63/68/243046368.db2.gz VPPAOGGXVNOCMK-STQMWFEESA-N 0 3 304.350 2.374 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H]([C@H](CO)C1CC1)C1CC1 ZINC000451599512 243179259 /nfs/dbraw/zinc/17/92/59/243179259.db2.gz XIUHANDTEAJQJB-WBVHZDCISA-N 0 3 320.389 2.490 20 5 DEBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@H](CCO)c2ccccc2)c1 ZINC000271707031 209142229 /nfs/dbraw/zinc/14/22/29/209142229.db2.gz UNQAUPXBWKPBOS-IAGOWNOFSA-N 0 3 316.357 2.342 20 5 DEBDHN CO[C@@]1(CNCc2ccc(Cl)cc2[N+](=O)[O-])CCOC1 ZINC000160278983 197397729 /nfs/dbraw/zinc/39/77/29/197397729.db2.gz PSRWXALDULWGKK-CYBMUJFWSA-N 0 3 300.742 2.143 20 5 DEBDHN COc1cc(C(=O)NCCN2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000160258456 197395988 /nfs/dbraw/zinc/39/59/88/197395988.db2.gz DIMDMQUULGWHIX-LBPRGKRZSA-N 0 3 321.377 2.065 20 5 DEBDHN CN(C)C/C=C\C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000492217702 249019070 /nfs/dbraw/zinc/01/90/70/249019070.db2.gz HTTLCPDVKAEOMX-YVMONPNESA-N 0 3 303.362 2.204 20 5 DEBDHN CC1=CCN(CCNC(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000492559917 249089316 /nfs/dbraw/zinc/08/93/16/249089316.db2.gz IEPRBLLTQVDWDE-SREVYHEPSA-N 0 3 315.373 2.376 20 5 DEBDHN CCOc1cc(CN[C@@H]2CCOC[C@H]2OCC)ccc1[N+](=O)[O-] ZINC000492876816 249161993 /nfs/dbraw/zinc/16/19/93/249161993.db2.gz XRJUHPIEDVRJHG-CZUORRHYSA-N 0 3 324.377 2.277 20 5 DEBDHN CCN1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000105350386 194098649 /nfs/dbraw/zinc/09/86/49/194098649.db2.gz QRGXWUSIWVMJRX-UHFFFAOYSA-N 0 3 306.366 2.463 20 5 DEBDHN C[C@@H](NCCOc1ncccc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285014208 218256611 /nfs/dbraw/zinc/25/66/11/218256611.db2.gz HESCISVEFAVVJD-SNVBAGLBSA-N 0 3 320.324 2.441 20 5 DEBDHN Cc1c([C@@H](C)NC[C@H](O)c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000268854816 207022616 /nfs/dbraw/zinc/02/26/16/207022616.db2.gz CSUQSXLLDQMBOL-ABAIWWIYSA-N 0 3 304.350 2.021 20 5 DEBDHN CCC[C@@H](NC[C@@H]1CN(C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000268902617 207071388 /nfs/dbraw/zinc/07/13/88/207071388.db2.gz LJOLXKYCXLDZQM-IAGOWNOFSA-N 0 3 320.437 2.271 20 5 DEBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCc2cccnc2)n1 ZINC000351526338 285169749 /nfs/dbraw/zinc/16/97/49/285169749.db2.gz WTGPVWSCQRBECK-KGLIPLIRSA-N 0 3 301.350 2.460 20 5 DEBDHN C[C@@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000541894221 285197863 /nfs/dbraw/zinc/19/78/63/285197863.db2.gz BZPXIZJYCHEJSA-GFCCVEGCSA-N 0 3 318.377 2.044 20 5 DEBDHN O=C(CNC1(C2CC2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000542522894 285230960 /nfs/dbraw/zinc/23/09/60/285230960.db2.gz YWZVHTQOFPMDOB-UHFFFAOYSA-N 0 3 301.346 2.016 20 5 DEBDHN Cc1c(CN2CC[C@@H](N3CCOCC3)[C@H]2C)cccc1[N+](=O)[O-] ZINC000289696649 221161163 /nfs/dbraw/zinc/16/11/63/221161163.db2.gz HFGDOTTYZLIMHR-RHSMWYFYSA-N 0 3 319.405 2.198 20 5 DEBDHN CCO[C@H]1C[C@@H](N(C)CCn2ccc([N+](=O)[O-])n2)C12CCC2 ZINC000120952903 195271397 /nfs/dbraw/zinc/27/13/97/195271397.db2.gz LBYBLZVVBYOIMN-OLZOCXBDSA-N 0 3 308.382 2.071 20 5 DEBDHN COc1cccc(C(=O)N2CCCN(C(C)C)CC2)c1[N+](=O)[O-] ZINC000444136398 533397306 /nfs/dbraw/zinc/39/73/06/533397306.db2.gz CYEPQBVQNMAGRG-UHFFFAOYSA-N 0 3 321.377 2.160 20 5 DEBDHN C[C@@H](C(=O)NCCN1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000562395384 291981975 /nfs/dbraw/zinc/98/19/75/291981975.db2.gz ZJAOOVYFTOGIEG-CYBMUJFWSA-N 0 3 305.378 2.300 20 5 DEBDHN O=C1CC[C@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])C2(CCC2)N1 ZINC000563418398 292055674 /nfs/dbraw/zinc/05/56/74/292055674.db2.gz OYUVFMJOHRGXJJ-HIFRSBDPSA-N 0 3 315.373 2.373 20 5 DEBDHN C[C@@H](C(=O)NC[C@H]1CCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000564765933 292109138 /nfs/dbraw/zinc/10/91/38/292109138.db2.gz ORDKOKPQVKEQDN-CHWSQXEVSA-N 0 3 305.378 2.156 20 5 DEBDHN CCO[C@@H]1C[C@@H]1NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000564808048 292111722 /nfs/dbraw/zinc/11/17/22/292111722.db2.gz BCXLYNGZVKZKAJ-LSDHHAIUSA-N 0 3 316.361 2.262 20 5 DEBDHN CSc1cccc(C(=O)NCCN2CCCC2)c1[N+](=O)[O-] ZINC000188758042 145016971 /nfs/dbraw/zinc/01/69/71/145016971.db2.gz HVVKGIZHMRHAKA-UHFFFAOYSA-N 0 3 309.391 2.142 20 5 DEBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000246234754 145096145 /nfs/dbraw/zinc/09/61/45/145096145.db2.gz GUYDVYDIUMPLCE-CZUORRHYSA-N 0 3 316.361 2.231 20 5 DEBDHN O=[N+]([O-])c1ccc(OCCN2CC[C@H]3OCCC[C@H]3C2)cc1 ZINC000246901801 145118539 /nfs/dbraw/zinc/11/85/39/145118539.db2.gz VOYFUPAEGGGZLE-XJKSGUPXSA-N 0 3 306.362 2.475 20 5 DEBDHN CCOc1cccc(NC[C@H]2CN3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000322346237 145378749 /nfs/dbraw/zinc/37/87/49/145378749.db2.gz CIXWKJIYAYCLEU-STQMWFEESA-N 0 3 321.377 2.269 20 5 DEBDHN O=[N+]([O-])c1ccc2[nH]c(CN[C@H]3CCC[C@H]3CCO)nc2c1 ZINC000348147493 146223956 /nfs/dbraw/zinc/22/39/56/146223956.db2.gz GFKSJHOXHYQCAS-JQWIXIFHSA-N 0 3 304.350 2.112 20 5 DEBDHN Cc1ccc(CN(CCN(C)C)C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000349034540 146342421 /nfs/dbraw/zinc/34/24/21/146342421.db2.gz DZEXVHZJIZXFJF-INIZCTEOSA-N 0 3 321.421 2.446 20 5 DEBDHN Cc1c(C(=O)N2CC[C@@H]3CC[C@H](C2)N3C)cccc1[N+](=O)[O-] ZINC000073990374 401727196 /nfs/dbraw/zinc/72/71/96/401727196.db2.gz TWZUJERLYMYRJG-QWHCGFSZSA-N 0 3 303.362 2.212 20 5 DEBDHN CO[C@H]1CCCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000076348087 401792811 /nfs/dbraw/zinc/79/28/11/401792811.db2.gz VYQDOCXZZOXYTQ-ZDUSSCGKSA-N 0 3 321.377 2.343 20 5 DEBDHN CCN(C)C(=O)CCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130093277 401817880 /nfs/dbraw/zinc/81/78/80/401817880.db2.gz FRLRDLIUIONGJZ-UHFFFAOYSA-N 0 3 305.378 2.428 20 5 DEBDHN CCN(CCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000078496237 401853346 /nfs/dbraw/zinc/85/33/46/401853346.db2.gz HEHBOFGQKDYCQY-RMKNXTFCSA-N 0 3 303.362 2.209 20 5 DEBDHN CN(C)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000078650977 401860546 /nfs/dbraw/zinc/86/05/46/401860546.db2.gz PXMQGALPGNAHIR-NSHDSACASA-N 0 3 311.769 2.414 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000119459754 401951718 /nfs/dbraw/zinc/95/17/18/401951718.db2.gz MUIWXTVZPGLEKR-XJKSGUPXSA-N 0 3 317.389 2.460 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000119459659 401951761 /nfs/dbraw/zinc/95/17/61/401951761.db2.gz MUIWXTVZPGLEKR-CJNGLKHVSA-N 0 3 317.389 2.460 20 5 DEBDHN CN(C)CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000046722203 401972642 /nfs/dbraw/zinc/97/26/42/401972642.db2.gz ILMWRWNGLGHRGM-UHFFFAOYSA-N 0 3 319.317 2.381 20 5 DEBDHN O=[N+]([O-])c1cccc(OCCN2CCS[C@@H]3COCC[C@@H]32)c1 ZINC000135555032 401945005 /nfs/dbraw/zinc/94/50/05/401945005.db2.gz XSIPQBBVAMPTFV-LSDHHAIUSA-N 0 3 324.402 2.180 20 5 DEBDHN CCN1CCC(NC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000151634901 402047685 /nfs/dbraw/zinc/04/76/85/402047685.db2.gz MWYXDSRPYQCLIW-UHFFFAOYSA-N 0 3 305.378 2.128 20 5 DEBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NCCN(C)C2CC2)c1 ZINC000066924444 402147240 /nfs/dbraw/zinc/14/72/40/402147240.db2.gz MSNSOXVGDNGPSZ-UHFFFAOYSA-N 0 3 309.391 2.141 20 5 DEBDHN CN(C)[C@@H]1CCCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000068342255 402194467 /nfs/dbraw/zinc/19/44/67/402194467.db2.gz CGVFFJFKDAXZKS-XVJNWHFHSA-N 0 3 303.362 2.161 20 5 DEBDHN CN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CCCN(C)C1 ZINC000153677629 402162211 /nfs/dbraw/zinc/16/22/11/402162211.db2.gz XMDKITATKYACRM-HBWSCVEGSA-N 0 3 303.362 2.161 20 5 DEBDHN CN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCCN(C)C1 ZINC000153677697 402162638 /nfs/dbraw/zinc/16/26/38/402162638.db2.gz XMDKITATKYACRM-ATWMFIQVSA-N 0 3 303.362 2.161 20 5 DEBDHN CCC[C@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)N(C)C ZINC000153700334 402164298 /nfs/dbraw/zinc/16/42/98/402164298.db2.gz MTOULJRGDIUFLO-OAHLLOKOSA-N 0 3 305.378 2.210 20 5 DEBDHN C[C@@H](N[C@@H](C)C1CCOCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000125508403 402236378 /nfs/dbraw/zinc/23/63/78/402236378.db2.gz KLGLCQGCIKBUBD-NWDGAFQWSA-N 0 3 321.377 2.327 20 5 DEBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000195621176 402273264 /nfs/dbraw/zinc/27/32/64/402273264.db2.gz PTXZAWQDAOETLI-NEPJUHHUSA-N 0 3 320.393 2.027 20 5 DEBDHN CN(CCCOc1ccccc1)CCn1ccc([N+](=O)[O-])n1 ZINC000176207842 402290724 /nfs/dbraw/zinc/29/07/24/402290724.db2.gz UPEOQHLQXYLMIZ-UHFFFAOYSA-N 0 3 304.350 2.192 20 5 DEBDHN O=[N+]([O-])c1ccn(CCN2CC[C@H](Cc3ccc(F)cc3)C2)n1 ZINC000176249786 402294143 /nfs/dbraw/zinc/29/41/43/402294143.db2.gz NBZUYQJRNSFDHT-CQSZACIVSA-N 0 3 318.352 2.495 20 5 DEBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCCN1C ZINC000184787933 402299512 /nfs/dbraw/zinc/29/95/12/402299512.db2.gz OTYXPKUGYKCZEN-GOEBONIOSA-N 0 3 319.405 2.374 20 5 DEBDHN Cc1cc(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000177088832 402368730 /nfs/dbraw/zinc/36/87/30/402368730.db2.gz RYNJDMVLAFIABM-DGCLKSJQSA-N 0 3 303.362 2.258 20 5 DEBDHN C[C@@H]1C[C@@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000177105525 402370182 /nfs/dbraw/zinc/37/01/82/402370182.db2.gz KDQPLCZIJVUKFS-SVTFUTLMSA-N 0 3 315.373 2.349 20 5 DEBDHN CCOC(=O)N1CC[C@H](NCc2ccc([N+](=O)[O-])cc2C)C1 ZINC000185773325 402375986 /nfs/dbraw/zinc/37/59/86/402375986.db2.gz PLFDUFDCXLKXNE-ZDUSSCGKSA-N 0 3 307.350 2.224 20 5 DEBDHN C[C@@]1(O)CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000177986017 402449692 /nfs/dbraw/zinc/44/96/92/402449692.db2.gz OOPYPPAWCANHFO-MRXNPFEDSA-N 0 3 317.345 2.249 20 5 DEBDHN C[C@]1(O)CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000177986008 402449798 /nfs/dbraw/zinc/44/97/98/402449798.db2.gz OOPYPPAWCANHFO-INIZCTEOSA-N 0 3 317.345 2.249 20 5 DEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCCC3(CC3)C2)c1 ZINC000186975057 402474970 /nfs/dbraw/zinc/47/49/70/402474970.db2.gz NGJGWLPZGNFWGW-AWEZNQCLSA-N 0 3 306.362 2.211 20 5 DEBDHN COc1ccc(OCCN(C)C[C@@H]2CCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000246044290 402505164 /nfs/dbraw/zinc/50/51/64/402505164.db2.gz AOIUODIZXHSWCE-SWLSCSKDSA-N 0 3 324.377 2.075 20 5 DEBDHN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H](N2CCCC2)C1 ZINC000170719627 402517114 /nfs/dbraw/zinc/51/71/14/402517114.db2.gz SAUPSUPTPGYDHY-AWEZNQCLSA-N 0 3 304.350 2.297 20 5 DEBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCCOC[C@H]1CCCO1 ZINC000566474672 292245190 /nfs/dbraw/zinc/24/51/90/292245190.db2.gz IFYWBIHFOIGZDF-DOMZBBRYSA-N 0 3 306.362 2.367 20 5 DEBDHN O=[N+]([O-])c1ccn(CCN2CCC(c3ccncc3)CC2)n1 ZINC000191669174 402685792 /nfs/dbraw/zinc/68/57/92/402685792.db2.gz XLRKWCKOTFYXGG-UHFFFAOYSA-N 0 3 301.350 2.066 20 5 DEBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000255913955 402698920 /nfs/dbraw/zinc/69/89/20/402698920.db2.gz LDFDZYCQKMGWHQ-JWINAJMKSA-N 0 3 317.389 2.407 20 5 DEBDHN CC(C)N(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C(C)C ZINC000183066966 402736400 /nfs/dbraw/zinc/73/64/00/402736400.db2.gz AFLAGHYMKUIDJX-UHFFFAOYSA-N 0 3 323.349 2.381 20 5 DEBDHN CN(C)[C@@H]1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000278425284 402866038 /nfs/dbraw/zinc/86/60/38/402866038.db2.gz PBAXIUVPNYCCFQ-MRVPVSSYSA-N 0 3 304.272 2.149 20 5 DEBDHN CC1(C)C[C@H](NC[C@]2(O)CCOC2)c2cc([N+](=O)[O-])ccc21 ZINC000278597162 402868488 /nfs/dbraw/zinc/86/84/88/402868488.db2.gz AIYJGIBOAWYTGZ-GOEBONIOSA-N 0 3 306.362 2.058 20 5 DEBDHN COC[C@H](NC/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000278787107 402871177 /nfs/dbraw/zinc/87/11/77/402871177.db2.gz ZWLUTZUMFYRDGO-YQNAPEKISA-N 0 3 306.362 2.392 20 5 DEBDHN Cc1n[nH]cc1CN[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000271492912 402876383 /nfs/dbraw/zinc/87/63/83/402876383.db2.gz MACOAIIKWNGBFS-JTQLQIEISA-N 0 3 317.349 2.133 20 5 DEBDHN CS[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1N(C)C ZINC000272102208 402897453 /nfs/dbraw/zinc/89/74/53/402897453.db2.gz ZXFRETNFRALCBO-KBPBESRZSA-N 0 3 313.398 2.211 20 5 DEBDHN O=[N+]([O-])c1cccc(OCCN[C@H](CO)c2ccc(F)cc2)c1 ZINC000273072230 402968545 /nfs/dbraw/zinc/96/85/45/402968545.db2.gz FRMNLWQJODZOLT-MRXNPFEDSA-N 0 3 320.320 2.436 20 5 DEBDHN CC(C)(C(=O)NCCN1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000265815079 402952664 /nfs/dbraw/zinc/95/26/64/402952664.db2.gz QGBJHFAQGOBHKK-UHFFFAOYSA-N 0 3 319.405 2.475 20 5 DEBDHN Cc1c(C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000272369477 402928945 /nfs/dbraw/zinc/92/89/45/402928945.db2.gz AQMUIWNWEALEED-DOMZBBRYSA-N 0 3 303.362 2.069 20 5 DEBDHN COc1ccc(NC(=O)CN[C@H]2CCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000279313393 402929784 /nfs/dbraw/zinc/92/97/84/402929784.db2.gz ROVGVORIERYXHE-PWSUYJOCSA-N 0 3 307.350 2.320 20 5 DEBDHN COCCCN1CCC(Nc2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000266795309 402992256 /nfs/dbraw/zinc/99/22/56/402992256.db2.gz APPUXOCAKCTRHP-UHFFFAOYSA-N 0 3 308.382 2.211 20 5 DEBDHN CCN1CCN([C@@H]2CCN(c3ccc([N+](=O)[O-])cc3C)C2)CC1 ZINC000266965370 403004102 /nfs/dbraw/zinc/00/41/02/403004102.db2.gz JIMUVHDCZDWYIJ-MRXNPFEDSA-N 0 3 318.421 2.119 20 5 DEBDHN COc1ccc(C)cc1[C@@H](C)NCCn1ccc([N+](=O)[O-])n1 ZINC000271727446 286294409 /nfs/dbraw/zinc/29/44/09/286294409.db2.gz XXBXAKKUBAYFBH-GFCCVEGCSA-N 0 3 304.350 2.459 20 5 DEBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000268152070 403054754 /nfs/dbraw/zinc/05/47/54/403054754.db2.gz XAFIYPJLCMZACD-HZMBPMFUSA-N 0 3 304.350 2.199 20 5 DEBDHN C[C@@H]1C[C@H](Nc2c([N+](=O)[O-])ncn2C)CN1Cc1ccccc1 ZINC000268152322 403054828 /nfs/dbraw/zinc/05/48/28/403054828.db2.gz MXZYFOYZQVBNDD-OCCSQVGLSA-N 0 3 315.377 2.403 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(N[C@@H](C)CCN2CCN(C)CC2)c1 ZINC000274527581 403064684 /nfs/dbraw/zinc/06/46/84/403064684.db2.gz YCFYVXHQTVFDQM-AWEZNQCLSA-N 0 3 306.410 2.341 20 5 DEBDHN CN(C)CCN(Cc1cccc(F)c1)c1c([N+](=O)[O-])ncn1C ZINC000268342133 403075106 /nfs/dbraw/zinc/07/51/06/403075106.db2.gz SIUUESIOHIQXEO-UHFFFAOYSA-N 0 3 321.356 2.036 20 5 DEBDHN Cc1nc([C@@H]2CCCN(Cc3cccc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000268518147 403090804 /nfs/dbraw/zinc/09/08/04/403090804.db2.gz WBWUMLWWXKKKOC-CYBMUJFWSA-N 0 3 301.350 2.401 20 5 DEBDHN Cc1n[nH]c([C@@H]2CCCN(Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000268518147 403090806 /nfs/dbraw/zinc/09/08/06/403090806.db2.gz WBWUMLWWXKKKOC-CYBMUJFWSA-N 0 3 301.350 2.401 20 5 DEBDHN Cc1nnc([C@@H]2CCCN(Cc3cccc([N+](=O)[O-])c3)C2)[nH]1 ZINC000268518147 403090809 /nfs/dbraw/zinc/09/08/09/403090809.db2.gz WBWUMLWWXKKKOC-CYBMUJFWSA-N 0 3 301.350 2.401 20 5 DEBDHN CC[C@H]1CN(c2cccc(C)c2[N+](=O)[O-])CCN1C[C@H](C)O ZINC000275473146 403103061 /nfs/dbraw/zinc/10/30/61/403103061.db2.gz OMAKKQYYVVYSRN-KBPBESRZSA-N 0 3 307.394 2.185 20 5 DEBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@H](O)CC(F)(F)F ZINC000282439818 403154197 /nfs/dbraw/zinc/15/41/97/403154197.db2.gz KVVUMSPQLYTBBA-GFCCVEGCSA-N 0 3 306.284 2.382 20 5 DEBDHN COc1cc(CNCCC2(O)CCC2)c([N+](=O)[O-])cc1OC ZINC000283968496 403235654 /nfs/dbraw/zinc/23/56/54/403235654.db2.gz KZNQZMKKFRYOFC-UHFFFAOYSA-N 0 3 310.350 2.007 20 5 DEBDHN CCOc1ccc([C@@H](C)N[C@H](CCO)COC)cc1[N+](=O)[O-] ZINC000271069940 403260884 /nfs/dbraw/zinc/26/08/84/403260884.db2.gz DVNHSEUFTHFRIX-DGCLKSJQSA-N 0 3 312.366 2.042 20 5 DEBDHN CS[C@@H]1CN(C(=O)c2cc(C)ccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000271145787 403269319 /nfs/dbraw/zinc/26/93/19/403269319.db2.gz PQXCVYVXESSNKM-ZIAGYGMSSA-N 0 3 323.418 2.021 20 5 DEBDHN O=[N+]([O-])c1cccc(CN[C@@H](CO)Cc2ccc(F)cc2)c1 ZINC000271200074 403277649 /nfs/dbraw/zinc/27/76/49/403277649.db2.gz IMEXLWIUEWBDMA-OAHLLOKOSA-N 0 3 304.321 2.427 20 5 DEBDHN COc1cc(CN[C@@H]2CCO[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000271218849 403281049 /nfs/dbraw/zinc/28/10/49/403281049.db2.gz FOBYFOYPGGWNKD-ZYHUDNBSSA-N 0 3 310.350 2.269 20 5 DEBDHN CC(C)(NCCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1F ZINC000292231968 403328444 /nfs/dbraw/zinc/32/84/44/403328444.db2.gz VTWHMYOFXLYZCD-UHFFFAOYSA-N 0 3 319.336 2.421 20 5 DEBDHN COc1cc(CN[C@H]2CCC[C@@]2(C)CO)c([N+](=O)[O-])cc1F ZINC000331137792 403337554 /nfs/dbraw/zinc/33/75/54/403337554.db2.gz DEPXRLWLILDHEX-GJZGRUSLSA-N 0 3 312.341 2.383 20 5 DEBDHN O=C1CCC(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000331502188 403401017 /nfs/dbraw/zinc/40/10/17/403401017.db2.gz NZBIVUNRNJFMIN-CYBMUJFWSA-N 0 3 318.377 2.235 20 5 DEBDHN CN(C)CCN(C)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293162649 403404461 /nfs/dbraw/zinc/40/44/61/403404461.db2.gz IMBXGCIAYFRSNJ-UHFFFAOYSA-N 0 3 319.283 2.247 20 5 DEBDHN NC(=O)c1ccc(CN2CC[C@@H](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000339679844 403413756 /nfs/dbraw/zinc/41/37/56/403413756.db2.gz RSLSZUGKPUMQPN-LBPRGKRZSA-N 0 3 303.362 2.316 20 5 DEBDHN CCOCC(C)(C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000293399850 403462308 /nfs/dbraw/zinc/46/23/08/403462308.db2.gz XXLUNFDKQBKTGG-UHFFFAOYSA-N 0 3 309.366 2.246 20 5 DEBDHN CN(CCN1CCCC1)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000339917677 403493171 /nfs/dbraw/zinc/49/31/71/403493171.db2.gz QKDVPERYGBEMHD-UHFFFAOYSA-N 0 3 319.405 2.427 20 5 DEBDHN Cc1cc(NC(=O)N2CCN(C)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000340378079 403596888 /nfs/dbraw/zinc/59/68/88/403596888.db2.gz WMCKBIQZADOVSS-LBPRGKRZSA-N 0 3 306.366 2.461 20 5 DEBDHN Cc1ccc(CN[C@@H]2CCO[C@@H]2c2nccn2C)cc1[N+](=O)[O-] ZINC000343406365 403574126 /nfs/dbraw/zinc/57/41/26/403574126.db2.gz VBVPBNKOUZXBNS-HIFRSBDPSA-N 0 3 316.361 2.257 20 5 DEBDHN Cc1c(CC(=O)N[C@@H]2CCCN(C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000343420336 403581134 /nfs/dbraw/zinc/58/11/34/403581134.db2.gz AJKUEPAOCGRXRO-TZMCWYRMSA-N 0 3 305.378 2.045 20 5 DEBDHN CCCN(CCN1CCCC1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000287480456 403607384 /nfs/dbraw/zinc/60/73/84/403607384.db2.gz SWMVGIUVWAPYFO-UHFFFAOYSA-N 0 3 320.393 2.125 20 5 DEBDHN CN1CCC[C@]2(CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000294157562 403661645 /nfs/dbraw/zinc/66/16/45/403661645.db2.gz NUBSXOZFVOKQKC-KRWDZBQOSA-N 0 3 317.389 2.082 20 5 DEBDHN COc1ncccc1CCN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294284432 403693231 /nfs/dbraw/zinc/69/32/31/403693231.db2.gz MOFICOCSARZYON-LLVKDONJSA-N 0 3 316.361 2.474 20 5 DEBDHN CN1CCC[C@]2(CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000294313163 403700743 /nfs/dbraw/zinc/70/07/43/403700743.db2.gz WLJYQWUYZXPJDR-KRWDZBQOSA-N 0 3 317.389 2.082 20 5 DEBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@H]2CC[C@@H](CO)C2)c1 ZINC000294947742 403738705 /nfs/dbraw/zinc/73/87/05/403738705.db2.gz CSFRBZNHYMTNMF-KOLCDFICSA-N 0 3 316.304 2.447 20 5 DEBDHN CCc1nn(C)c(N[C@H]2CCN(C3CCCC3)C2)c1[N+](=O)[O-] ZINC000368680615 403821182 /nfs/dbraw/zinc/82/11/82/403821182.db2.gz OECTVZRMVAUEBZ-NSHDSACASA-N 0 3 307.398 2.320 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000341205971 403832844 /nfs/dbraw/zinc/83/28/44/403832844.db2.gz RYTPKGNYOBWTGS-MNOVXSKESA-N 0 3 322.365 2.208 20 5 DEBDHN C[C@@H]1C[C@H](Nc2ncnc3sc([N+](=O)[O-])cc32)CCN1C ZINC000336846975 403920760 /nfs/dbraw/zinc/92/07/60/403920760.db2.gz CFUMWQLBCALUCD-RKDXNWHRSA-N 0 3 307.379 2.494 20 5 DEBDHN COC(=O)[C@@]1(C)CN(Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1C ZINC000337422261 404012306 /nfs/dbraw/zinc/01/23/06/404012306.db2.gz BRPDGAHQRHITKP-BZNIZROVSA-N 0 3 322.361 2.234 20 5 DEBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](N2CCOCC2)[C@H]1C ZINC000290003091 404015833 /nfs/dbraw/zinc/01/58/33/404015833.db2.gz ZFRUNFFNFCGLLY-CKEIUWERSA-N 0 3 319.405 2.451 20 5 DEBDHN C[C@@H](C(=O)N(C)CCN1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000347954228 403976395 /nfs/dbraw/zinc/97/63/95/403976395.db2.gz ZZTRKLZUYPYOOB-GFCCVEGCSA-N 0 3 323.368 2.392 20 5 DEBDHN C[C@@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1C ZINC000351960746 404037238 /nfs/dbraw/zinc/03/72/38/404037238.db2.gz WBVQHIQUJMLMDT-KGLIPLIRSA-N 0 3 307.394 2.388 20 5 DEBDHN O=[N+]([O-])c1cc(Cl)ccc1CN[C@H](CO)[C@@H]1CCCOC1 ZINC000411985453 404044647 /nfs/dbraw/zinc/04/46/47/404044647.db2.gz DNFPSEOWYYCMIZ-DGCLKSJQSA-N 0 3 314.769 2.125 20 5 DEBDHN CC1(C)CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]1C1CC1 ZINC000290497430 404193548 /nfs/dbraw/zinc/19/35/48/404193548.db2.gz AMGONVKJRQAUNW-XJKSGUPXSA-N 0 3 320.389 2.455 20 5 DEBDHN C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)[C@@H](c1ccccc1)N(C)C ZINC000349797397 404204082 /nfs/dbraw/zinc/20/40/82/404204082.db2.gz BUWMEIVXIVALQZ-ABAIWWIYSA-N 0 3 316.361 2.344 20 5 DEBDHN C[C@H]1[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCCN1C ZINC000412239023 404205136 /nfs/dbraw/zinc/20/51/36/404205136.db2.gz BDXKDAURTGSTFV-DANNLKNASA-N 0 3 317.389 2.297 20 5 DEBDHN C[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCCOC1 ZINC000355178942 404262784 /nfs/dbraw/zinc/26/27/84/404262784.db2.gz PWMOLXVQEZUHSY-GHMZBOCLSA-N 0 3 304.350 2.376 20 5 DEBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000344719710 404330024 /nfs/dbraw/zinc/33/00/24/404330024.db2.gz ORWCEOBGBMVKOM-HNNXBMFYSA-N 0 3 319.405 2.374 20 5 DEBDHN COC(=O)C1=C(C)O[C@@H](CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000296859529 404345501 /nfs/dbraw/zinc/34/55/01/404345501.db2.gz YTYYSQJTEFFRRJ-IINYFYTJSA-N 0 3 320.345 2.481 20 5 DEBDHN CC(C)N1C[C@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])CC1=O ZINC000567406631 292311538 /nfs/dbraw/zinc/31/15/38/292311538.db2.gz NOORNXAGXHGIGB-RISCZKNCSA-N 0 3 303.362 2.181 20 5 DEBDHN CN(C[C@H](O)Cn1cnc2cc3ccccc3cc2c1=O)C1CC1 ZINC000290790547 404313473 /nfs/dbraw/zinc/31/34/73/404313473.db2.gz OGWQZUILEQEMKH-INIZCTEOSA-N 0 3 323.396 2.005 20 5 DEBDHN CCS(=O)(=O)CCCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000414346263 404585746 /nfs/dbraw/zinc/58/57/46/404585746.db2.gz PWKSFTJHFNXDKU-LLVKDONJSA-N 0 3 300.380 2.070 20 5 DEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@@H]1CS(=O)(=O)C[C@H]1C ZINC000342409639 404561401 /nfs/dbraw/zinc/56/14/01/404561401.db2.gz DHIIXHCUBOFTCF-RCLYDWMDSA-N 0 3 324.402 2.021 20 5 DEBDHN O=C1C[C@H](CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CN1 ZINC000414478335 404648190 /nfs/dbraw/zinc/64/81/90/404648190.db2.gz DRZQIVBMIROKRK-LLVKDONJSA-N 0 3 315.329 2.081 20 5 DEBDHN C[C@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CCN1C ZINC000351604098 404667003 /nfs/dbraw/zinc/66/70/03/404667003.db2.gz DCTVFHADJHFEBM-VHSXEESVSA-N 0 3 310.329 2.338 20 5 DEBDHN CC1(C)[C@@H]2CN([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@@H]21 ZINC000357775606 404742711 /nfs/dbraw/zinc/74/27/11/404742711.db2.gz BUIUPGLJVXGECS-QLFBSQMISA-N 0 3 315.373 2.288 20 5 DEBDHN CC(C)(C)[C@@H]1NC(=O)CC[C@@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000353113871 404745950 /nfs/dbraw/zinc/74/59/50/404745950.db2.gz ASXKBNZCDCCZEW-DZGCQCFKSA-N 0 3 305.378 2.378 20 5 DEBDHN O=C1C[C@@]2(CN1)CCCN(C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000353747355 404954602 /nfs/dbraw/zinc/95/46/02/404954602.db2.gz AAMXDLJGAYVQLW-GPCFVJJQSA-N 0 3 315.373 2.210 20 5 DEBDHN CCOC(=O)c1ccnc(N[C@H]2CCN(C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000361083158 404908862 /nfs/dbraw/zinc/90/88/62/404908862.db2.gz XCQFTDXHNBILKP-MNOVXSKESA-N 0 3 322.365 2.061 20 5 DEBDHN CNc1c(C(=O)N2CCCN(C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000361209644 404974911 /nfs/dbraw/zinc/97/49/11/404974911.db2.gz HMNLATXDTJGLTI-UHFFFAOYSA-N 0 3 320.393 2.193 20 5 DEBDHN CCC[C@H](O)[C@@H](CO)NCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000419835715 405269202 /nfs/dbraw/zinc/26/92/02/405269202.db2.gz YRMPPOBUMSSTMB-ZBFHGGJFSA-N 0 3 310.394 2.330 20 5 DEBDHN CC(C)[C@@]1(CO)CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000368075057 405227034 /nfs/dbraw/zinc/22/70/34/405227034.db2.gz PRWSWVRTLJHWON-INIZCTEOSA-N 0 3 308.378 2.314 20 5 DEBDHN CN1CC[C@]2(CCN(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)C2)C1 ZINC000455332501 405398287 /nfs/dbraw/zinc/39/82/87/405398287.db2.gz LVGGMACQNGIRNM-HNNXBMFYSA-N 0 3 322.340 2.293 20 5 DEBDHN COc1cc(CN[C@H](C)CC(C)(C)O)c([N+](=O)[O-])cc1OC ZINC000449453642 405567185 /nfs/dbraw/zinc/56/71/85/405567185.db2.gz XJNYYHQGZBEBRD-SNVBAGLBSA-N 0 3 312.366 2.251 20 5 DEBDHN CN(C[C@H]1CCCN1C)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000493803339 405566316 /nfs/dbraw/zinc/56/63/16/405566316.db2.gz OFVANRCAZUEICG-YYRKOSNBSA-N 0 3 303.362 2.161 20 5 DEBDHN CN(C[C@H]1CCCN1C)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000493836592 405583240 /nfs/dbraw/zinc/58/32/40/405583240.db2.gz MVGXDIMJLRKBOZ-WHLNPGIBSA-N 0 3 303.362 2.161 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCN(C(C)C)C2)c1 ZINC000457106172 405702063 /nfs/dbraw/zinc/70/20/63/405702063.db2.gz DAXOYNSIEGAOMX-CYBMUJFWSA-N 0 3 305.378 2.458 20 5 DEBDHN CC1(C)C[C@H](NC[C@H]2COCCO2)c2cc([N+](=O)[O-])ccc21 ZINC000433170595 405886101 /nfs/dbraw/zinc/88/61/01/405886101.db2.gz XYVYAGJWBOJEKT-WFASDCNBSA-N 0 3 306.362 2.322 20 5 DEBDHN C[C@@H]1CCN(CCNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000568788852 292367838 /nfs/dbraw/zinc/36/78/38/292367838.db2.gz VFWMTZYNYXMBCX-LLVKDONJSA-N 0 3 316.361 2.148 20 5 DEBDHN CC1(C)C[C@H](NC[C@H](O)[C@@H]2CCOC2)c2cc([N+](=O)[O-])ccc21 ZINC000433282599 405910778 /nfs/dbraw/zinc/91/07/78/405910778.db2.gz MWGQOSRYTSYKBZ-RLCCDNCMSA-N 0 3 320.389 2.304 20 5 DEBDHN COc1ccc(C(=O)N2CCCC[C@@H]2CN(C)C)cc1[N+](=O)[O-] ZINC000521451109 406348971 /nfs/dbraw/zinc/34/89/71/406348971.db2.gz WDCDWQBHAXDPMW-CYBMUJFWSA-N 0 3 321.377 2.160 20 5 DEBDHN CCc1nncn1CCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000545265993 406309336 /nfs/dbraw/zinc/30/93/36/406309336.db2.gz ZOMNDEPKSFITBC-LBPRGKRZSA-N 0 3 303.366 2.408 20 5 DEBDHN COC[C@@](C)(O)CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000522113388 406390733 /nfs/dbraw/zinc/39/07/33/406390733.db2.gz HZZLOSDPYOBBOT-INIZCTEOSA-N 0 3 320.345 2.342 20 5 DEBDHN CCN(C[C@@H]1CCCN1CC)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000548453606 406518154 /nfs/dbraw/zinc/51/81/54/406518154.db2.gz WQXVAFHIYWBPRB-HNNXBMFYSA-N 0 3 319.405 2.470 20 5 DEBDHN CN1CCC[C@@H](CNC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000491576203 406627414 /nfs/dbraw/zinc/62/74/14/406627414.db2.gz MOGHUMGQIBDEIV-HWPRWLFBSA-N 0 3 321.352 2.205 20 5 DEBDHN CN(CCOC[C@@H]1CCCO1)CCc1ccccc1[N+](=O)[O-] ZINC000551995398 406667930 /nfs/dbraw/zinc/66/79/30/406667930.db2.gz YFEHMNAMIOAEDB-HNNXBMFYSA-N 0 3 308.378 2.265 20 5 DEBDHN CN(C)C1(CNC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CCC1 ZINC000491972867 406797279 /nfs/dbraw/zinc/79/72/79/406797279.db2.gz MBIOROPEIGSRDX-ALCCZGGFSA-N 0 3 321.352 2.348 20 5 DEBDHN C[C@@H]1C[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])CN1C1CC1 ZINC000134490040 196396694 /nfs/dbraw/zinc/39/66/94/196396694.db2.gz YVGRAVXEQPXPBB-KOLCDFICSA-N 0 3 307.325 2.089 20 5 DEBDHN C[C@H]1CN(CCCNc2ncc([N+](=O)[O-])cc2F)CCCO1 ZINC000413269104 228299449 /nfs/dbraw/zinc/29/94/49/228299449.db2.gz RRXNZGJBQOSUMG-NSHDSACASA-N 0 3 312.345 2.042 20 5 DEBDHN O=[N+]([O-])c1ccc2c(ccnc2NCCN2CCCCC2)c1 ZINC000450256781 425066968 /nfs/dbraw/zinc/06/69/68/425066968.db2.gz IJCIEYPMMKUOIA-UHFFFAOYSA-N 0 3 300.362 3.041 20 5 DEBDHN C[C@@H]1[C@@H](Nc2nccc3cc([N+](=O)[O-])ccc32)CCCN1C ZINC000450443748 425073450 /nfs/dbraw/zinc/07/34/50/425073450.db2.gz VXNOJAUDPNXRCB-ABAIWWIYSA-N 0 3 300.362 3.038 20 5 DEBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000488753842 269146627 /nfs/dbraw/zinc/14/66/27/269146627.db2.gz SLPGRHMEHNSPQT-SGMGOOAPSA-N 0 3 321.425 2.286 20 5 DEBDHN COC[C@@H](O)CCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290839939 274044794 /nfs/dbraw/zinc/04/47/94/274044794.db2.gz IQQFVRSYSAJCJM-JTQLQIEISA-N 0 3 323.176 2.389 20 5 DEBDHN COc1cc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H]2C)c([N+](=O)[O-])cc1[O-] ZINC000414523615 274094010 /nfs/dbraw/zinc/09/40/10/274094010.db2.gz YOIRMVONJCMLJC-MXWKQRLJSA-N 0 3 310.350 2.212 20 5 DEBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN(C2CCOCC2)CC1 ZINC000266982138 277651647 /nfs/dbraw/zinc/65/16/47/277651647.db2.gz ASBMKNRFPVDUFE-AWEZNQCLSA-N 0 3 319.405 2.452 20 5 DEBDHN CC(C)(C(=O)NCCN1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000429846344 278272546 /nfs/dbraw/zinc/27/25/46/278272546.db2.gz AHBWXVUZYRINNJ-UHFFFAOYSA-N 0 3 319.405 2.475 20 5 DEBDHN C[C@@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000180929782 278281210 /nfs/dbraw/zinc/28/12/10/278281210.db2.gz XBGVTAFRVJUZTD-NEPJUHHUSA-N 0 3 320.393 2.027 20 5 DEBDHN C[C@H](NC[C@@H]1CN(C2CC2)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000358173066 279478876 /nfs/dbraw/zinc/47/88/76/279478876.db2.gz IYJMEUHQSWTGCT-BLLLJJGKSA-N 0 3 305.378 2.109 20 5 DEBDHN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCCNCC1 ZINC000195120800 280172196 /nfs/dbraw/zinc/17/21/96/280172196.db2.gz PFCWBMMYBRVLLW-UHFFFAOYSA-N 0 3 305.359 2.245 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000194557295 281257876 /nfs/dbraw/zinc/25/78/76/281257876.db2.gz YETJETAYOSRYTN-ZDUSSCGKSA-N 0 3 303.362 2.214 20 5 DEBDHN CN(C)C1(CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CCC1 ZINC000349004912 289043872 /nfs/dbraw/zinc/04/38/72/289043872.db2.gz LLHWXNHOMKWURA-UHFFFAOYSA-N 0 3 319.405 2.473 20 5 DEBDHN COc1ccc(CN[C@H](C)c2cnccc2N)cc1[N+](=O)[O-] ZINC000422947143 533698131 /nfs/dbraw/zinc/69/81/31/533698131.db2.gz PUSKZHKOGDAACM-SNVBAGLBSA-N 0 3 302.334 2.262 20 5 DEBDHN C[C@H](CO[C@@H]1CCOC1)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572541962 325946910 /nfs/dbraw/zinc/94/69/10/325946910.db2.gz OYWMVIFETPKQNA-JMSVASOKSA-N 0 3 306.362 2.366 20 5 DEBDHN Cc1ncncc1[C@@H](C)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000577124374 326344168 /nfs/dbraw/zinc/34/41/68/326344168.db2.gz LPBMZOVLMJTLNH-LLVKDONJSA-N 0 3 302.334 2.423 20 5 DEBDHN COC[C@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])[C@@H]1CCCO1 ZINC000580345568 335123157 /nfs/dbraw/zinc/12/31/57/335123157.db2.gz LWAMYVNKHNMLDC-DZKIICNBSA-N 0 3 306.362 2.366 20 5 DEBDHN O=[N+]([O-])c1cc2ccccc2nc1NC[C@H]1CSCCN1 ZINC000603419770 483934035 /nfs/dbraw/zinc/93/40/35/483934035.db2.gz QBIXHIKCMGPGCY-NSHDSACASA-N 0 3 304.375 2.260 20 5 DEBDHN CSc1ccc(C(=O)NCCN(C)C2CC2)cc1[N+](=O)[O-] ZINC000299280356 534183668 /nfs/dbraw/zinc/18/36/68/534183668.db2.gz RIRKEFOMFWEKOZ-UHFFFAOYSA-N 0 3 309.391 2.141 20 5 DEBDHN CCOC(=O)[C@@H](C)[C@@H](C)NCc1ccc([N+](=O)[O-])cc1OC ZINC000338295835 521039795 /nfs/dbraw/zinc/03/97/95/521039795.db2.gz HYONLEIHMMAMQL-WDEREUQCSA-N 0 3 310.350 2.281 20 5 DEBDHN CCc1cc(OC)ccc1CNCCn1cc([N+](=O)[O-])cn1 ZINC000337316369 523838137 /nfs/dbraw/zinc/83/81/37/523838137.db2.gz XNCOMYXQRJBXTE-UHFFFAOYSA-N 0 3 304.350 2.152 20 5 DEBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000246196541 524899603 /nfs/dbraw/zinc/89/96/03/524899603.db2.gz PXCMOELMYHRTEC-CZUORRHYSA-N 0 3 319.405 2.326 20 5 DEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCC1([S@](C)=O)CC1 ZINC000441206588 527529498 /nfs/dbraw/zinc/52/94/98/527529498.db2.gz WLZHSZFOIIHYLB-HSRJRILOSA-N 0 3 308.403 2.499 20 5 DEBDHN CCC1(CC)[C@H](NCc2c([N+](=O)[O-])ncn2C)[C@@H](C)[C@@H]1OC ZINC000429288233 529109006 /nfs/dbraw/zinc/10/90/06/529109006.db2.gz WCWIGKBKVOXEDK-RTXFEEFZSA-N 0 3 310.398 2.258 20 5 DEBDHN CCCCN(C)CCNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000358777123 535222684 /nfs/dbraw/zinc/22/26/84/535222684.db2.gz XDOZJHHWRNWEMU-UHFFFAOYSA-N 0 3 323.393 2.374 20 5 DEBDHN CO[C@@H]1CCC[C@H]1N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000451632752 536648909 /nfs/dbraw/zinc/64/89/09/536648909.db2.gz PGOQLLPLCISDHP-NJZAAPMLSA-N 0 3 321.377 2.387 20 5 DEBDHN O=C([O-])CCCN1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000833773025 605225733 /nfs/dbraw/zinc/22/57/33/605225733.db2.gz GHGYLDDRWCVQKD-UHFFFAOYSA-N 0 3 321.377 2.014 20 5 DEBDHN COc1c([O-])ccc(C[NH2+]C[C@@H]2CCC[C@H]2OC)c1[N+](=O)[O-] ZINC000893287270 625391583 /nfs/dbraw/zinc/39/15/83/625391583.db2.gz YVNGMDAXSHCUTQ-GXFFZTMASA-N 0 3 310.350 2.214 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@@H]2CCCN2C)c1C ZINC000891904429 624655659 /nfs/dbraw/zinc/65/56/59/624655659.db2.gz BQTNGIHIVGPUKO-ZDUSSCGKSA-N 0 3 305.378 2.378 20 5 DEBDHN COc1c(O)ccc(CN2CCC[C@@H]3COCC[C@H]32)c1[N+](=O)[O-] ZINC000892216447 624848694 /nfs/dbraw/zinc/84/86/94/624848694.db2.gz SJBUUWNUASLGAW-CHWSQXEVSA-N 0 3 322.361 2.310 20 5 DEBDHN Cc1c(NC(=O)N(C)[C@H]2CCCN(C)C2)cccc1[N+](=O)[O-] ZINC000929220990 633615521 /nfs/dbraw/zinc/61/55/21/633615521.db2.gz HZMUVSIHSRDIES-LBPRGKRZSA-N 0 3 306.366 2.461 20 5 DEBDHN C[C@H](NC(=O)N(C)[C@H]1CCCN(C)C1)c1ccccc1[N+](=O)[O-] ZINC000894016470 636093092 /nfs/dbraw/zinc/09/30/92/636093092.db2.gz SMSKQWMFQAGRLE-STQMWFEESA-N 0 3 320.393 2.391 20 5 DEBDHN COC(C)(C)[C@@H](C)NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000922583050 636256028 /nfs/dbraw/zinc/25/60/28/636256028.db2.gz SPFFICCUYHFOSG-SNVBAGLBSA-N 0 3 310.350 2.364 20 5 DEBDHN COc1c(O)ccc(CN[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000895624317 638118423 /nfs/dbraw/zinc/11/84/23/638118423.db2.gz GBTBFGFKIHOWNC-DNJQJEMRSA-N 0 3 310.350 2.211 20 5 DEBDHN COc1c([O-])ccc(C[NH2+]C2CCC3(COC3)CC2)c1[N+](=O)[O-] ZINC000896035086 638318223 /nfs/dbraw/zinc/31/82/23/638318223.db2.gz ZGBWCSMBWNMJHX-UHFFFAOYSA-N 0 3 322.361 2.358 20 5 DEBDHN O=[N+]([O-])c1cc(Cl)ccc1CN[C@H](CO)C[C@@H]1CCCO1 ZINC000896043783 638328367 /nfs/dbraw/zinc/32/83/67/638328367.db2.gz SZDSXLLVBHFECW-STQMWFEESA-N 0 3 314.769 2.268 20 5 DEBDHN O=[N+]([O-])c1cc(Cl)ccc1CN[C@@H](CO)C[C@@H]1CCCO1 ZINC000896043781 638328861 /nfs/dbraw/zinc/32/88/61/638328861.db2.gz SZDSXLLVBHFECW-OLZOCXBDSA-N 0 3 314.769 2.268 20 5 DEBDHN C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](C)CN1 ZINC000841102401 650431248 /nfs/dbraw/zinc/43/12/48/650431248.db2.gz BPCDOOKPGAGRCA-BDAKNGLRSA-N 0 3 312.757 2.462 20 5 DEBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841102402 650431335 /nfs/dbraw/zinc/43/13/35/650431335.db2.gz BPCDOOKPGAGRCA-DTWKUNHWSA-N 0 3 312.757 2.462 20 5 DEBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@@H](CCO)c2cccs2)c1 ZINC000754383246 639423732 /nfs/dbraw/zinc/42/37/32/639423732.db2.gz DOVCATGJLBXTGH-KBPBESRZSA-N 0 3 322.386 2.403 20 5 DEBDHN C[S@](=O)C1(CNCc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000799738707 640119842 /nfs/dbraw/zinc/11/98/42/640119842.db2.gz KDPZARUYYUATSE-IBGZPJMESA-N 0 3 302.783 2.249 20 5 DEBDHN Cc1nn(CN2CC[C@H](C3CC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000763331789 640531209 /nfs/dbraw/zinc/53/12/09/640531209.db2.gz IWEIMDQZEFDNGW-LBPRGKRZSA-N 0 3 301.350 2.337 20 5 DEBDHN Cc1nn(C)cc1[C@H](C)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765850634 640824494 /nfs/dbraw/zinc/82/44/94/640824494.db2.gz YNDSRNIMMPHYPI-ZUZCIYMTSA-N 0 3 304.350 2.021 20 5 DEBDHN Cc1nn(C)cc1[C@@H](C)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765850631 640824575 /nfs/dbraw/zinc/82/45/75/640824575.db2.gz YNDSRNIMMPHYPI-BMIGLBTASA-N 0 3 304.350 2.021 20 5 DEBDHN COc1c([O-])ccc(C[NH2+][C@@H](C)Cc2cccnc2)c1[N+](=O)[O-] ZINC000897967517 640986200 /nfs/dbraw/zinc/98/62/00/640986200.db2.gz RVEBUCVJDRMXKO-NSHDSACASA-N 0 3 317.345 2.425 20 5 DEBDHN Cc1cc(C(=O)OCCN2CCCCC2)c(N)c([N+](=O)[O-])c1 ZINC000770371055 641361649 /nfs/dbraw/zinc/36/16/49/641361649.db2.gz PFXUYZLTOQNVIS-UHFFFAOYSA-N 0 3 307.350 2.128 20 5 DEBDHN C[C@H](NCC(C)(C)CS(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000926952955 641533188 /nfs/dbraw/zinc/53/31/88/641533188.db2.gz FEOPKSSPVTYSIG-NSHDSACASA-N 0 3 314.407 2.316 20 5 DEBDHN CNC(=O)C1(NC/C=C/c2ccccc2[N+](=O)[O-])CCCC1 ZINC000779173709 642468844 /nfs/dbraw/zinc/46/88/44/642468844.db2.gz FASSUMWRTFTBRZ-SOFGYWHQSA-N 0 3 303.362 2.256 20 5 DEBDHN O=[N+]([O-])c1ccc(CNC[C@@H](O)COCC2CC2)cc1Cl ZINC000783610924 643026955 /nfs/dbraw/zinc/02/69/55/643026955.db2.gz BTLPFCZYPPZKDN-GFCCVEGCSA-N 0 3 314.769 2.125 20 5 DEBDHN COc1ccc2cc(C(=O)OCC(C)[N+](=O)[O-])c(C)nc2c1 ZINC000813108910 646730612 /nfs/dbraw/zinc/73/06/12/646730612.db2.gz BWIWOEOYNHWLFJ-VIFPVBQESA-N 0 3 304.302 2.374 20 5 DEBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1Cc1ccccc1 ZINC000813110395 646731361 /nfs/dbraw/zinc/73/13/61/646731361.db2.gz ZQOVCMBNFCNAMN-NSHDSACASA-N 0 3 303.318 2.062 20 5 DEBDHN CC(=O)CCc1ccc(O[C@@H](C)C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813111360 646731423 /nfs/dbraw/zinc/73/14/23/646731423.db2.gz RYGGAVRYRFDVAF-AAEUAGOBSA-N 0 3 323.345 2.184 20 5 DEBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])nnn1-c1ccccc1Cl ZINC000813114839 646732287 /nfs/dbraw/zinc/73/22/87/646732287.db2.gz WYCQGXOHYIXJJE-QMMMGPOBSA-N 0 3 324.724 2.051 20 5 DEBDHN CC(COC(=O)c1nccnc1Sc1ccccc1)[N+](=O)[O-] ZINC000813115483 646734170 /nfs/dbraw/zinc/73/41/70/646734170.db2.gz SYLNMJYDFUEJLZ-JTQLQIEISA-N 0 3 319.342 2.450 20 5 DEBDHN CC(COC(=O)C1(Cc2ccccc2)CCOCC1)[N+](=O)[O-] ZINC000835455130 647478586 /nfs/dbraw/zinc/47/85/86/647478586.db2.gz MZPLIWHMUAXBGE-ZDUSSCGKSA-N 0 3 307.346 2.234 20 5 DEBDHN O=[N+]([O-])c1ccccc1CNC[C@H](O)Cc1ccc(F)cc1 ZINC000818978948 647555499 /nfs/dbraw/zinc/55/54/99/647555499.db2.gz RXPGJXVRAFGRAY-OAHLLOKOSA-N 0 3 304.321 2.427 20 5 DEBDHN CO[C@H]1CC[C@@H](N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000821343456 648039426 /nfs/dbraw/zinc/03/94/26/648039426.db2.gz XJKMFJZVZFCCDB-CVEARBPZSA-N 0 3 305.378 2.284 20 5 DEBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCN1C ZINC000827631650 649059406 /nfs/dbraw/zinc/05/94/06/649059406.db2.gz CLFVXWYWPXQWKB-NSHDSACASA-N 0 3 309.391 2.141 20 5 DEBDHN O=C(CCN1C[C@H]2[C@@H](C1)C2(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000844456956 651131566 /nfs/dbraw/zinc/13/15/66/651131566.db2.gz SYHHGEQEFOBHFA-AOOOYVTPSA-N 0 3 311.288 2.120 20 5 DEBDHN Cc1cc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])nn1C ZINC000845878713 651291631 /nfs/dbraw/zinc/29/16/31/651291631.db2.gz VQJQZFMKGIZULZ-IINYFYTJSA-N 0 3 321.308 2.431 20 5 DEBDHN CCN1C[C@H](CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)OC1=O ZINC000846847101 651356452 /nfs/dbraw/zinc/35/64/52/651356452.db2.gz KHAZJQMZECYCJB-AAEUAGOBSA-N 0 3 307.350 2.395 20 5 DEBDHN CC(COC(=O)[C@H](c1ccc(Cl)cc1)N(C)C)[N+](=O)[O-] ZINC000847713745 651412705 /nfs/dbraw/zinc/41/27/05/651412705.db2.gz AHOPZJFNESMTAF-SKDRFNHKSA-N 0 3 300.742 2.151 20 5 DEBDHN C[C@H](C(=O)Nc1ccc(N)c([N+](=O)[O-])c1)N1[C@H](C)CC[C@H]1C ZINC000854497492 651489847 /nfs/dbraw/zinc/48/98/47/651489847.db2.gz QXSSBWPNFWNVJT-GMTAPVOTSA-N 0 3 306.366 2.377 20 5 DEBDHN CN(CCN1CCCCC1)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000855032935 651614147 /nfs/dbraw/zinc/61/41/47/651614147.db2.gz FYUWJNJMURXKEN-UHFFFAOYSA-N 0 3 309.341 2.292 20 5 DEBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCN[C@@H](C(C)C)C1 ZINC000856488935 651941468 /nfs/dbraw/zinc/94/14/68/651941468.db2.gz HREBDOUZIJIOFV-QSOAKEGCSA-N 0 3 317.389 2.455 20 5 DEBDHN COC(=O)N(C)CCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000850547077 651949968 /nfs/dbraw/zinc/94/99/68/651949968.db2.gz AGOPPLSLCSRLGM-AWEZNQCLSA-N 0 3 307.350 2.260 20 5 DEBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@@H](O)c1ccccn1 ZINC000852037783 652320447 /nfs/dbraw/zinc/32/04/47/652320447.db2.gz ABTLYCMWQGYNGL-MRXNPFEDSA-N 0 3 301.346 2.198 20 5 DEBDHN CN(CC1CCOCC1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000124651371 684137254 /nfs/dbraw/zinc/13/72/54/684137254.db2.gz QUHZKNKFUNYWPX-UHFFFAOYSA-N 0 3 304.350 2.260 20 5 DEBDHN CC1CCN(CCNC(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000864877510 686871199 /nfs/dbraw/zinc/87/11/99/686871199.db2.gz PIHNMRYZUQLUQL-UHFFFAOYSA-N 0 3 323.368 2.125 20 5 DEBDHN CC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCN(CC(C)(C)O)C1 ZINC000865998680 687404576 /nfs/dbraw/zinc/40/45/76/687404576.db2.gz RAJUGIREHFEMAJ-LBPRGKRZSA-N 0 3 321.377 2.055 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C)C(C)(C)CC1 ZINC000871157012 688738926 /nfs/dbraw/zinc/73/89/26/688738926.db2.gz RUPDVHLLYIKIMK-UHFFFAOYSA-N 0 3 321.377 2.160 20 5 DEBDHN C[C@H](Nc1cc2n(n1)CCN(C)C2)c1ccccc1[N+](=O)[O-] ZINC000871929274 688896954 /nfs/dbraw/zinc/89/69/54/688896954.db2.gz WFQBRUSIBQMUOV-NSHDSACASA-N 0 3 301.350 2.410 20 5 DEBDHN C[C@@H](NC[C@@H](C)N1CCN(C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872034954 688916841 /nfs/dbraw/zinc/91/68/41/688916841.db2.gz SKBDJBHPIIXEOT-CHWSQXEVSA-N 0 3 324.400 2.020 20 5 DEBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1CCOC[C@H]1O ZINC000872140286 688934298 /nfs/dbraw/zinc/93/42/98/688934298.db2.gz INZAKQKKRBSMBW-OASPWFOLSA-N 0 3 312.391 2.117 20 5 DEBDHN Cc1c(CNC(C)(C)CCS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000873065595 689152366 /nfs/dbraw/zinc/15/23/66/689152366.db2.gz TYABNSAZMZWKPI-UHFFFAOYSA-N 0 3 314.407 2.206 20 5 DEBDHN C[C@H](C(=O)N1CC[C@@H]2[C@@H]1CCCN2C)c1cccc([N+](=O)[O-])c1 ZINC000874827254 689501576 /nfs/dbraw/zinc/50/15/76/689501576.db2.gz BYYWTBDNQRAUTP-MAZHCROVSA-N 0 3 317.389 2.393 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@H]2CCCN3C)c1 ZINC000874837420 689511593 /nfs/dbraw/zinc/51/15/93/689511593.db2.gz JHUOBZZJVGRDPK-LSDHHAIUSA-N 0 3 303.362 2.212 20 5 DEBDHN COc1cnc(F)c(CNCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000877020138 689999180 /nfs/dbraw/zinc/99/91/80/689999180.db2.gz XITXXXYNLUVBPH-UHFFFAOYSA-N 0 3 305.309 2.470 20 5 DEBDHN C[C@H]1CCCN1CCNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000877154236 690032289 /nfs/dbraw/zinc/03/22/89/690032289.db2.gz NSBXVKNFEJFJDS-NSHDSACASA-N 0 3 304.350 2.310 20 5 DEBDHN COc1cc(CN[C@@H](CO)CC(C)C)c([N+](=O)[O-])cc1OC ZINC000882915905 691385680 /nfs/dbraw/zinc/38/56/80/691385680.db2.gz BXTSXSCISBZLFO-GFCCVEGCSA-N 0 3 312.366 2.109 20 5 DEBDHN COC[C@H](NCc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCCOC1 ZINC000883185613 691451709 /nfs/dbraw/zinc/45/17/09/691451709.db2.gz AUKQBYYFMXNXDS-DOMZBBRYSA-N 0 3 324.377 2.135 20 5 DEBDHN C[C@H](NCC[C@@H]1CCCS1(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000883305259 691477749 /nfs/dbraw/zinc/47/77/49/691477749.db2.gz SEZBFMQNUQRUKL-FZMZJTMJSA-N 0 3 312.391 2.213 20 5 DEBDHN O=[N+]([O-])c1ccc(CCN2CC[C@](CO)(C(F)(F)F)C2)cc1 ZINC000886797551 692193893 /nfs/dbraw/zinc/19/38/93/692193893.db2.gz WIABIPPZQDMJMW-ZDUSSCGKSA-N 0 3 318.295 2.384 20 5 DEBDHN C[C@@H](NC[C@H](O)COCc1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000932180627 694568599 /nfs/dbraw/zinc/56/85/99/694568599.db2.gz AXNMANXLWHAJSR-DOMZBBRYSA-N 0 3 320.345 2.416 20 5 DEBDHN C[C@H](C[C@@H]1CCC(=O)N1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000925515082 693286824 /nfs/dbraw/zinc/28/68/24/693286824.db2.gz SITXPQZMKUPITP-KOLCDFICSA-N 0 3 311.769 2.395 20 5 DEBDHN COC(C)(C)[C@H](C)NCC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000932369358 694602886 /nfs/dbraw/zinc/60/28/86/694602886.db2.gz KPJGYVAHSJLASM-NSHDSACASA-N 0 3 309.366 2.245 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@H](c1ccccn1)C1CC1 ZINC000932387440 694604767 /nfs/dbraw/zinc/60/47/67/694604767.db2.gz YFAQQGXPOLSEFN-HNNXBMFYSA-N 0 3 301.350 2.236 20 5 DEBDHN C[C@@H]1CN(CCNCc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC001333711731 1150082198 /nfs/dbraw/zinc/08/21/98/1150082198.db2.gz UDVJNYHXDLLXHH-LLVKDONJSA-N 0 3 313.785 2.059 20 5 DEBDHN CSCC[C@@H](N)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001343527758 1150750625 /nfs/dbraw/zinc/75/06/25/1150750625.db2.gz WEQLSYNTVUXGOX-CYBMUJFWSA-N 0 3 323.418 2.166 20 5 DEBDHN Cc1cscc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001125375419 776848497 /nfs/dbraw/zinc/84/84/97/776848497.db2.gz PNIFMNWPBPMNEV-UHFFFAOYSA-N 0 3 319.386 2.484 20 5 DEBDHN Cc1cc([N+](=O)[O-])cc(C(=O)[N-]c2c[nH+]ccc2-n2cccn2)n1 ZINC001125990416 778483734 /nfs/dbraw/zinc/48/37/34/778483734.db2.gz QHRRQDBGHRJLQM-UHFFFAOYSA-N 0 3 324.300 2.131 20 5 DEBDHN COC(=O)[C@@H]1C[C@H](Nc2cc3c(cc2[N+](=O)[O-])CNC3)C1(C)C ZINC001168337178 780853060 /nfs/dbraw/zinc/85/30/60/780853060.db2.gz SFVXTCAMGUKLQN-FZMZJTMJSA-N 0 3 319.361 2.198 20 5 DEBDHN COc1ccccc1N1CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169006264 785000026 /nfs/dbraw/zinc/00/00/26/785000026.db2.gz GMCPPUHKEKIEOS-GJZGRUSLSA-N 0 3 319.405 2.263 20 5 DEBDHN O=[N+]([O-])C[C@H]1CC[C@@H](n2nc(C(F)(F)F)c3c2CNCC3)C1 ZINC001169042476 785013874 /nfs/dbraw/zinc/01/38/74/785013874.db2.gz DVMUYRBSYBWSRO-DTWKUNHWSA-N 0 3 318.299 2.166 20 5 DEBDHN C[C@@H](N)c1ccn(-c2ncc(F)c3cc([N+](=O)[O-])ccc32)n1 ZINC001169228446 785096151 /nfs/dbraw/zinc/09/61/51/785096151.db2.gz AFWMBAJUQFQMJV-MRVPVSSYSA-N 0 3 301.281 2.488 20 5 DEBDHN C[C@@H](Nc1cc(C(F)(F)F)ccc1[N+](=O)[O-])[C@@H]1CNCCO1 ZINC001170567484 787642282 /nfs/dbraw/zinc/64/22/82/787642282.db2.gz JZTJSMSOIULCST-PELKAZGASA-N 0 3 319.283 2.402 20 5 DEBDHN C[C@@H](Nc1cc(Cl)ccc1/C=C/[N+](=O)[O-])[C@H]1CNCCO1 ZINC001170566482 787643594 /nfs/dbraw/zinc/64/35/94/787643594.db2.gz ARFXCKOEELJBPJ-KCELRVLFSA-N 0 3 311.769 2.376 20 5 DEBDHN Cc1cc([N+](=O)[O-])c(OC(C)C)cc1N[C@H](C)[C@H]1CNCCO1 ZINC001170576613 787677945 /nfs/dbraw/zinc/67/79/45/787677945.db2.gz VVSJWEULHHFHLB-MLGOLLRUSA-N 0 3 323.393 2.479 20 5 DEBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)C1CC2(CCC2)C1 ZINC001132587913 788140463 /nfs/dbraw/zinc/14/04/63/788140463.db2.gz ZZUHWIBAYYIUSP-UHFFFAOYSA-N 0 3 317.389 2.381 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(NCCN(C)C(=O)CN(C)C(C)C)c1 ZINC001101657700 793298259 /nfs/dbraw/zinc/29/82/59/793298259.db2.gz LXQCHKGZFOJNAR-UHFFFAOYSA-N 0 3 322.409 2.114 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1CCN(CCF)CC1)CC2 ZINC001172915094 793530147 /nfs/dbraw/zinc/53/01/47/793530147.db2.gz LBYOCVWYXFUVHE-MRXNPFEDSA-N 0 3 321.396 2.429 20 5 DEBDHN NC(=O)[C@H]1CCCCN1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172914466 793530482 /nfs/dbraw/zinc/53/04/82/793530482.db2.gz GWMRLBYHJVBJDT-GDBMZVCRSA-N 0 3 317.389 2.182 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@@H](N1CC[C@@](F)(CO)C1)CC2 ZINC001172909477 793542277 /nfs/dbraw/zinc/54/22/77/793542277.db2.gz SADVHJQBMGHLJZ-HOCLYGCPSA-N 0 3 308.353 2.249 20 5 DEBDHN CCN1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2NC)C(C)(C)C1 ZINC001178861348 795022603 /nfs/dbraw/zinc/02/26/03/795022603.db2.gz VTTWDLRORATEOO-CQSZACIVSA-N 0 3 320.393 2.097 20 5 DEBDHN Cc1nn(C)c(N2CCN(C3CCCC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC001120874087 795548683 /nfs/dbraw/zinc/54/86/83/795548683.db2.gz HXFFWSAJQBDGDK-NSHDSACASA-N 0 3 307.398 2.090 20 5 DEBDHN Cc1cc(CN)nn1C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1 ZINC001156038462 797910136 /nfs/dbraw/zinc/91/01/36/797910136.db2.gz SSNQLGGGCCTSQD-UHFFFAOYSA-N 0 3 317.683 2.204 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC001200804421 798682612 /nfs/dbraw/zinc/68/26/12/798682612.db2.gz ZAJDDHBQADFCLS-AXAPSJFSSA-N 0 3 317.389 2.311 20 5 DEBDHN COc1cc(C[NH2+]CC[C@@H]2CCCCO2)c([N+](=O)[O-])cc1[O-] ZINC001201634238 798776371 /nfs/dbraw/zinc/77/63/71/798776371.db2.gz PMWCQIMFLLUKKY-LBPRGKRZSA-N 0 3 310.350 2.358 20 5 DEBDHN CN(C)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)c(F)c1 ZINC001161695238 798914493 /nfs/dbraw/zinc/91/44/93/798914493.db2.gz WKKFBJBHKUXXPO-UHFFFAOYSA-N 0 3 306.297 2.376 20 5 DEBDHN COc1cc([N+](=O)[O-])cnc1-n1c2ccccc2nc1[C@@H](C)N ZINC001162759942 799167693 /nfs/dbraw/zinc/16/76/93/799167693.db2.gz JWGJIIWMXJAUKB-SECBINFHSA-N 0 3 313.317 2.357 20 5 DEBDHN CC1(CC(=O)NCCCNCc2csc([N+](=O)[O-])c2)CC1 ZINC001162763860 799169005 /nfs/dbraw/zinc/16/90/05/799169005.db2.gz XLZRGIKODKQREI-UHFFFAOYSA-N 0 3 311.407 2.442 20 5 DEBDHN O=[N+]([O-])c1cnc(Cl)nc1NC[C@@H]1Cc2ccccc2CN1 ZINC001163269882 799293982 /nfs/dbraw/zinc/29/39/82/799293982.db2.gz HBGNVVFBYVXHGU-NSHDSACASA-N 0 3 319.752 2.165 20 5 DEBDHN CCOC(=O)c1cc(N[C@H]2CN3CCC2CC3)ccc1[N+](=O)[O-] ZINC001163394152 799330597 /nfs/dbraw/zinc/33/05/97/799330597.db2.gz CDIYXVGRLKPPHV-AWEZNQCLSA-N 0 3 319.361 2.278 20 5 DEBDHN CC(C)(C)N1CCN(c2ncnc3cc([N+](=O)[O-])ccc32)CC1 ZINC001165090639 799648865 /nfs/dbraw/zinc/64/88/65/799648865.db2.gz ALJURUFLNCWHES-UHFFFAOYSA-N 0 3 315.377 2.459 20 5 DEBDHN CN(C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)[C@H]1CCCN(C)C1 ZINC000933485711 800107202 /nfs/dbraw/zinc/10/72/02/800107202.db2.gz KFDSACHXMBUTFE-JYJNAYRXSA-N 0 3 317.389 2.251 20 5 DEBDHN COCCN1CCC(Oc2ccc(/C=C/[N+](=O)[O-])cc2)CC1 ZINC001229116335 801226581 /nfs/dbraw/zinc/22/65/81/801226581.db2.gz WFPNLVYIDHNFPD-IZZDOVSWSA-N 0 3 306.362 2.424 20 5 DEBDHN CN(CCCNC(=O)C(C)(C)F)Cc1cccc([N+](=O)[O-])c1 ZINC001231130239 801587441 /nfs/dbraw/zinc/58/74/41/801587441.db2.gz HFAMBPQXFXCPNU-UHFFFAOYSA-N 0 3 311.357 2.281 20 5 DEBDHN CN1CCC(Oc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC001233747421 802197022 /nfs/dbraw/zinc/19/70/22/802197022.db2.gz QWQHJMJRQVKNIQ-UHFFFAOYSA-N 0 3 305.256 2.482 20 5 DEBDHN CCC(=O)NCC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001222190048 802653353 /nfs/dbraw/zinc/65/33/53/802653353.db2.gz YKNLEFDVRNRRSF-UHFFFAOYSA-N 0 3 305.378 2.333 20 5 DEBDHN COCCN1CCC(Oc2c(F)c(F)ccc2[N+](=O)[O-])CC1 ZINC001225963315 803035102 /nfs/dbraw/zinc/03/51/02/803035102.db2.gz PQPSHDBRYYVSSH-UHFFFAOYSA-N 0 3 316.304 2.363 20 5 DEBDHN C[NH+](C)[C@H]1CC[C@H](Oc2ncc([N+](=O)[O-])c3nc[n-]c32)CC1 ZINC001227691002 803268152 /nfs/dbraw/zinc/26/81/52/803268152.db2.gz LSLMPLIVAQVBGM-MGCOHNPYSA-N 0 3 305.338 2.118 20 5 DEBDHN CN(C)C1(C(=O)NCCc2ccccc2[N+](=O)[O-])CCCC1 ZINC001467660954 1059679303 /nfs/dbraw/zinc/67/93/03/1059679303.db2.gz FXCDHNPTCKYYLT-UHFFFAOYSA-N 0 3 305.378 2.128 20 5 DEBDHN CN(C)[C@H](CNc1nn(C)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001472669774 1060567965 /nfs/dbraw/zinc/56/79/65/1060567965.db2.gz NBDTXDAVIARELR-GFCCVEGCSA-N 0 3 307.329 2.182 20 5 DEBDHN CCN1C[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)C(C)(C)C1 ZINC001558526338 1075097751 /nfs/dbraw/zinc/09/77/51/1075097751.db2.gz LHZNTMJRTRENHX-CYBMUJFWSA-N 0 3 309.341 2.194 20 5 DEBDHN COc1cc(CN[C@H]2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1[O-] ZINC001560358683 1075138696 /nfs/dbraw/zinc/13/86/96/1075138696.db2.gz SLOMWRQJJHVVME-QWHCGFSZSA-N 0 3 323.393 2.271 20 5 DEBDHN C[C@H]1C[C@@H](C(=O)Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CCN1C ZINC001586033691 1076385953 /nfs/dbraw/zinc/38/59/53/1076385953.db2.gz BYIYIOGZCYCBMG-UWVGGRQHSA-N 0 3 323.305 2.139 20 5 DEBDHN CC[N@@H+](Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])CC1CC1 ZINC001590716830 1076670148 /nfs/dbraw/zinc/67/01/48/1076670148.db2.gz ISFMWLHJRUKKIC-UHFFFAOYSA-N 0 3 302.338 2.007 20 5 DEBDHN CC[N@@H+](Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])CC1CC1 ZINC001590716830 1076670143 /nfs/dbraw/zinc/67/01/43/1076670143.db2.gz ISFMWLHJRUKKIC-UHFFFAOYSA-N 0 3 302.338 2.007 20 5 DEBDHN CC[N@H+](Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])CC1CC1 ZINC001590716830 1076670146 /nfs/dbraw/zinc/67/01/46/1076670146.db2.gz ISFMWLHJRUKKIC-UHFFFAOYSA-N 0 3 302.338 2.007 20 5 DEBDHN CC[N@H+](Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])CC1CC1 ZINC001590716830 1076670150 /nfs/dbraw/zinc/67/01/50/1076670150.db2.gz ISFMWLHJRUKKIC-UHFFFAOYSA-N 0 3 302.338 2.007 20 5 DEBDHN C[N@H+](Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C1CCCC1 ZINC001591126114 1076709114 /nfs/dbraw/zinc/70/91/14/1076709114.db2.gz PLIISMCACAQCSG-UHFFFAOYSA-N 0 3 302.338 2.149 20 5 DEBDHN C[N@@H+](Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C1CCCC1 ZINC001591126114 1076709118 /nfs/dbraw/zinc/70/91/18/1076709118.db2.gz PLIISMCACAQCSG-UHFFFAOYSA-N 0 3 302.338 2.149 20 5 DEBDHN C[N@H+](Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C1CCCC1 ZINC001591126114 1076709122 /nfs/dbraw/zinc/70/91/22/1076709122.db2.gz PLIISMCACAQCSG-UHFFFAOYSA-N 0 3 302.338 2.149 20 5 DEBDHN C[N@@H+](Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C1CCCC1 ZINC001591126114 1076709126 /nfs/dbraw/zinc/70/91/26/1076709126.db2.gz PLIISMCACAQCSG-UHFFFAOYSA-N 0 3 302.338 2.149 20 5 DEBDHN C[C@H]1CCC[N@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])[C@H]1C ZINC001609165907 1077781972 /nfs/dbraw/zinc/78/19/72/1077781972.db2.gz ABJFLEMGAHCMDQ-QWRGUYRKSA-N 0 3 316.365 2.395 20 5 DEBDHN C[C@H]1CCC[N@@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])[C@H]1C ZINC001609165907 1077781976 /nfs/dbraw/zinc/78/19/76/1077781976.db2.gz ABJFLEMGAHCMDQ-QWRGUYRKSA-N 0 3 316.365 2.395 20 5 DEBDHN C[C@H]1CCC[N@H+](Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])[C@H]1C ZINC001609165907 1077781979 /nfs/dbraw/zinc/78/19/79/1077781979.db2.gz ABJFLEMGAHCMDQ-QWRGUYRKSA-N 0 3 316.365 2.395 20 5 DEBDHN C[C@H]1CCC[N@@H+](Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])[C@H]1C ZINC001609165907 1077781985 /nfs/dbraw/zinc/78/19/85/1077781985.db2.gz ABJFLEMGAHCMDQ-QWRGUYRKSA-N 0 3 316.365 2.395 20 5 DEBDHN C[C@@H]1CCC[N@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])[C@@H]1C ZINC001609165905 1077782448 /nfs/dbraw/zinc/78/24/48/1077782448.db2.gz ABJFLEMGAHCMDQ-GHMZBOCLSA-N 0 3 316.365 2.395 20 5 DEBDHN C[C@@H]1CCC[N@@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])[C@@H]1C ZINC001609165905 1077782452 /nfs/dbraw/zinc/78/24/52/1077782452.db2.gz ABJFLEMGAHCMDQ-GHMZBOCLSA-N 0 3 316.365 2.395 20 5 DEBDHN C[C@@H]1CCC[N@H+](Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])[C@@H]1C ZINC001609165905 1077782455 /nfs/dbraw/zinc/78/24/55/1077782455.db2.gz ABJFLEMGAHCMDQ-GHMZBOCLSA-N 0 3 316.365 2.395 20 5 DEBDHN C[C@@H]1CCC[N@@H+](Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])[C@@H]1C ZINC001609165905 1077782460 /nfs/dbraw/zinc/78/24/60/1077782460.db2.gz ABJFLEMGAHCMDQ-GHMZBOCLSA-N 0 3 316.365 2.395 20 5 DEBDHN COc1cc(CN[C@@H](CO)CCC(C)C)c([N+](=O)[O-])cc1O ZINC001656629845 1080107827 /nfs/dbraw/zinc/10/78/27/1080107827.db2.gz ACUIVFYCJHWYLO-GFCCVEGCSA-N 0 3 312.366 2.196 20 5 DEBDHN COc1cc(C[NH2+][C@@H](CO)CCC(C)C)c([N+](=O)[O-])cc1[O-] ZINC001656629845 1080107832 /nfs/dbraw/zinc/10/78/32/1080107832.db2.gz ACUIVFYCJHWYLO-GFCCVEGCSA-N 0 3 312.366 2.196 20 5 DEBDHN COc1cc(C[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)c([N+](=O)[O-])cc1[O-] ZINC001657749001 1080185421 /nfs/dbraw/zinc/18/54/21/1080185421.db2.gz FXCNVHXIPGJRHT-IUODEOHRSA-N 0 3 322.361 2.356 20 5 DEBDHN CN1CCCC[C@H]1CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001336746405 1142556934 /nfs/dbraw/zinc/55/69/34/1142556934.db2.gz VIOZJOIEFKKJLH-LBPRGKRZSA-N 0 3 316.361 2.290 20 5 DEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC2(CC1)OCCO2 ZINC001254553840 1143245254 /nfs/dbraw/zinc/24/52/54/1143245254.db2.gz ZRBROCBHUTZDLQ-ZDUSSCGKSA-N 0 3 306.362 2.365 20 5 DEBDHN CCOC(=O)[C@@H]1CCN([C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254560087 1143248217 /nfs/dbraw/zinc/24/82/17/1143248217.db2.gz OZXZVNOAYDSEFY-TZMCWYRMSA-N 0 3 306.362 2.411 20 5 DEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@H]1CCC(=O)N2C ZINC001254559329 1143249280 /nfs/dbraw/zinc/24/92/80/1143249280.db2.gz XAWZUUUXOITLIW-DAXOMENPSA-N 0 3 317.389 2.221 20 5 DEBDHN O=[N+]([O-])c1ccccc1N1CCN(CC2CCC(O)CC2)CC1 ZINC001261252556 1144228205 /nfs/dbraw/zinc/22/82/05/1144228205.db2.gz PJNFOOUBKQCUCJ-UHFFFAOYSA-N 0 3 319.405 2.268 20 5 DEBDHN Cc1cc([N+](=O)[O-])cc(C(=O)N(CCN(C)C)C2CCCC2)n1 ZINC001265738009 1144736166 /nfs/dbraw/zinc/73/61/66/1144736166.db2.gz HZJWJTJHSXPQJM-UHFFFAOYSA-N 0 3 320.393 2.245 20 5 DEBDHN CN(CCCNC(=O)c1cc[nH]c1)Cc1ccc([N+](=O)[O-])cc1 ZINC001265854187 1144747685 /nfs/dbraw/zinc/74/76/85/1144747685.db2.gz OBNMCIBHRCMIRL-UHFFFAOYSA-N 0 3 316.361 2.175 20 5 DEBDHN Cc1nc2n(n1)C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1C)CC2 ZINC000160439162 282118744 /nfs/dbraw/zinc/11/87/44/282118744.db2.gz NCWUFZZQKMFZPJ-YPMHNXCESA-N 0 3 315.377 2.469 20 5 DEBDHN C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCN1C ZINC000088055795 185237899 /nfs/dbraw/zinc/23/78/99/185237899.db2.gz RTIHVVBDNFMLDE-VHSXEESVSA-N 0 3 311.769 2.461 20 5 DEBDHN CC(C)[C@@H](CO)NCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000092394176 185315484 /nfs/dbraw/zinc/31/54/84/185315484.db2.gz ULOGTGVAWCTMMM-LLVKDONJSA-N 0 3 317.183 2.464 20 5 DEBDHN Cc1c(CC(=O)N[C@H](C)C2=CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000272734176 210138369 /nfs/dbraw/zinc/13/83/69/210138369.db2.gz LWCBKADVAUVHJC-CYBMUJFWSA-N 0 3 317.389 2.212 20 5 DEBDHN CC(C)N(CCN(C)C)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000286807779 219176791 /nfs/dbraw/zinc/17/67/91/219176791.db2.gz KVXLYXDWBYXFIM-UHFFFAOYSA-N 0 3 309.395 2.376 20 5 DEBDHN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CC1CCOCC1 ZINC000155919614 186123475 /nfs/dbraw/zinc/12/34/75/186123475.db2.gz PTQMXVSPRBHSQR-LBPRGKRZSA-N 0 3 321.377 2.280 20 5 DEBDHN C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000287167792 219356652 /nfs/dbraw/zinc/35/66/52/219356652.db2.gz OBAMLUMPDUZKGC-PWSUYJOCSA-N 0 3 309.391 2.355 20 5 DEBDHN O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@@H](N2CCCC2)C1 ZINC000171439563 186160184 /nfs/dbraw/zinc/16/01/84/186160184.db2.gz OENAKDCPEQSNEW-GFCCVEGCSA-N 0 3 307.325 2.044 20 5 DEBDHN CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1N(C)C ZINC000270542167 282711939 /nfs/dbraw/zinc/71/19/39/282711939.db2.gz XVAWLGRCWRMECW-UONOGXRCSA-N 0 3 323.418 2.021 20 5 DEBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000237455806 186292127 /nfs/dbraw/zinc/29/21/27/186292127.db2.gz OBSTWHQIXRBEIQ-WOPDTQHZSA-N 0 3 323.418 2.284 20 5 DEBDHN C[C@H](NC(=O)N1CCN2CCC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000171902782 198004821 /nfs/dbraw/zinc/00/48/21/198004821.db2.gz GBUKYSQZPLVKIU-SWLSCSKDSA-N 0 3 318.377 2.145 20 5 DEBDHN C[C@@H](CN1CCCCC1)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173081531 198184121 /nfs/dbraw/zinc/18/41/21/198184121.db2.gz CUWGDUMHZMYIPJ-ZDUSSCGKSA-N 0 3 305.378 2.128 20 5 DEBDHN Cc1ccc(C(=O)NCCN2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000046862105 354293940 /nfs/dbraw/zinc/29/39/40/354293940.db2.gz XSUUPLLVLBOWPE-GFCCVEGCSA-N 0 3 305.378 2.365 20 5 DEBDHN C[C@H]1CCCN(CCNc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000047405032 354315531 /nfs/dbraw/zinc/31/55/31/354315531.db2.gz IMXLYYNVSVNWLX-JTQLQIEISA-N 0 3 309.395 2.448 20 5 DEBDHN NC(=O)CN(CCCOc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000055903388 354514590 /nfs/dbraw/zinc/51/45/90/354514590.db2.gz AOKSYOPBWRAEJV-UHFFFAOYSA-N 0 3 321.377 2.094 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(C(C)C)CC1 ZINC000068777697 354831543 /nfs/dbraw/zinc/83/15/43/354831543.db2.gz VFLNTHWTODFTDG-UHFFFAOYSA-N 0 3 305.378 2.460 20 5 DEBDHN CCCCN1CCCC[C@H]1CNc1ncc([N+](=O)[O-])c(N)n1 ZINC000076269574 355137861 /nfs/dbraw/zinc/13/78/61/355137861.db2.gz NIXRRSYHBQPLEU-NSHDSACASA-N 0 3 308.386 2.034 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)Cc1cnc[nH]1 ZINC000595593523 358494756 /nfs/dbraw/zinc/49/47/56/358494756.db2.gz HLOLVMLDTGAGDS-UHFFFAOYSA-N 0 3 317.349 2.087 20 5 DEBDHN CC(C)C(=O)NC1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000076968833 355176442 /nfs/dbraw/zinc/17/64/42/355176442.db2.gz XVFDEICDAYQMIT-UHFFFAOYSA-N 0 3 319.405 2.374 20 5 DEBDHN CCc1nn(C)c(N2CCN(C3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000091743322 355607944 /nfs/dbraw/zinc/60/79/44/355607944.db2.gz OLSLAUCNUXUHHT-UHFFFAOYSA-N 0 3 321.425 2.345 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H](O)COCC1CC1 ZINC000129908250 355837505 /nfs/dbraw/zinc/83/75/05/355837505.db2.gz MVUFVPHXMKNZBB-DOMZBBRYSA-N 0 3 308.378 2.341 20 5 DEBDHN CCO[C@@H]1CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000156073730 355950819 /nfs/dbraw/zinc/95/08/19/355950819.db2.gz OKKLXYYCMJZBHT-CYBMUJFWSA-N 0 3 321.377 2.424 20 5 DEBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000080771291 192189025 /nfs/dbraw/zinc/18/90/25/192189025.db2.gz VNYODAOVPCMNEV-FZMZJTMJSA-N 0 3 306.366 2.399 20 5 DEBDHN COC(=O)[C@@]1(C)CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255393181 356337959 /nfs/dbraw/zinc/33/79/59/356337959.db2.gz NCBGOOJIPTTWLU-WRLNGNIRSA-N 0 3 304.346 2.493 20 5 DEBDHN CCN1CCN(CCCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000286653996 356371654 /nfs/dbraw/zinc/37/16/54/356371654.db2.gz UHNBZJJBUFRPAM-AWEZNQCLSA-N 0 3 307.394 2.390 20 5 DEBDHN CN1CC[C@H]2[C@@H](CCCN2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000269093383 283160748 /nfs/dbraw/zinc/16/07/48/283160748.db2.gz MBRYJTIWZBCQGC-AAEUAGOBSA-N 0 3 320.349 2.424 20 5 DEBDHN CC(C)c1[n-]nc(-c2nc(C3([NH3+])CCCC3)no2)c1[N+](=O)[O-] ZINC000414624882 283179046 /nfs/dbraw/zinc/17/90/46/283179046.db2.gz WHIZVVNQJXWIFY-UHFFFAOYSA-N 0 3 306.326 2.219 20 5 DEBDHN O=[N+]([O-])c1ccccc1OCCN1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000595632758 358507423 /nfs/dbraw/zinc/50/74/23/358507423.db2.gz HIIZZCUIGIOLIS-HZSPNIEDSA-N 0 3 306.362 2.066 20 5 DEBDHN C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000578496555 356825919 /nfs/dbraw/zinc/82/59/19/356825919.db2.gz HAQLFNWJNKGHLF-UHOFOFEASA-N 0 3 317.389 2.299 20 5 DEBDHN CC[C@@H](C)N1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000590725988 357593596 /nfs/dbraw/zinc/59/35/96/357593596.db2.gz DIASHOWRTZPXBI-GFCCVEGCSA-N 0 3 315.377 2.459 20 5 DEBDHN COCC[C@H](C)CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000591263178 357696428 /nfs/dbraw/zinc/69/64/28/357696428.db2.gz VCSPJRGJZDPNKC-NSHDSACASA-N 0 3 310.350 2.128 20 5 DEBDHN C[C@H]1C[C@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)CS1 ZINC000591263779 357696952 /nfs/dbraw/zinc/69/69/52/357696952.db2.gz MATZXUPLLIURFA-ONGXEEELSA-N 0 3 310.375 2.350 20 5 DEBDHN CC(C)[C@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CCN1 ZINC000592543500 357900329 /nfs/dbraw/zinc/90/03/29/357900329.db2.gz DKTHWUMZDCYOMB-CQSZACIVSA-N 0 3 323.418 2.143 20 5 DEBDHN C[C@@H](CO)C1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000593085713 358005937 /nfs/dbraw/zinc/00/59/37/358005937.db2.gz VTGPKMXVBOPWBQ-ZDUSSCGKSA-N 0 3 308.378 2.314 20 5 DEBDHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)c1csc([N+](=O)[O-])c1 ZINC000594204965 358223361 /nfs/dbraw/zinc/22/33/61/358223361.db2.gz YZOLRGMBMZQHRE-NEPJUHHUSA-N 0 3 309.391 2.403 20 5 DEBDHN NC(=O)c1cccc([N+](=O)[O-])c1N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594599274 358301515 /nfs/dbraw/zinc/30/15/15/358301515.db2.gz IQKXWZCVDXBRKO-STQMWFEESA-N 0 3 318.377 2.123 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@]1(O)CCSC1 ZINC000595011012 358377744 /nfs/dbraw/zinc/37/77/44/358377744.db2.gz FTQXUDMQEXGHGS-IINYFYTJSA-N 0 3 312.391 2.122 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCCC(=O)N(C)C ZINC000595010926 358377770 /nfs/dbraw/zinc/37/77/70/358377770.db2.gz ZZAYCHAUQUHJIY-LLVKDONJSA-N 0 3 309.366 2.122 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCc1ccn(C)n1 ZINC000595034819 358381270 /nfs/dbraw/zinc/38/12/70/358381270.db2.gz YDCNNYSPJUHBGG-LLVKDONJSA-N 0 3 304.350 2.230 20 5 DEBDHN Cc1c(CN2CC[C@H]3NC(=O)CC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000595738451 358538015 /nfs/dbraw/zinc/53/80/15/358538015.db2.gz IGEMSZKBCSBJNI-ZIAGYGMSSA-N 0 3 303.362 2.004 20 5 DEBDHN Cc1c(CN2CC[C@H]3NC(=O)CC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000595738450 358538226 /nfs/dbraw/zinc/53/82/26/358538226.db2.gz IGEMSZKBCSBJNI-UONOGXRCSA-N 0 3 303.362 2.004 20 5 DEBDHN C[NH+](C)[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])Cc1ccccc1 ZINC000596054549 358599664 /nfs/dbraw/zinc/59/96/64/358599664.db2.gz LUKRPVAQMPMCDL-CYBMUJFWSA-N 0 3 316.361 2.280 20 5 DEBDHN C[C@@H](CN1CCC(C)CC1)Nc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000596487174 358697145 /nfs/dbraw/zinc/69/71/45/358697145.db2.gz DGKCZHPQVDYIAS-LBPRGKRZSA-N 0 3 320.393 2.226 20 5 DEBDHN O=C1CC[C@@H]2CN(C/C=C\c3ccccc3[N+](=O)[O-])CC[C@H]2N1 ZINC000597206641 358852551 /nfs/dbraw/zinc/85/25/51/358852551.db2.gz PSGGQUGEPXVPCH-OGCZOTBESA-N 0 3 315.373 2.209 20 5 DEBDHN CN(C)C1(CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 ZINC000496381437 283408775 /nfs/dbraw/zinc/40/87/75/283408775.db2.gz LURWCOPQJQBMGE-UHFFFAOYSA-N 0 3 320.349 2.058 20 5 DEBDHN COc1cccc(C(=O)N[C@H]2CCN(C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000597924851 359043700 /nfs/dbraw/zinc/04/37/00/359043700.db2.gz SYLWGPSNOMXXCW-NSHDSACASA-N 0 3 321.377 2.206 20 5 DEBDHN CN1CC[C@@]2(C1)CCCN(C(=O)c1cccc([N+](=O)[O-])c1)C2 ZINC000597715599 358986701 /nfs/dbraw/zinc/98/67/01/358986701.db2.gz NLRGBPLIHJSGLV-MRXNPFEDSA-N 0 3 303.362 2.153 20 5 DEBDHN COc1ccc(OCCN(C)CCN(C)C2CC2)c([N+](=O)[O-])c1 ZINC000186792454 200012551 /nfs/dbraw/zinc/01/25/51/200012551.db2.gz BGXUMSQJPKUTLQ-UHFFFAOYSA-N 0 3 323.393 2.008 20 5 DEBDHN CC(=O)NC[C@H]1CCCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000599701334 359578716 /nfs/dbraw/zinc/57/87/16/359578716.db2.gz IOGZCBVTCJMEOI-MRXNPFEDSA-N 0 3 305.378 2.128 20 5 DEBDHN CC(C)N1CCC(NC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000600964916 359874926 /nfs/dbraw/zinc/87/49/26/359874926.db2.gz UPBIAGRGAANGKD-UHFFFAOYSA-N 0 3 309.341 2.337 20 5 DEBDHN COc1cc(C(=O)NCCN2CCCCC2)cc([N+](=O)[O-])c1C ZINC000188729653 200295398 /nfs/dbraw/zinc/29/53/98/200295398.db2.gz FPYDKUBNGDVGNF-UHFFFAOYSA-N 0 3 321.377 2.128 20 5 DEBDHN CC1(C)CCCN1CCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601619347 360088883 /nfs/dbraw/zinc/08/88/83/360088883.db2.gz AEXIYAIYZIOCKD-UHFFFAOYSA-N 0 3 309.341 2.338 20 5 DEBDHN CC(C)N1CC[C@H](N(C)C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601621697 360090075 /nfs/dbraw/zinc/09/00/75/360090075.db2.gz ODJDFXGXUYVWEA-NSHDSACASA-N 0 3 309.341 2.289 20 5 DEBDHN CN(CCn1ccc([N+](=O)[O-])n1)CC1(c2ccccc2)CC1 ZINC000189300113 200378863 /nfs/dbraw/zinc/37/88/63/200378863.db2.gz IDOTWAGXFZPBNR-UHFFFAOYSA-N 0 3 300.362 2.455 20 5 DEBDHN CCC[C@H](CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)OC ZINC000602474661 360393430 /nfs/dbraw/zinc/39/34/30/360393430.db2.gz RDFACJRSUICRQG-GXTWGEPZSA-N 0 3 308.382 2.291 20 5 DEBDHN CCO[C@@H]1C[C@@H](N(C)CCn2c(C)ncc2[N+](=O)[O-])C12CCC2 ZINC000602783906 360552830 /nfs/dbraw/zinc/55/28/30/360552830.db2.gz HRPKKQMFODUVBX-ZIAGYGMSSA-N 0 3 322.409 2.379 20 5 DEBDHN CCc1cnccc1[C@@H](C)NCCn1c(C)ncc1[N+](=O)[O-] ZINC000602804085 360563101 /nfs/dbraw/zinc/56/31/01/360563101.db2.gz HLTCDUNJCXHVIO-LLVKDONJSA-N 0 3 303.366 2.408 20 5 DEBDHN CO[C@]1(C)C[C@@H](N(C)CCn2c(C)ncc2[N+](=O)[O-])C1(C)C ZINC000602783322 360550834 /nfs/dbraw/zinc/55/08/34/360550834.db2.gz KWIJFXZKLLUPBY-IUODEOHRSA-N 0 3 310.398 2.235 20 5 DEBDHN COc1cc(CN(C)Cc2cn[nH]c2C)c([N+](=O)[O-])cc1F ZINC000602939601 360636006 /nfs/dbraw/zinc/63/60/06/360636006.db2.gz BMPABMHGTAJSPW-UHFFFAOYSA-N 0 3 308.313 2.406 20 5 DEBDHN CC(C)(C)[C@H](N)c1cn(Cc2ccc([N+](=O)[O-])cc2F)nn1 ZINC000603224260 360755029 /nfs/dbraw/zinc/75/50/29/360755029.db2.gz OLIOUNFSLWAQKH-CYBMUJFWSA-N 0 3 307.329 2.420 20 5 DEBDHN O=[N+]([O-])c1cccc(CN2CCCN(C[C@H]3CCCO3)CC2)c1 ZINC000603848746 360864739 /nfs/dbraw/zinc/86/47/39/360864739.db2.gz SXUTVALFITXUJL-QGZVFWFLSA-N 0 3 319.405 2.282 20 5 DEBDHN Cc1c(NC(=O)N2CC[C@]3(CCN(C)C3)C2)cccc1[N+](=O)[O-] ZINC000292796559 223250112 /nfs/dbraw/zinc/25/01/12/223250112.db2.gz NCIZMDPRBBNYPA-INIZCTEOSA-N 0 3 318.377 2.463 20 5 DEBDHN O=[N+]([O-])c1c(N[C@@H]2CCN(CC3CC3)C2)nc2sccn21 ZINC000609384367 361307868 /nfs/dbraw/zinc/30/78/68/361307868.db2.gz OEZRYWGCXWYLJW-SNVBAGLBSA-N 0 3 307.379 2.200 20 5 DEBDHN CC[C@H](CN1CCCC1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000609876759 361345667 /nfs/dbraw/zinc/34/56/67/361345667.db2.gz FOFJXFNTQLNQJZ-CYBMUJFWSA-N 0 3 309.341 2.338 20 5 DEBDHN CNc1ccc(C(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000610199249 361366735 /nfs/dbraw/zinc/36/67/35/361366735.db2.gz GQABDVZWNJYAII-FZMZJTMJSA-N 0 3 320.393 2.049 20 5 DEBDHN CC[C@H](N[C@H](C)[C@H]1CN(C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000611336951 361581811 /nfs/dbraw/zinc/58/18/11/361581811.db2.gz QLABYKHLPLYZCS-UHOFOFEASA-N 0 3 307.394 2.355 20 5 DEBDHN CCn1cnnc1CCN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000611336028 361582113 /nfs/dbraw/zinc/58/21/13/361582113.db2.gz QJKHOKMDXQGZNR-GFCCVEGCSA-N 0 3 303.366 2.408 20 5 DEBDHN CC[C@@H]1CN(C)CCCN1C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000619567009 363828132 /nfs/dbraw/zinc/82/81/32/363828132.db2.gz HGUYUFIAOMWOKC-CQSZACIVSA-N 0 3 305.378 2.460 20 5 DEBDHN CO[C@@H]1CCCC[C@@H]1NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000275242626 212218689 /nfs/dbraw/zinc/21/86/89/212218689.db2.gz ORSMMIQXJOMCOK-LSDHHAIUSA-N 0 3 321.377 2.105 20 5 DEBDHN O=C1NCCCC[C@H]1N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545471 243097666 /nfs/dbraw/zinc/09/76/66/243097666.db2.gz HMOQYBVIJBSECU-GOEBONIOSA-N 0 3 317.389 2.443 20 5 DEBDHN O=[N+]([O-])c1ccccc1OCCN1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451703299 243339032 /nfs/dbraw/zinc/33/90/32/243339032.db2.gz JHKVRMYPHYDKKK-QLFBSQMISA-N 0 3 320.389 2.457 20 5 DEBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN(CCO)CCCO)o1 ZINC000093323953 193232475 /nfs/dbraw/zinc/23/24/75/193232475.db2.gz RFHHEQAPZYUXEB-UHFFFAOYSA-N 0 3 320.345 2.032 20 5 DEBDHN Cc1ccc(CN2CCN(C[C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000093817557 193312461 /nfs/dbraw/zinc/31/24/61/193312461.db2.gz MQSSTJFZRXGFRC-INIZCTEOSA-N 0 3 319.405 2.057 20 5 DEBDHN COc1cccc(C2(NCCn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000271735927 209168528 /nfs/dbraw/zinc/16/85/28/209168528.db2.gz UHCPFXPMZTYWSG-UHFFFAOYSA-N 0 3 302.334 2.079 20 5 DEBDHN O=C1CC[C@@H](NC/C=C/c2ccccc2[N+](=O)[O-])C2(CCC2)N1 ZINC000282827248 217277046 /nfs/dbraw/zinc/27/70/46/217277046.db2.gz NTQFNFOVBKHABM-YFCVBGDOSA-N 0 3 315.373 2.399 20 5 DEBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000288444028 220146321 /nfs/dbraw/zinc/14/63/21/220146321.db2.gz OYOOPEIATIRKNY-OLZOCXBDSA-N 0 3 303.362 2.294 20 5 DEBDHN C[C@H](NC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000455098433 246377373 /nfs/dbraw/zinc/37/73/73/246377373.db2.gz DLVPZGJZFNQFLP-CORIIIEPSA-N 0 3 318.377 2.001 20 5 DEBDHN C[C@@H](C(=O)NC(C)(C)CN(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000457236699 247694166 /nfs/dbraw/zinc/69/41/66/247694166.db2.gz KSAOYBBGBCYPRS-SNVBAGLBSA-N 0 3 311.357 2.294 20 5 DEBDHN Cc1[nH]nc(C(=O)Nc2ccc(CN(C)C)c(C)c2)c1[N+](=O)[O-] ZINC000458291841 248248795 /nfs/dbraw/zinc/24/87/95/248248795.db2.gz SOTSAXGCRXLXOF-UHFFFAOYSA-N 0 3 317.349 2.249 20 5 DEBDHN C[C@H](NC(=O)/C=C\c1ccccc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000492449517 249067451 /nfs/dbraw/zinc/06/74/51/249067451.db2.gz OTDKGPIRIMVMGB-WSROAFLRSA-N 0 3 315.373 2.375 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](CC(C)C)N(C)C ZINC000042585659 183287890 /nfs/dbraw/zinc/28/78/90/183287890.db2.gz JAGFGXIYENAXHP-CYBMUJFWSA-N 0 3 323.393 2.310 20 5 DEBDHN Cc1cccc(CN(CCN(C)C)c2ncc([N+](=O)[O-])cn2)c1 ZINC000273948153 211203559 /nfs/dbraw/zinc/20/35/59/211203559.db2.gz MMAZOBJWYNKSMU-UHFFFAOYSA-N 0 3 315.377 2.261 20 5 DEBDHN C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C)C1 ZINC000047213342 183584154 /nfs/dbraw/zinc/58/41/54/183584154.db2.gz ZOTWRYUUQPCPGC-KGLIPLIRSA-N 0 3 319.405 2.374 20 5 DEBDHN CN(C)CCN(C)c1ccc(Br)cc1[N+](=O)[O-] ZINC000111150403 194396815 /nfs/dbraw/zinc/39/68/15/194396815.db2.gz KLRGTWXDSKZTCG-UHFFFAOYSA-N 0 3 302.172 2.355 20 5 DEBDHN CCOc1ccc(C(=O)NC[C@H](C)N(C)C2CC2)cc1[N+](=O)[O-] ZINC000057720097 184049299 /nfs/dbraw/zinc/04/92/99/184049299.db2.gz FJPKDUOSLRHKLV-NSHDSACASA-N 0 3 321.377 2.206 20 5 DEBDHN CN(CCN1CCCC1)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000063052561 184268822 /nfs/dbraw/zinc/26/88/22/184268822.db2.gz MDDYSBLILRAPMP-UHFFFAOYSA-N 0 3 311.769 2.416 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H](O)C1CCOCC1 ZINC000540189054 285112185 /nfs/dbraw/zinc/11/21/85/285112185.db2.gz IZLVOAKILFOSCP-LRDDRELGSA-N 0 3 308.378 2.341 20 5 DEBDHN COCC1(N[C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000540751895 285126165 /nfs/dbraw/zinc/12/61/65/285126165.db2.gz RTYDIESSTOCOHO-NSHDSACASA-N 0 3 307.350 2.081 20 5 DEBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@@H]2Cc2ccccc2)c1 ZINC000157552557 197196194 /nfs/dbraw/zinc/19/61/94/197196194.db2.gz ARAXMNNTOXCZKQ-OAHLLOKOSA-N 0 3 300.362 2.498 20 5 DEBDHN Cc1c([C@@H](C)N[C@@H](C)CN2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000155005460 197012678 /nfs/dbraw/zinc/01/26/78/197012678.db2.gz ZFVKZEUQHQJFDF-DZGCQCFKSA-N 0 3 320.437 2.190 20 5 DEBDHN Cc1ccc([C@@H](C)N[C@H](C)CN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000154980355 197010104 /nfs/dbraw/zinc/01/01/04/197010104.db2.gz LHVMMDJHYKLYMH-HUUCEWRRSA-N 0 3 320.437 2.190 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](O)C12CCCC2 ZINC000292847711 533219793 /nfs/dbraw/zinc/21/97/93/533219793.db2.gz VKHOBARVUAGGSD-OAHLLOKOSA-N 0 3 306.362 2.483 20 5 DEBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNCCc2cn[nH]c2)c1 ZINC000289815110 221244236 /nfs/dbraw/zinc/24/42/36/221244236.db2.gz LVNVGQIPDHSYOH-UHFFFAOYSA-N 0 3 312.276 2.252 20 5 DEBDHN CCN(CCN1CCCCCC1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000561349529 291960382 /nfs/dbraw/zinc/96/03/82/291960382.db2.gz ZMTSKGBDFGOLGB-UHFFFAOYSA-N 0 3 322.409 2.271 20 5 DEBDHN CC1=CCN(CCNC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000355547175 133033118 /nfs/dbraw/zinc/03/31/18/133033118.db2.gz ORLDGTVSJGDNIP-UHFFFAOYSA-N 0 3 317.389 2.296 20 5 DEBDHN CCC[C@H](NC[C@H](O)[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000358050367 133117832 /nfs/dbraw/zinc/11/78/32/133117832.db2.gz TURZEWANCVXSMF-KBMXLJTQSA-N 0 3 308.378 2.423 20 5 DEBDHN COC(=O)COc1ccc(CNCC=C(C)C)cc1[N+](=O)[O-] ZINC000359700962 133139571 /nfs/dbraw/zinc/13/95/71/133139571.db2.gz QSIYBSDNANKGGQ-UHFFFAOYSA-N 0 3 308.334 2.202 20 5 DEBDHN COCC(C)(C)CNCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000291681693 404477023 /nfs/dbraw/zinc/47/70/23/404477023.db2.gz HSQVBYDNQOUHHP-UHFFFAOYSA-N 0 3 312.366 2.374 20 5 DEBDHN COc1cc(C(=O)NC[C@H](C)N2CCCC2)cc([N+](=O)[O-])c1C ZINC000564791253 292110984 /nfs/dbraw/zinc/11/09/84/292110984.db2.gz NTUCHAQQKVNPRN-NSHDSACASA-N 0 3 321.377 2.126 20 5 DEBDHN C[C@H](NC[C@@H]1CN2CCC[C@@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000316751254 145363872 /nfs/dbraw/zinc/36/38/72/145363872.db2.gz HXECMHDWEZLRFA-APHBMKBZSA-N 0 3 305.378 2.109 20 5 DEBDHN O=[N+]([O-])c1cc(F)c(NC[C@@H]2CN3CCC[C@H]3CO2)c(F)c1 ZINC000318076711 145367817 /nfs/dbraw/zinc/36/78/17/145367817.db2.gz GGMPFUCDEQXRJD-GXSJLCMTSA-N 0 3 313.304 2.148 20 5 DEBDHN C[C@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])N1CCCC1 ZINC000550737492 285876368 /nfs/dbraw/zinc/87/63/68/285876368.db2.gz MMVSMOKUPAPPJS-CYBMUJFWSA-N 0 3 319.405 2.473 20 5 DEBDHN CC[C@H](NC[C@@H]1CN2CCC[C@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000320854278 145375470 /nfs/dbraw/zinc/37/54/70/145375470.db2.gz XIIHNSQYJFCVOS-BBWFWOEESA-N 0 3 319.405 2.499 20 5 DEBDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000346158919 146026826 /nfs/dbraw/zinc/02/68/26/146026826.db2.gz CRUYXYBRUXJBMT-ZENOOKHLSA-N 0 3 317.389 2.397 20 5 DEBDHN C[C@@H]1C[C@H]1N1CCN(C(=O)c2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346258664 146048765 /nfs/dbraw/zinc/04/87/65/146048765.db2.gz KBJZVOLALXGDHA-WOSRLPQWSA-N 0 3 317.389 2.397 20 5 DEBDHN C[C@H]1C[C@H]1N1CCN(C(=O)c2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346258663 146048789 /nfs/dbraw/zinc/04/87/89/146048789.db2.gz KBJZVOLALXGDHA-HEHGZKQESA-N 0 3 317.389 2.397 20 5 DEBDHN CCS[C@@H]1CCC[C@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000348474066 146275683 /nfs/dbraw/zinc/27/56/83/146275683.db2.gz AHRAUFGQUKTAKM-TZMCWYRMSA-N 0 3 323.418 2.458 20 5 DEBDHN CCOC[C@H](O)CN[C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000349207892 146359151 /nfs/dbraw/zinc/35/91/51/146359151.db2.gz JAAWFOWQDUVBPW-DGCLKSJQSA-N 0 3 312.366 2.042 20 5 DEBDHN C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1F)C1=CCN(C)CC1 ZINC000358370652 147121713 /nfs/dbraw/zinc/12/17/13/147121713.db2.gz DIGWAISKMJIPQI-NSHDSACASA-N 0 3 321.352 2.043 20 5 DEBDHN CCOc1ccc([C@H](C)NCCc2ncn(C)n2)cc1[N+](=O)[O-] ZINC000358409137 147128419 /nfs/dbraw/zinc/12/84/19/147128419.db2.gz VZASCMRLUFSXLC-NSHDSACASA-N 0 3 319.365 2.015 20 5 DEBDHN COC(=O)CCC(C)(C)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000358434211 147133737 /nfs/dbraw/zinc/13/37/37/147133737.db2.gz XLTJIDNAMPTFNG-UHFFFAOYSA-N 0 3 310.350 2.425 20 5 DEBDHN Cc1c(CNC(=O)N[C@@H]2CCCN(C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000359284204 147298557 /nfs/dbraw/zinc/29/85/57/147298557.db2.gz LFTQDRHBUJJKJP-TZMCWYRMSA-N 0 3 320.393 2.185 20 5 DEBDHN CC[C@@H](N[C@H](C)CN1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000121386694 402032906 /nfs/dbraw/zinc/03/29/06/402032906.db2.gz OVJIDLHIZKBHEJ-CZUORRHYSA-N 0 3 307.394 2.356 20 5 DEBDHN C[C@H]1CCCN(C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000053404516 402055351 /nfs/dbraw/zinc/05/53/51/402055351.db2.gz ABJLEWUHQGCKOI-NSHDSACASA-N 0 3 309.366 2.428 20 5 DEBDHN CC(=O)N1CC[C@@H](CN(C)C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000092100518 402001748 /nfs/dbraw/zinc/00/17/48/402001748.db2.gz HQPFJIWRPSIPMQ-ZKKXHLJNSA-N 0 3 317.389 2.408 20 5 DEBDHN COCCN1CCC(Nc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000122687975 402090586 /nfs/dbraw/zinc/09/05/86/402090586.db2.gz XAVRRUHVGWSWBA-UHFFFAOYSA-N 0 3 314.773 2.166 20 5 DEBDHN Cc1c(CC(=O)N(C)C[C@@H]2CCCN(C)C2)cccc1[N+](=O)[O-] ZINC000123324795 402122192 /nfs/dbraw/zinc/12/21/92/402122192.db2.gz AGMWXSJEOJBSKU-CQSZACIVSA-N 0 3 319.405 2.246 20 5 DEBDHN CCN(C)CCNc1ncc(Br)cc1[N+](=O)[O-] ZINC000054127844 402063293 /nfs/dbraw/zinc/06/32/93/402063293.db2.gz FBAKTDMEVPECBL-UHFFFAOYSA-N 0 3 303.160 2.116 20 5 DEBDHN CN(C)C1(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCC1 ZINC000097929890 402132858 /nfs/dbraw/zinc/13/28/58/402132858.db2.gz NWNSREXEJSOYEK-UHFFFAOYSA-N 0 3 311.769 2.462 20 5 DEBDHN CCN1CCC[C@H]1CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000066968855 402148215 /nfs/dbraw/zinc/14/82/15/402148215.db2.gz RYFIDNBRNPHUFS-HVHJFMEUSA-N 0 3 303.362 2.209 20 5 DEBDHN CN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C1CCN(C)CC1 ZINC000068192468 402186430 /nfs/dbraw/zinc/18/64/30/402186430.db2.gz FJBJDMSAAQYERW-VMPITWQZSA-N 0 3 303.362 2.161 20 5 DEBDHN CCOc1ccc(C(=O)NC[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000108330096 402249760 /nfs/dbraw/zinc/24/97/60/402249760.db2.gz AYHSACHXUPKTAT-GFCCVEGCSA-N 0 3 321.377 2.065 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCCN(C)C1 ZINC000108494637 402254914 /nfs/dbraw/zinc/25/49/14/402254914.db2.gz JJTPDQFNBXWBRC-GFCCVEGCSA-N 0 3 306.366 2.367 20 5 DEBDHN O=[N+]([O-])c1ccn(CCN(Cc2cccc(O)c2)CC2CC2)n1 ZINC000176221671 402292018 /nfs/dbraw/zinc/29/20/18/402292018.db2.gz HCJZVVXNMGCVQS-UHFFFAOYSA-N 0 3 316.361 2.409 20 5 DEBDHN C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)CN1C1CC1 ZINC000177056971 402364673 /nfs/dbraw/zinc/36/46/73/402364673.db2.gz QMCQCSNNLRPRJS-ZJUUUORDSA-N 0 3 307.325 2.089 20 5 DEBDHN COc1cccc(C(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000248875569 402612406 /nfs/dbraw/zinc/61/24/06/402612406.db2.gz QQPUWECGNZFXFR-WCQYABFASA-N 0 3 321.377 2.016 20 5 DEBDHN CC1(C)CN(CCNC/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000171766744 402620040 /nfs/dbraw/zinc/62/00/40/402620040.db2.gz GSQSMLPXKSCLKP-FNORWQNLSA-N 0 3 319.405 2.308 20 5 DEBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000172144172 402642037 /nfs/dbraw/zinc/64/20/37/402642037.db2.gz ZQHPENMGQNWTOU-CQSZACIVSA-N 0 3 320.393 2.078 20 5 DEBDHN CC(C)N(CCN(C)C)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000255381923 402685826 /nfs/dbraw/zinc/68/58/26/402685826.db2.gz SHYKWVCJIUYEER-YFHOEESVSA-N 0 3 305.378 2.407 20 5 DEBDHN O=C(NCCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000192603555 402739757 /nfs/dbraw/zinc/73/97/57/402739757.db2.gz HOQOMIBLHISWNC-HNNXBMFYSA-N 0 3 303.362 2.088 20 5 DEBDHN Cc1c([C@@H](C)NCCOc2cccc([N+](=O)[O-])c2)cnn1C ZINC000183403873 402763833 /nfs/dbraw/zinc/76/38/33/402763833.db2.gz JRJUDLDQPMESEE-LLVKDONJSA-N 0 3 304.350 2.366 20 5 DEBDHN Cc1c(CN2CCN(C3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000175476672 402810259 /nfs/dbraw/zinc/81/02/59/402810259.db2.gz APVDOMTUZLTABS-UHFFFAOYSA-N 0 3 319.405 2.200 20 5 DEBDHN O=[N+]([O-])c1ccn(CCN2CC[C@@H](COc3ccccc3)C2)n1 ZINC000272515644 402946867 /nfs/dbraw/zinc/94/68/67/402946867.db2.gz GUCDCIUNDUXPEA-CQSZACIVSA-N 0 3 316.361 2.192 20 5 DEBDHN O=[N+]([O-])c1ccc(OCCN[C@@H](CO)c2ccc(F)cc2)cc1 ZINC000272970096 402962019 /nfs/dbraw/zinc/96/20/19/402962019.db2.gz BVMCXZOVNKMJQN-INIZCTEOSA-N 0 3 320.320 2.436 20 5 DEBDHN O=[N+]([O-])c1cccc(OCCN[C@@H](CO)c2ccc(F)cc2)c1 ZINC000273072229 402968239 /nfs/dbraw/zinc/96/82/39/402968239.db2.gz FRMNLWQJODZOLT-INIZCTEOSA-N 0 3 320.320 2.436 20 5 DEBDHN O=[N+]([O-])c1cccnc1NCC1(N2CCCCC2)CCOCC1 ZINC000265632279 402935335 /nfs/dbraw/zinc/93/53/35/402935335.db2.gz PODPLRDPVKCNQN-UHFFFAOYSA-N 0 3 320.393 2.437 20 5 DEBDHN C[C@H](N[C@@H]1CCC[C@H]1CCO)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000279371716 402935708 /nfs/dbraw/zinc/93/57/08/402935708.db2.gz XCLYAXYKOVVDGB-SLEUVZQESA-N 0 3 321.377 2.063 20 5 DEBDHN CC[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000273425311 403004130 /nfs/dbraw/zinc/00/41/30/403004130.db2.gz KEBNKERLVTZXAJ-AWEZNQCLSA-N 0 3 312.391 2.147 20 5 DEBDHN CC(C)OCCN1CCC(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC000267008617 403007573 /nfs/dbraw/zinc/00/75/73/403007573.db2.gz GDOCQSKVIXUEST-UHFFFAOYSA-N 0 3 308.382 2.291 20 5 DEBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273515323 403011267 /nfs/dbraw/zinc/01/12/67/403011267.db2.gz XQEFJQAWQUTLRM-XPTSAGLGSA-N 0 3 322.340 2.338 20 5 DEBDHN CCN1CCCN(CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000266542883 402972852 /nfs/dbraw/zinc/97/28/52/402972852.db2.gz QMSKCZALNLDPEQ-UHFFFAOYSA-N 0 3 323.393 2.010 20 5 DEBDHN CN(C)CC1(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])CCC1 ZINC000281095193 403058819 /nfs/dbraw/zinc/05/88/19/403058819.db2.gz PKLVVPFWKRXHDR-UHFFFAOYSA-N 0 3 311.769 2.462 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)c1 ZINC000268234725 403064389 /nfs/dbraw/zinc/06/43/89/403064389.db2.gz SVYVACOYXMSWME-BXUZGUMPSA-N 0 3 303.362 2.116 20 5 DEBDHN Cn1ccnc1[C@H]1OCCC[C@@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000275540163 403103703 /nfs/dbraw/zinc/10/37/03/403103703.db2.gz MPOXJSJYGRJUDO-GJZGRUSLSA-N 0 3 316.361 2.338 20 5 DEBDHN COC(=O)c1cc([N+](=O)[O-])c(N(C)CCN(C)C)cc1Cl ZINC000268805922 403115822 /nfs/dbraw/zinc/11/58/22/403115822.db2.gz KOCPQEGFWDWYIQ-UHFFFAOYSA-N 0 3 315.757 2.033 20 5 DEBDHN O=[N+]([O-])c1cccc(CN[C@@H](CO)C[C@H](O)c2ccccc2)c1 ZINC000269925983 403175946 /nfs/dbraw/zinc/17/59/46/403175946.db2.gz LWSUBRKZQIVSML-WBVHZDCISA-N 0 3 316.357 2.169 20 5 DEBDHN CS[C@@H]1CN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000270433647 403191553 /nfs/dbraw/zinc/19/15/53/403191553.db2.gz GLGLZIYGOIMJBG-ZIAGYGMSSA-N 0 3 323.418 2.021 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCN2CC)c1 ZINC000283452872 403198588 /nfs/dbraw/zinc/19/85/88/403198588.db2.gz KZHHZFZYCYOQJX-GFCCVEGCSA-N 0 3 321.377 2.208 20 5 DEBDHN C[C@H](NC[C@@H]1CCCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000284204019 403253847 /nfs/dbraw/zinc/25/38/47/403253847.db2.gz SQNXAKOUAJKHHR-RYUDHWBXSA-N 0 3 312.391 2.070 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCCN(C(C)C)CC1 ZINC000277937638 403272586 /nfs/dbraw/zinc/27/25/86/403272586.db2.gz GFFUMRKOGQECGJ-UHFFFAOYSA-N 0 3 305.378 2.460 20 5 DEBDHN CN(C[C@H]1CCCN1C)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000331247771 403362163 /nfs/dbraw/zinc/36/21/63/403362163.db2.gz VYVNADSWGKGFQA-LLVKDONJSA-N 0 3 311.769 2.414 20 5 DEBDHN COc1cc(CN[C@H]2CCC[C@]2(C)CO)c([N+](=O)[O-])cc1F ZINC000331137794 403337922 /nfs/dbraw/zinc/33/79/22/403337922.db2.gz DEPXRLWLILDHEX-LSDHHAIUSA-N 0 3 312.341 2.383 20 5 DEBDHN CN1CCC[C@]2(CCN(c3ccc([N+](=O)[O-])c(N)c3F)C2)C1 ZINC000292782220 403377744 /nfs/dbraw/zinc/37/77/44/403377744.db2.gz LUTFMKRAFBTNEC-HNNXBMFYSA-N 0 3 308.357 2.238 20 5 DEBDHN Cn1cccc1CN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000331515850 403405461 /nfs/dbraw/zinc/40/54/61/403405461.db2.gz CMVWBCDHJITISA-KBPBESRZSA-N 0 3 303.366 2.403 20 5 DEBDHN O=[N+]([O-])c1cc2c(ncnc2NCCN2CCCCC2)s1 ZINC000286041182 403436654 /nfs/dbraw/zinc/43/66/54/403436654.db2.gz HCQSKBWXWPLOAK-UHFFFAOYSA-N 0 3 307.379 2.497 20 5 DEBDHN C[NH+](C)CCOc1cccc(NC(=O)c2cc([N+](=O)[O-])c[n-]2)c1 ZINC000345907892 403528362 /nfs/dbraw/zinc/52/83/62/403528362.db2.gz GXOXWBHHCFQEBE-UHFFFAOYSA-N 0 3 318.333 2.116 20 5 DEBDHN CN(C)CCOc1cccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)c1 ZINC000345907892 403528364 /nfs/dbraw/zinc/52/83/64/403528364.db2.gz GXOXWBHHCFQEBE-UHFFFAOYSA-N 0 3 318.333 2.116 20 5 DEBDHN C[C@@H]1C[C@H](N2CCCC2)CN1c1nc2sccn2c1[N+](=O)[O-] ZINC000286463238 403531314 /nfs/dbraw/zinc/53/13/14/403531314.db2.gz VDOGLFVOBHESNF-MNOVXSKESA-N 0 3 321.406 2.367 20 5 DEBDHN C[C@H]1[C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCCN1C ZINC000343470847 403603683 /nfs/dbraw/zinc/60/36/83/403603683.db2.gz YEDBAVSSYCVWRG-ZANVPECISA-N 0 3 311.769 2.461 20 5 DEBDHN Cc1ccc([C@@H](C)NC(=O)N[C@@H](C)CN(C)C)cc1[N+](=O)[O-] ZINC000287683012 403647747 /nfs/dbraw/zinc/64/77/47/403647747.db2.gz PUBOTLXIGAGUMB-NWDGAFQWSA-N 0 3 308.382 2.214 20 5 DEBDHN CNC(=O)C1CCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000347354797 403678111 /nfs/dbraw/zinc/67/81/11/403678111.db2.gz IUSJIFJTWYQAPC-RAXLEYEMSA-N 0 3 317.389 2.456 20 5 DEBDHN CN1CCC[C@@]2(CCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])C2)C1 ZINC000294108193 403649386 /nfs/dbraw/zinc/64/93/86/403649386.db2.gz LCHFXHHLVIVCEV-MRXNPFEDSA-N 0 3 321.352 2.292 20 5 DEBDHN C[C@H](NC(=O)N[C@@H]1CCCN(C)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000343797116 403737477 /nfs/dbraw/zinc/73/74/77/403737477.db2.gz LFFPQMQDWBIHBA-YWPYICTPSA-N 0 3 320.393 2.438 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C3CC3)C[C@@H](C)C2)c1 ZINC000295275209 403825789 /nfs/dbraw/zinc/82/57/89/403825789.db2.gz HFZIDRXEGXAHMA-CYBMUJFWSA-N 0 3 317.389 2.460 20 5 DEBDHN COc1cc(CNCC[C@H](C)CCO)c([N+](=O)[O-])cc1OC ZINC000295178934 403785798 /nfs/dbraw/zinc/78/57/98/403785798.db2.gz VKILVRBJKSWNQS-NSHDSACASA-N 0 3 312.366 2.110 20 5 DEBDHN CCC[C@@]1(CO)CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000288912098 403791740 /nfs/dbraw/zinc/79/17/40/403791740.db2.gz UFOSPRLKUADWOF-HZPDHXFCSA-N 0 3 308.378 2.113 20 5 DEBDHN C[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CCN(C2CC2)C1 ZINC000295224869 403803043 /nfs/dbraw/zinc/80/30/43/403803043.db2.gz AZAURSVJZKNESB-CYBMUJFWSA-N 0 3 317.389 2.080 20 5 DEBDHN COc1ccc([C@H](C)NCCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000341227700 403847960 /nfs/dbraw/zinc/84/79/60/403847960.db2.gz KDCGPHXEVJTNRL-LBPRGKRZSA-N 0 3 317.345 2.116 20 5 DEBDHN NC(=O)c1ccc(CN2CCC[C@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000289426264 403959185 /nfs/dbraw/zinc/95/91/85/403959185.db2.gz NEXHHQONZQFVPD-ZDUSSCGKSA-N 0 3 303.362 2.316 20 5 DEBDHN Cc1ccc(CN[C@@H](C2CC2)[C@]2(CO)CCCO2)cc1[N+](=O)[O-] ZINC000354717264 403965370 /nfs/dbraw/zinc/96/53/70/403965370.db2.gz ARGPQMDEXWPHHN-DLBZAZTESA-N 0 3 320.389 2.313 20 5 DEBDHN CC(=O)N1C[C@@H]2CCC[C@@H](NCc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000344131259 403931262 /nfs/dbraw/zinc/93/12/62/403931262.db2.gz VUSUIPPJRFQMFG-ARFHVFGLSA-N 0 3 317.389 2.331 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)CN(C)C ZINC000351822291 403942704 /nfs/dbraw/zinc/94/27/04/403942704.db2.gz NCILHHIYQLEUKD-SNVBAGLBSA-N 0 3 310.354 2.065 20 5 DEBDHN COCCN(CCN(C)C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000289468964 403978962 /nfs/dbraw/zinc/97/89/62/403978962.db2.gz PEKSROSUCSMCKF-UHFFFAOYSA-N 0 3 315.801 2.258 20 5 DEBDHN COC(=O)[C@@]1(C)CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000412103992 404136082 /nfs/dbraw/zinc/13/60/82/404136082.db2.gz MBMRCSALLALESX-INIZCTEOSA-N 0 3 306.362 2.412 20 5 DEBDHN CO[C@H](C)[C@@H](C)N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000290469814 404182095 /nfs/dbraw/zinc/18/20/95/404182095.db2.gz GGICAHLYJWRIIC-IJLUTSLNSA-N 0 3 309.366 2.243 20 5 DEBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000344647340 404283156 /nfs/dbraw/zinc/28/31/56/404283156.db2.gz RPCMWNQSHBQNKF-AWEZNQCLSA-N 0 3 305.378 2.445 20 5 DEBDHN Cn1cc(C[C@@H]2CCN(Cc3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000370010447 404303217 /nfs/dbraw/zinc/30/32/17/404303217.db2.gz MMKJUPHCFLULQU-AWEZNQCLSA-N 0 3 300.362 2.393 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H](C)CCN1CCOCC1 ZINC000350050183 404303705 /nfs/dbraw/zinc/30/37/05/404303705.db2.gz QSJUUVBXODFUIG-CQSZACIVSA-N 0 3 307.394 2.104 20 5 DEBDHN CCCN(CCN(C)C)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000344867607 404415278 /nfs/dbraw/zinc/41/52/78/404415278.db2.gz SYCDSEHHEXWXBW-UHFFFAOYSA-N 0 3 318.377 2.490 20 5 DEBDHN CCC[C@@]1(NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCOC1 ZINC000352821281 404647346 /nfs/dbraw/zinc/64/73/46/404647346.db2.gz AKPPKZXLZHRJOD-MRXNPFEDSA-N 0 3 321.377 2.391 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H]1CSC[C@@H]1C ZINC000352790226 404622864 /nfs/dbraw/zinc/62/28/64/404622864.db2.gz DWTFHQTWQPNDBQ-GWCFXTLKSA-N 0 3 309.391 2.183 20 5 DEBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCc2cccnc2)n1 ZINC000351526337 404627114 /nfs/dbraw/zinc/62/71/14/404627114.db2.gz WTGPVWSCQRBECK-KBPBESRZSA-N 0 3 301.350 2.460 20 5 DEBDHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000342619653 404680487 /nfs/dbraw/zinc/68/04/87/404680487.db2.gz NKJRAOAOZQHSPK-LBPRGKRZSA-N 0 3 316.361 2.173 20 5 DEBDHN COc1ccc(OCCN(C)CC[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000342596698 404669244 /nfs/dbraw/zinc/66/92/44/404669244.db2.gz RDUGPPFBBLWKQX-ZDUSSCGKSA-N 0 3 324.377 2.483 20 5 DEBDHN CC(C)[C@@H](O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000366579992 404818877 /nfs/dbraw/zinc/81/88/77/404818877.db2.gz LMIZCODACDGSGD-INIZCTEOSA-N 0 3 308.378 2.455 20 5 DEBDHN C[C@H](C[C@H](C)O)NCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000361027129 404884517 /nfs/dbraw/zinc/88/45/17/404884517.db2.gz KMUXLXBDSFUMGU-BDAKNGLRSA-N 0 3 304.293 2.445 20 5 DEBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCN(C)C1CC1 ZINC000361171210 404956840 /nfs/dbraw/zinc/95/68/40/404956840.db2.gz MGLYGFZVUHBPHG-AWEZNQCLSA-N 0 3 319.405 2.374 20 5 DEBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3COC[C@H]3O)s2)cc1 ZINC000451231574 404912625 /nfs/dbraw/zinc/91/26/25/404912625.db2.gz QKRVXQJBTUMWPI-ZIAGYGMSSA-N 0 3 320.370 2.173 20 5 DEBDHN CNc1c(C(=O)NCCN2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000361138051 404939373 /nfs/dbraw/zinc/93/93/73/404939373.db2.gz BLLMPWQLGHDNHP-GFCCVEGCSA-N 0 3 320.393 2.098 20 5 DEBDHN CCO[C@@H]1C[C@H](NC/C=C\c2ccccc2[N+](=O)[O-])[C@H]1OC ZINC000361156556 404949725 /nfs/dbraw/zinc/94/97/25/404949725.db2.gz XWKWORZHVRJNBT-HOQDSNHBSA-N 0 3 306.362 2.390 20 5 DEBDHN CCOC(=O)[C@@H]1CCC[C@@H]1NCc1cc([N+](=O)[O-])ccc1OC ZINC000451785090 405036790 /nfs/dbraw/zinc/03/67/90/405036790.db2.gz FSXJMVRZJLBIND-KGLIPLIRSA-N 0 3 322.361 2.425 20 5 DEBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000367834264 405167593 /nfs/dbraw/zinc/16/75/93/405167593.db2.gz FMBFWQLHQROHGN-YPMHNXCESA-N 0 3 321.352 2.433 20 5 DEBDHN CC(C)CN1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000439074760 405264906 /nfs/dbraw/zinc/26/49/06/405264906.db2.gz BSRISZOXHQXBFN-GFCCVEGCSA-N 0 3 308.382 2.163 20 5 DEBDHN CO[C@@H]1C[C@H](N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000439507954 405283331 /nfs/dbraw/zinc/28/33/31/405283331.db2.gz BMNCSTDGYBJQRH-DDTOSNHZSA-N 0 3 321.377 2.325 20 5 DEBDHN Cc1c(C(=O)N2CCC[C@H]3CN(C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000425050412 405237260 /nfs/dbraw/zinc/23/72/60/405237260.db2.gz RDMQPBHMBJVLRT-SWLSCSKDSA-N 0 3 303.362 2.069 20 5 DEBDHN C[C@@H]1[C@H](C)CN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H]1C ZINC000419338116 405241912 /nfs/dbraw/zinc/24/19/12/405241912.db2.gz BWHSZWUSUXUCJY-UPJWGTAASA-N 0 3 317.389 2.460 20 5 DEBDHN COCC[C@@]1(NC/C=C/c2ccccc2[N+](=O)[O-])CCOC1 ZINC000447091951 405402094 /nfs/dbraw/zinc/40/20/94/405402094.db2.gz WNWHDSMZNQIZTO-MQDFFIGUSA-N 0 3 306.362 2.393 20 5 DEBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@H](CC(F)(F)F)C2)n1 ZINC000420938365 405411312 /nfs/dbraw/zinc/41/13/12/405411312.db2.gz ASCGMLNHUCXSOI-SNVBAGLBSA-N 0 3 306.288 2.456 20 5 DEBDHN COc1ccc(NC(=O)N(C)C[C@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000421098455 405447062 /nfs/dbraw/zinc/44/70/62/405447062.db2.gz YAPOEFTWEARIGC-GFCCVEGCSA-N 0 3 322.365 2.161 20 5 DEBDHN C[C@H]1CCN(CCNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000578044042 405562681 /nfs/dbraw/zinc/56/26/81/405562681.db2.gz CXSZKSTZUQNGEZ-VBNZEHGJSA-N 0 3 317.389 2.156 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H]2CCN(C)[C@H]2C1 ZINC000577819466 405517137 /nfs/dbraw/zinc/51/71/37/405517137.db2.gz DIWXGCROCSISIW-RISCZKNCSA-N 0 3 304.350 2.071 20 5 DEBDHN O=[N+]([O-])c1ccccc1CNC[C@H](O)Cc1cccc(F)c1 ZINC000449364113 405525343 /nfs/dbraw/zinc/52/53/43/405525343.db2.gz PZPKZSINOACJKC-OAHLLOKOSA-N 0 3 304.321 2.427 20 5 DEBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@@H]1CCN(C2CC2)C1 ZINC000557533106 405602888 /nfs/dbraw/zinc/60/28/88/405602888.db2.gz IZQWKDUTBMJINI-LLVKDONJSA-N 0 3 319.361 2.338 20 5 DEBDHN CC[C@H]1CN(CCN[C@@H](C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000494457060 405704045 /nfs/dbraw/zinc/70/40/45/405704045.db2.gz QOWUWPUQWYMXQC-BBRMVZONSA-N 0 3 307.394 2.356 20 5 DEBDHN O=C1CC[C@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])[C@H](C2CC2)N1 ZINC000582370205 405716890 /nfs/dbraw/zinc/71/68/90/405716890.db2.gz JASXRQRDPHCWKE-KEYYUXOJSA-N 0 3 315.373 2.229 20 5 DEBDHN O=C(c1ccc([N+](=O)[O-])o1)N1CCCN(CC2CCC2)CC1 ZINC000559255966 405726481 /nfs/dbraw/zinc/72/64/81/405726481.db2.gz XOPJCFUALFKDSK-UHFFFAOYSA-N 0 3 307.350 2.136 20 5 DEBDHN CCOc1cccc(NC[C@H]2CCCN2CCCO)c1[N+](=O)[O-] ZINC000450595763 405971800 /nfs/dbraw/zinc/97/18/00/405971800.db2.gz MMHXIQSJWKUJHS-CYBMUJFWSA-N 0 3 323.393 2.252 20 5 DEBDHN O=C(CN[C@H]1CCC[C@@H]2C[C@@H]21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000459777745 406043099 /nfs/dbraw/zinc/04/30/99/406043099.db2.gz LPHVSEFPYBUEKU-UGFHNGPFSA-N 0 3 315.373 2.262 20 5 DEBDHN COC(=O)COc1ccc(CN2C[C@@H](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000475723929 406148090 /nfs/dbraw/zinc/14/80/90/406148090.db2.gz HDKZLMCMWZNMGS-RYUDHWBXSA-N 0 3 322.361 2.377 20 5 DEBDHN C[C@@H](CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)N(C)C1CC1 ZINC000570376741 406384852 /nfs/dbraw/zinc/38/48/52/406384852.db2.gz NDPPDUDPPKLPTM-RYUDHWBXSA-N 0 3 305.378 2.297 20 5 DEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCCN1CCCC1=O ZINC000571807763 406569511 /nfs/dbraw/zinc/56/95/11/406569511.db2.gz GYNCLPKKSMTVEQ-JLHYYAGUSA-N 0 3 303.362 2.210 20 5 DEBDHN C[C@@H]1CCN(C)CCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000491829032 406739472 /nfs/dbraw/zinc/73/94/72/406739472.db2.gz WRNAYQCGRZWARK-OQHXTRMZSA-N 0 3 303.362 2.161 20 5 DEBDHN Cc1nc2n(n1)C[C@@H](N[C@H]1CCc3c1cccc3[N+](=O)[O-])CC2 ZINC000569744954 292439696 /nfs/dbraw/zinc/43/96/96/292439696.db2.gz XEPYCJCNRNWOFV-FZMZJTMJSA-N 0 3 313.361 2.087 20 5 DEBDHN CC1CCN(CCNC(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000132401733 196252399 /nfs/dbraw/zinc/25/23/99/196252399.db2.gz XWYWAWFJSHJEFN-UHFFFAOYSA-N 0 3 309.341 2.196 20 5 DEBDHN CCN1CCC(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000134518505 196398351 /nfs/dbraw/zinc/39/83/51/196398351.db2.gz KOOQOKRIBFEXRG-UHFFFAOYSA-N 0 3 311.769 2.462 20 5 DEBDHN Cc1nc(NC[C@@H](c2ccccc2)N(C)C)ncc1[N+](=O)[O-] ZINC000296590338 226026178 /nfs/dbraw/zinc/02/61/78/226026178.db2.gz RWNLTHYVNJYAOV-AWEZNQCLSA-N 0 3 301.350 2.408 20 5 DEBDHN CC(C)Oc1nc(N[C@H]2CCN(C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000570107388 424925940 /nfs/dbraw/zinc/92/59/40/424925940.db2.gz UZMHAUJLJSJMCK-NEPJUHHUSA-N 0 3 308.382 2.672 20 5 DEBDHN C[C@@H](CNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)N(C)C ZINC000341271736 424953379 /nfs/dbraw/zinc/95/33/79/424953379.db2.gz BRYHZJVYXCCFGO-LBPRGKRZSA-N 0 3 300.362 3.019 20 5 DEBDHN CCN1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC000579852630 424965332 /nfs/dbraw/zinc/96/53/32/424965332.db2.gz SAUBGXKEMWZTAV-GFCCVEGCSA-N 0 3 308.382 2.673 20 5 DEBDHN CCN(CC)[C@H](CNc1ccc(N)c([N+](=O)[O-])n1)c1ccco1 ZINC000590574740 424997834 /nfs/dbraw/zinc/99/78/34/424997834.db2.gz AVHIUUPOFXZLDB-GFCCVEGCSA-N 0 3 319.365 2.660 20 5 DEBDHN CN(C)C1(CNc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000397768718 269107435 /nfs/dbraw/zinc/10/74/35/269107435.db2.gz KZXGMNWVHKUQGZ-UHFFFAOYSA-N 0 3 315.171 2.258 20 5 DEBDHN CC(C)N(CCC(=O)OCC(C)[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000497018327 269277820 /nfs/dbraw/zinc/27/78/20/269277820.db2.gz PYOTWPRMHZTAII-NSHDSACASA-N 0 3 318.370 2.230 20 5 DEBDHN C[C@H](C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2)c1cccc([N+](=O)[O-])c1 ZINC000515309997 269348786 /nfs/dbraw/zinc/34/87/86/269348786.db2.gz NQZCIRMBPRILJE-DUVNUKRYSA-N 0 3 317.389 2.393 20 5 DEBDHN CN(C)CCc1ccccc1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000525851007 269492571 /nfs/dbraw/zinc/49/25/71/269492571.db2.gz PBRGFZBAGKDPIB-UHFFFAOYSA-N 0 3 316.361 2.290 20 5 DEBDHN C[C@H](Nc1ncc([N+](=O)[O-])c(N)n1)[C@@H](c1ccccc1)N(C)C ZINC000281002404 274532117 /nfs/dbraw/zinc/53/21/17/274532117.db2.gz PSEQKPOQTFFIJJ-GWCFXTLKSA-N 0 3 316.365 2.070 20 5 DEBDHN CC(C)c1ccc(CNCC2(CC(N)=O)CC2)cc1[N+](=O)[O-] ZINC000421348715 276053601 /nfs/dbraw/zinc/05/36/01/276053601.db2.gz GWDLUOYPEIDWLQ-UHFFFAOYSA-N 0 3 305.378 2.463 20 5 DEBDHN CCN(CCNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000296677349 279199614 /nfs/dbraw/zinc/19/96/14/279199614.db2.gz PYWPGDUBVHWIJF-LBPRGKRZSA-N 0 3 320.393 2.439 20 5 DEBDHN CC(C)[C@@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)CCN1C ZINC000436376534 280016365 /nfs/dbraw/zinc/01/63/65/280016365.db2.gz IONGBVHAQFIWTD-HNNXBMFYSA-N 0 3 304.394 2.339 20 5 DEBDHN C[C@]1(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCC(=O)N1 ZINC000453428219 280158527 /nfs/dbraw/zinc/15/85/27/280158527.db2.gz PPHWQLGBWUTNEO-GDBMZVCRSA-N 0 3 303.362 2.231 20 5 DEBDHN CN(C)C1(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000275867035 289043778 /nfs/dbraw/zinc/04/37/78/289043778.db2.gz JLRLEKCTGURSDF-UHFFFAOYSA-N 0 3 319.405 2.473 20 5 DEBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000288475426 297262278 /nfs/dbraw/zinc/26/22/78/297262278.db2.gz QRMFDQWBEMWEBL-DGCLKSJQSA-N 0 3 321.352 2.433 20 5 DEBDHN COc1ccc(NC(=O)CN[C@@H]2CCC2(C)C)c([N+](=O)[O-])c1 ZINC000572494177 325942119 /nfs/dbraw/zinc/94/21/19/325942119.db2.gz MUNRBMKDWMPXIT-CYBMUJFWSA-N 0 3 307.350 2.320 20 5 DEBDHN C[C@@H]1[C@H](C)NC[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001358176921 1152369239 /nfs/dbraw/zinc/36/92/39/1152369239.db2.gz QXYBNCLGVZTXRV-LPEHRKFASA-N 0 3 311.769 2.459 20 5 DEBDHN C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000332166662 534148743 /nfs/dbraw/zinc/14/87/43/534148743.db2.gz OQKRMKNWMFLDQG-CHWSQXEVSA-N 0 3 317.389 2.352 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000292911446 534341269 /nfs/dbraw/zinc/34/12/69/534341269.db2.gz XBSKFXZEVKSHLQ-MRXNPFEDSA-N 0 3 318.377 2.463 20 5 DEBDHN CCOC(=O)[C@@H](C)[C@H](C)NCc1ccc([N+](=O)[O-])cc1OC ZINC000338295834 521044152 /nfs/dbraw/zinc/04/41/52/521044152.db2.gz HYONLEIHMMAMQL-QWRGUYRKSA-N 0 3 310.350 2.281 20 5 DEBDHN Cc1cccc(C(=O)N2CC[C@@]3(CCN(C)C3)C2)c1[N+](=O)[O-] ZINC000292343297 534597803 /nfs/dbraw/zinc/59/78/03/534597803.db2.gz UYFRNYQPIICMFP-MRXNPFEDSA-N 0 3 303.362 2.071 20 5 DEBDHN C[C@@H](NC(=O)N1CCN[C@H](C)[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000892815710 625633628 /nfs/dbraw/zinc/63/36/28/625633628.db2.gz AYZJCTLNFYGAMY-UTUOFQBUSA-N 0 3 306.366 2.048 20 5 DEBDHN CC(C)Oc1ncc(C(=O)OCC(C)[N+](=O)[O-])cc1Cl ZINC000813103935 623297010 /nfs/dbraw/zinc/29/70/10/623297010.db2.gz ISSXKKRIIJQYKC-QMMMGPOBSA-N 0 3 302.714 2.344 20 5 DEBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1Nc1c([N+](=O)[O-])cnn1C ZINC000893194951 625219197 /nfs/dbraw/zinc/21/91/97/625219197.db2.gz OHXQNIZCQXZWBG-TZMCWYRMSA-N 0 3 315.377 2.261 20 5 DEBDHN C[C@H](NC(=O)N[C@@H]1CCCN(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000836345520 650081698 /nfs/dbraw/zinc/08/16/98/650081698.db2.gz LILHZIXDDGVLSU-WCQYABFASA-N 0 3 306.366 2.049 20 5 DEBDHN CC(C)N1CCCC[C@H]1COC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000837578961 650224104 /nfs/dbraw/zinc/22/41/04/650224104.db2.gz SYQSBCDONRWYIT-ZDUSSCGKSA-N 0 3 307.350 2.410 20 5 DEBDHN Cc1ccc(CNC2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc1[N+](=O)[O-] ZINC000922851514 636445181 /nfs/dbraw/zinc/44/51/81/636445181.db2.gz DFCHZIVPXGPCLS-AGUYFDCRSA-N 0 3 324.402 2.101 20 5 DEBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@H]2C[C@H](CO)C2)c1 ZINC000923008841 636909105 /nfs/dbraw/zinc/90/91/05/636909105.db2.gz YNXZYNYKXVJUOH-CZMCAQCFSA-N 0 3 302.277 2.057 20 5 DEBDHN CSc1ccc(C(=O)N[C@@H]2CCN(C)[C@H]2C)cc1[N+](=O)[O-] ZINC000928454468 637291501 /nfs/dbraw/zinc/29/15/01/637291501.db2.gz NGRNGMFUOOLPIZ-GXSJLCMTSA-N 0 3 309.391 2.139 20 5 DEBDHN C[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)[C@@H](C)CN1 ZINC000841233502 637405323 /nfs/dbraw/zinc/40/53/23/637405323.db2.gz WFWBFDSUQYVYIU-BDAKNGLRSA-N 0 3 312.757 2.462 20 5 DEBDHN COCC1(NCc2ccc(O)c(OC)c2[N+](=O)[O-])CCCC1 ZINC000895309381 637912423 /nfs/dbraw/zinc/91/24/23/637912423.db2.gz HTEJXIYZZVRUDC-UHFFFAOYSA-N 0 3 310.350 2.358 20 5 DEBDHN COc1cccc(NC[C@H]2CCN2C2CCOCC2)c1[N+](=O)[O-] ZINC000896522774 638563288 /nfs/dbraw/zinc/56/32/88/638563288.db2.gz LIRBVBAJWPTXBR-CYBMUJFWSA-N 0 3 321.377 2.269 20 5 DEBDHN Cc1nn(CN(C)C[C@@H]2CCOC2)c2ccc([N+](=O)[O-])cc12 ZINC000765057637 640731222 /nfs/dbraw/zinc/73/12/22/640731222.db2.gz CHNNFTFRMXAJOZ-LBPRGKRZSA-N 0 3 304.350 2.179 20 5 DEBDHN CN1CCC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000769996505 641318836 /nfs/dbraw/zinc/31/88/36/641318836.db2.gz DAFZKSULTBQTGQ-JTQLQIEISA-N 0 3 312.757 2.464 20 5 DEBDHN COC(=O)C[C@@H]1CCCCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582556 642188578 /nfs/dbraw/zinc/18/85/78/642188578.db2.gz VFGONLZDQNAQSB-LSDHHAIUSA-N 0 3 322.361 2.046 20 5 DEBDHN CC[C@@]1(CO)CCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000778329123 642373785 /nfs/dbraw/zinc/37/37/85/642373785.db2.gz FGFVWDGVXLNCCM-HZPDHXFCSA-N 0 3 308.378 2.113 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NCCN2CC[C@@H](C)C2)c1C ZINC000900912334 642515381 /nfs/dbraw/zinc/51/53/81/642515381.db2.gz KHTSZXYAIRWKBS-LLVKDONJSA-N 0 3 305.378 2.283 20 5 DEBDHN Cc1cc(F)cc(C(=O)N[C@@H](C)C2=CCN(C)CC2)c1[N+](=O)[O-] ZINC000781393800 642746857 /nfs/dbraw/zinc/74/68/57/642746857.db2.gz GHANRIVEQNLKNG-NSHDSACASA-N 0 3 321.352 2.423 20 5 DEBDHN COCCCN(CCO)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783730207 643044061 /nfs/dbraw/zinc/04/40/61/643044061.db2.gz SFUVAVXSTWBTEJ-UHFFFAOYSA-N 0 3 302.758 2.079 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC[C@@H]1CC(=O)N(C)C1 ZINC000903209850 643288851 /nfs/dbraw/zinc/28/88/51/643288851.db2.gz GGFINQOWXKVYJN-NWDGAFQWSA-N 0 3 321.377 2.122 20 5 DEBDHN C[C@@H](O)C[C@@H]1CCCN1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000155443748 644872459 /nfs/dbraw/zinc/87/24/59/644872459.db2.gz JBKGFHSQEBIJPO-YPMHNXCESA-N 0 3 304.350 2.137 20 5 DEBDHN CCN1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2OC)[C@@H](C)C1 ZINC000910292167 645406627 /nfs/dbraw/zinc/40/66/27/645406627.db2.gz HAERFVRERBYYNB-LBPRGKRZSA-N 0 3 321.377 2.160 20 5 DEBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000843786066 651029172 /nfs/dbraw/zinc/02/91/72/651029172.db2.gz PYKJEKPTFXBURC-GFCCVEGCSA-N 0 3 321.352 2.353 20 5 DEBDHN CC[C@@H]1CN(C)CCN1Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000840090052 645938749 /nfs/dbraw/zinc/93/87/49/645938749.db2.gz BZJLFMRDGPQTHK-CYBMUJFWSA-N 0 3 317.393 2.236 20 5 DEBDHN CC(COC(=O)c1cc(N(C)C)c2ccccc2n1)[N+](=O)[O-] ZINC000813103774 646728715 /nfs/dbraw/zinc/72/87/15/646728715.db2.gz SYLAWPMWHGVLFP-JTQLQIEISA-N 0 3 303.318 2.123 20 5 DEBDHN COCCOc1ccc(C(=O)OCC(C)[N+](=O)[O-])c(Cl)c1 ZINC000813103056 646729025 /nfs/dbraw/zinc/72/90/25/646729025.db2.gz MOGNTZWJQXNBAT-VIFPVBQESA-N 0 3 317.725 2.187 20 5 DEBDHN CC(COC(=O)C1(c2cccc(F)c2)CCOCC1)[N+](=O)[O-] ZINC000813104756 646729408 /nfs/dbraw/zinc/72/94/08/646729408.db2.gz RCKZGHDQFKKCTJ-NSHDSACASA-N 0 3 311.309 2.082 20 5 DEBDHN COc1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1OC(F)F ZINC000813106444 646729636 /nfs/dbraw/zinc/72/96/36/646729636.db2.gz CFSNNEQMTBDTNS-SSDOTTSWSA-N 0 3 305.233 2.119 20 5 DEBDHN Cc1ccc(Nc2cccc(C(=O)OCC(C)[N+](=O)[O-])c2)nn1 ZINC000813113966 646732924 /nfs/dbraw/zinc/73/29/24/646732924.db2.gz XEAIIAKSXTZCDP-LLVKDONJSA-N 0 3 316.317 2.351 20 5 DEBDHN COc1cc(C(=O)OCC(C)[N+](=O)[O-])sc1Br ZINC000813114074 646733331 /nfs/dbraw/zinc/73/33/31/646733331.db2.gz LUHLHIQRODMSPI-RXMQYKEDSA-N 0 3 324.152 2.341 20 5 DEBDHN O=[N+]([O-])c1cccnc1NC1CCN(C[C@H]2CCCO2)CC1 ZINC000917064515 647962576 /nfs/dbraw/zinc/96/25/76/647962576.db2.gz YFEWPEFLFNBGBR-CYBMUJFWSA-N 0 3 306.366 2.045 20 5 DEBDHN O=[N+]([O-])c1ccc(-c2noc([C@@H]3CN4CCC[C@@H]4CO3)n2)cc1 ZINC000923757085 648026913 /nfs/dbraw/zinc/02/69/13/648026913.db2.gz CNIOPVMACITMOJ-OLZOCXBDSA-N 0 3 316.317 2.181 20 5 DEBDHN Cc1ccc([C@H](C)NC(=O)N[C@H]2CCN(C)[C@H]2C)cc1[N+](=O)[O-] ZINC000921336870 648292087 /nfs/dbraw/zinc/29/20/87/648292087.db2.gz YXXMVXWOPTZWSF-OBJOEFQTSA-N 0 3 320.393 2.356 20 5 DEBDHN CC(C)[C@H]1CN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])CCN1 ZINC000826762255 648923242 /nfs/dbraw/zinc/92/32/42/648923242.db2.gz GFUUBUKCFGKBPF-CQSZACIVSA-N 0 3 323.368 2.123 20 5 DEBDHN CO[C@H](CNCc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CCOC1 ZINC000826822191 648931763 /nfs/dbraw/zinc/93/17/63/648931763.db2.gz MQTQHLARABMPOJ-SMDDNHRTSA-N 0 3 314.769 2.389 20 5 DEBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@@]3(CCOC3)C2)c1 ZINC000832348907 649700083 /nfs/dbraw/zinc/70/00/83/649700083.db2.gz UASPVTYITJKNNG-JKSUJKDBSA-N 0 3 306.362 2.131 20 5 DEBDHN Cc1cc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])n(C)n1 ZINC000845874709 651291287 /nfs/dbraw/zinc/29/12/87/651291287.db2.gz JUOULCCUJUGCLZ-IINYFYTJSA-N 0 3 321.308 2.431 20 5 DEBDHN CC([C@H](OC(=O)c1ccn(C)n1)c1ccccc1F)[N+](=O)[O-] ZINC000845876987 651291617 /nfs/dbraw/zinc/29/16/17/651291617.db2.gz CTZGISSEUDQCKS-RNCFNFMXSA-N 0 3 307.281 2.123 20 5 DEBDHN Cn1ncc(C2CC2)c1CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000849330339 651650496 /nfs/dbraw/zinc/65/04/96/651650496.db2.gz PCBXWHOIFFVVQA-MRXNPFEDSA-N 0 3 316.361 2.029 20 5 DEBDHN CC(C)[C@@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CCN1 ZINC000856485438 651940409 /nfs/dbraw/zinc/94/04/09/651940409.db2.gz NPBXSNPDYOJLCL-LBPRGKRZSA-N 0 3 311.769 2.318 20 5 DEBDHN CC(COC(=O)[C@@H](C(=O)OC(C)(C)C)C(C)(C)C)[N+](=O)[O-] ZINC000851036126 652049515 /nfs/dbraw/zinc/04/95/15/652049515.db2.gz FRXGRKSNJJIIFE-UWVGGRQHSA-N 0 3 303.355 2.199 20 5 DEBDHN CCN(C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C)C1 ZINC000854097230 652640554 /nfs/dbraw/zinc/64/05/54/652640554.db2.gz FVXOZALLEMFEDQ-SWLSCSKDSA-N 0 3 320.393 2.391 20 5 DEBDHN CCN(C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C)C1 ZINC000854097231 652640585 /nfs/dbraw/zinc/64/05/85/652640585.db2.gz FVXOZALLEMFEDQ-WFASDCNBSA-N 0 3 320.393 2.391 20 5 DEBDHN Cc1cc(N2C[C@@H]3COC(=O)[C@@H]3C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000858850601 685607919 /nfs/dbraw/zinc/60/79/19/685607919.db2.gz WKIUFWRVSKCAMF-ZWNOBZJWSA-N 0 3 313.313 2.061 20 5 DEBDHN Cc1ccc([C@H](C)NC2CCS(=O)(=O)CC2)cc1[N+](=O)[O-] ZINC000036330973 683880765 /nfs/dbraw/zinc/88/07/65/683880765.db2.gz JXTIAAFBZUDHAS-NSHDSACASA-N 0 3 312.391 2.131 20 5 DEBDHN CN(CCN1CCCC1)C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000160428642 684328213 /nfs/dbraw/zinc/32/82/13/684328213.db2.gz RBSRAHHXLCEROZ-UHFFFAOYSA-N 0 3 311.769 2.416 20 5 DEBDHN CN(C[C@@H]1CCCN1C)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000168649226 684331247 /nfs/dbraw/zinc/33/12/47/684331247.db2.gz FSZRVYAFNUIWRQ-NSHDSACASA-N 0 3 311.769 2.414 20 5 DEBDHN CC(COC(=O)CCCc1ccc2c(c1)OCCCO2)[N+](=O)[O-] ZINC000860777891 685960146 /nfs/dbraw/zinc/96/01/46/685960146.db2.gz YKWASIQVANUMHI-LBPRGKRZSA-N 0 3 323.345 2.379 20 5 DEBDHN COCCN1CCC[C@H]1COC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000861034101 685988020 /nfs/dbraw/zinc/98/80/20/685988020.db2.gz HKRVYMGAWNSPEM-AWEZNQCLSA-N 0 3 322.361 2.171 20 5 DEBDHN CC[C@@H](C[C@H](C)O)NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000865872671 687363210 /nfs/dbraw/zinc/36/32/10/687363210.db2.gz NYUIFCHRQVCELM-JQWIXIFHSA-N 0 3 310.350 2.005 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C)C(C)(C)CC1 ZINC000871153538 688736807 /nfs/dbraw/zinc/73/68/07/688736807.db2.gz PMDLIDAKRNUSFG-UHFFFAOYSA-N 0 3 305.378 2.460 20 5 DEBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)CC(C)(C)O ZINC000871975091 688904748 /nfs/dbraw/zinc/90/47/48/688904748.db2.gz VCKMGAJLEOTKBZ-HNNXBMFYSA-N 0 3 310.394 2.327 20 5 DEBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H]1CCCNC1=O ZINC000872080739 688923620 /nfs/dbraw/zinc/92/36/20/688923620.db2.gz YXHCTFSXLQITQE-GHMZBOCLSA-N 0 3 323.418 2.494 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000930861238 694257000 /nfs/dbraw/zinc/25/70/00/694257000.db2.gz BWSONVWZPHJQLQ-IUODEOHRSA-N 0 3 318.377 2.379 20 5 DEBDHN COc1cc(CNC[C@@H]2C[C@H]3CCC[C@H]3O2)c([N+](=O)[O-])cc1O ZINC000873156889 689173191 /nfs/dbraw/zinc/17/31/91/689173191.db2.gz OJFFPFQXSKWMOU-IFUGULHKSA-N 0 3 322.361 2.356 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000874828781 689504684 /nfs/dbraw/zinc/50/46/84/689504684.db2.gz IEKMAXBZAUVEHJ-STQMWFEESA-N 0 3 303.362 2.212 20 5 DEBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000874845480 689515987 /nfs/dbraw/zinc/51/59/87/689515987.db2.gz VOPCZLGVCTXVJT-UONOGXRCSA-N 0 3 307.325 2.043 20 5 DEBDHN O=C1NCCC12CCN(Cc1ccc([N+](=O)[O-])c(Cl)c1)CC2 ZINC000877782569 690226975 /nfs/dbraw/zinc/22/69/75/690226975.db2.gz DUUZDLHSPONZCW-UHFFFAOYSA-N 0 3 323.780 2.350 20 5 DEBDHN C[C@](CO)(NC[C@@H]1CC2(CCC2)CO1)c1cccc([N+](=O)[O-])c1 ZINC000879272205 690607815 /nfs/dbraw/zinc/60/78/15/690607815.db2.gz MFORFPLVTMTHJS-JKSUJKDBSA-N 0 3 320.389 2.351 20 5 DEBDHN Cn1cc(CN2CCCC[C@H](C3CCOCC3)C2)c([N+](=O)[O-])n1 ZINC000880579097 690931788 /nfs/dbraw/zinc/93/17/88/690931788.db2.gz YBWSNPQCKGPNAH-AWEZNQCLSA-N 0 3 322.409 2.357 20 5 DEBDHN Cc1ccc(CN2CCN(CCCCCO)CC2)cc1[N+](=O)[O-] ZINC000931492252 694412302 /nfs/dbraw/zinc/41/23/02/694412302.db2.gz KGUKVTYXMUELEH-UHFFFAOYSA-N 0 3 321.421 2.183 20 5 DEBDHN O=[N+]([O-])c1ccc(Cn2cc(CNC3CCCC3)nn2)cc1F ZINC000881212565 691050294 /nfs/dbraw/zinc/05/02/94/691050294.db2.gz GQVHGXGWUZFVKV-UHFFFAOYSA-N 0 3 319.340 2.406 20 5 DEBDHN O=[N+]([O-])c1ccc(F)cc1Cn1cc(CNC2CCCC2)nn1 ZINC000881226309 691052437 /nfs/dbraw/zinc/05/24/37/691052437.db2.gz OVMZBMAKBHNPIL-UHFFFAOYSA-N 0 3 319.340 2.406 20 5 DEBDHN O=[N+]([O-])c1ccc2c(cnn2CN2CC[C@@H]([C@H]3CCCO3)C2)c1 ZINC000884483278 691748874 /nfs/dbraw/zinc/74/88/74/691748874.db2.gz QRTRGQCEDCQIDM-MLGOLLRUSA-N 0 3 316.361 2.403 20 5 DEBDHN O=C(OCc1cccnc1[N+](=O)[O-])C1CN(C2CCCCC2)C1 ZINC000884548927 691761153 /nfs/dbraw/zinc/76/11/53/691761153.db2.gz VUQGATYWWHQZKM-UHFFFAOYSA-N 0 3 319.361 2.298 20 5 DEBDHN CCOc1cc(NC(=O)N[C@@H]2CCN(C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000931902196 694501399 /nfs/dbraw/zinc/50/13/99/694501399.db2.gz GCBGZMYPEAWRLT-CMPLNLGQSA-N 0 3 322.365 2.208 20 5 DEBDHN CCOc1cc(NC(=O)N[C@H]2CCN(C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000931902200 694501615 /nfs/dbraw/zinc/50/16/15/694501615.db2.gz GCBGZMYPEAWRLT-PWSUYJOCSA-N 0 3 322.365 2.208 20 5 DEBDHN O=[N+]([O-])c1ccn(CCN2CC[C@]3(CC(F)(F)C3(F)F)C2)n1 ZINC000931917349 694505790 /nfs/dbraw/zinc/50/57/90/694505790.db2.gz XUXOZSQRDXSEPT-JTQLQIEISA-N 0 3 322.262 2.158 20 5 DEBDHN CCOc1cc(CN2CC[C@@H](C3OCCO3)C2)ccc1[N+](=O)[O-] ZINC000932000880 694522707 /nfs/dbraw/zinc/52/27/07/694522707.db2.gz HJWTXCZIEQYBIJ-CYBMUJFWSA-N 0 3 322.361 2.188 20 5 DEBDHN CC[C@H](C)N[C@@H](CNc1c([N+](=O)[O-])cnn1C)c1ccco1 ZINC001333766141 1150088464 /nfs/dbraw/zinc/08/84/64/1150088464.db2.gz BRICIVBJYHGIAH-QWRGUYRKSA-N 0 3 307.354 2.463 20 5 DEBDHN CCOc1nc(N2CCN(CC(C)C)CC2)ccc1[N+](=O)[O-] ZINC001164655004 719335666 /nfs/dbraw/zinc/33/56/66/719335666.db2.gz YJDJSGHPGNTCIU-UHFFFAOYSA-N 0 3 308.382 2.167 20 5 DEBDHN COc1ccc(CNC(=O)[C@H](N)C2CCCCC2)cc1[N+](=O)[O-] ZINC001332434475 1149859483 /nfs/dbraw/zinc/85/94/83/1149859483.db2.gz BJQHBMHHZYASFW-OAHLLOKOSA-N 0 3 321.377 2.127 20 5 DEBDHN Cc1ccc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)s1 ZINC001122716254 782695944 /nfs/dbraw/zinc/69/59/44/782695944.db2.gz ZRHQBVJADBQLDS-UHFFFAOYSA-N 0 3 319.386 2.484 20 5 DEBDHN COC[C@H](CCNCc1cc(Cl)ccc1[N+](=O)[O-])OC ZINC000694631814 777899429 /nfs/dbraw/zinc/89/94/29/777899429.db2.gz UBXLGOUXYRQOCC-LBPRGKRZSA-N 0 3 302.758 2.389 20 5 DEBDHN Cc1cc(NCC2CN(C)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001170253094 786889375 /nfs/dbraw/zinc/88/93/75/786889375.db2.gz FXRVSMRMKFBUNK-UHFFFAOYSA-N 0 3 313.361 2.334 20 5 DEBDHN CCN([C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C1CN(C)C1 ZINC001170351224 786931962 /nfs/dbraw/zinc/93/19/62/786931962.db2.gz BIYLYCPDDKGCJU-LBPRGKRZSA-N 0 3 307.394 2.170 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(NCCCNC(=O)CN(C)C(C)C)c1 ZINC001094457045 792931989 /nfs/dbraw/zinc/93/19/89/792931989.db2.gz XMUWACFKABBDAP-UHFFFAOYSA-N 0 3 322.409 2.162 20 5 DEBDHN COc1cnc(N2CCNC[C@@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC001156097015 797924507 /nfs/dbraw/zinc/92/45/07/797924507.db2.gz FDUWIQIYPULIIH-GFCCVEGCSA-N 0 3 320.374 2.211 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CN(C)CC1(C)C ZINC001156596980 798039193 /nfs/dbraw/zinc/03/91/93/798039193.db2.gz CTYRFXJESWELAB-CQSZACIVSA-N 0 3 305.378 2.282 20 5 DEBDHN CC(C)N1CCN(c2ncnc3cccc([N+](=O)[O-])c32)C[C@@H]1C ZINC001158501323 798417882 /nfs/dbraw/zinc/41/78/82/798417882.db2.gz ROCOYKYZSYETED-LBPRGKRZSA-N 0 3 315.377 2.457 20 5 DEBDHN O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CCNC2(CC2)C1 ZINC001158936831 798492322 /nfs/dbraw/zinc/49/23/22/798492322.db2.gz SEOJNDLVILXSQW-UHFFFAOYSA-N 0 3 303.149 2.239 20 5 DEBDHN Cc1cc(N[C@H](C)[C@@H]2CNCCO2)nc2ccc([N+](=O)[O-])cc12 ZINC001159494861 798572019 /nfs/dbraw/zinc/57/20/19/798572019.db2.gz APEWDDXEMOMTTO-ABAIWWIYSA-N 0 3 316.361 2.240 20 5 DEBDHN CN1CCN(CCCNc2cc3cc[nH]c3c([N+](=O)[O-])c2)CC1 ZINC001161708465 798919058 /nfs/dbraw/zinc/91/90/58/798919058.db2.gz LHVBXHGASNWYNG-UHFFFAOYSA-N 0 3 317.393 2.126 20 5 DEBDHN CCOC(=O)c1ccnc(N[C@]2(C)CCCN(C)C2)c1[N+](=O)[O-] ZINC001162340989 799066674 /nfs/dbraw/zinc/06/66/74/799066674.db2.gz YCABDIVBVJBQQV-OAHLLOKOSA-N 0 3 322.365 2.063 20 5 DEBDHN COc1ccnc(-n2c3ccccc3nc2[C@@H](C)N)c1[N+](=O)[O-] ZINC001162758516 799167335 /nfs/dbraw/zinc/16/73/35/799167335.db2.gz KQMVAUXWOBPOMV-SECBINFHSA-N 0 3 313.317 2.357 20 5 DEBDHN Cc1cc(CN)nn1-c1nc2cc([N+](=O)[O-])ccc2nc1Cl ZINC001163979799 799471313 /nfs/dbraw/zinc/47/13/13/799471313.db2.gz JTYUBRGPNYZNQK-UHFFFAOYSA-N 0 3 318.724 2.144 20 5 DEBDHN C[C@@H](Cc1cccnc1)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000934231908 800296864 /nfs/dbraw/zinc/29/68/64/800296864.db2.gz AAWHTANXIQQKCB-LBPRGKRZSA-N 0 3 314.345 2.149 20 5 DEBDHN CCN1CCC[C@@H](Oc2cccc([N+](=O)[O-])c2C(=O)OC)C1 ZINC001229049501 801215313 /nfs/dbraw/zinc/21/53/13/801215313.db2.gz BVOUTLJYHWOEHE-LLVKDONJSA-N 0 3 308.334 2.245 20 5 DEBDHN CC(=O)Nc1cc(O[C@H](C)CN(C)C)c(C(C)=O)cc1[N+](=O)[O-] ZINC001229128514 801227788 /nfs/dbraw/zinc/22/77/88/801227788.db2.gz XODRBOWHBTWXSD-SECBINFHSA-N 0 3 323.349 2.085 20 5 DEBDHN O=[N+]([O-])c1ccc2nc(O[C@H]3CCC[C@]34CC[NH2+]C4)[n-]c2c1 ZINC001218096084 802141653 /nfs/dbraw/zinc/14/16/53/802141653.db2.gz RYCPOTXHOYQBMT-DZGCQCFKSA-N 0 3 302.334 2.382 20 5 DEBDHN O=[N+]([O-])c1ccc2[n-]c(O[C@H]3CCC[C@]34CC[NH2+]C4)nc2c1 ZINC001218096084 802141656 /nfs/dbraw/zinc/14/16/56/802141656.db2.gz RYCPOTXHOYQBMT-DZGCQCFKSA-N 0 3 302.334 2.382 20 5 DEBDHN CCOc1ccc2c(c1)c(=N)c1ccc(N)cc1n2C(=O)[C@@H](C)N ZINC001219005130 802273400 /nfs/dbraw/zinc/27/34/00/802273400.db2.gz DCIJOZKKYLEZQU-SNVBAGLBSA-N 0 3 324.384 2.242 20 5 DEBDHN O=[N+]([O-])c1ccc2oc(CO[C@@H]3CN4CCC3CC4)nc2c1 ZINC001222928024 802749782 /nfs/dbraw/zinc/74/97/82/802749782.db2.gz BDDZPPWGVSXPLM-CQSZACIVSA-N 0 3 303.318 2.347 20 5 DEBDHN COCCN(C)CCNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001331112058 1149382759 /nfs/dbraw/zinc/38/27/59/1149382759.db2.gz DGBOBSIJPLIZBM-UHFFFAOYSA-N 0 3 304.350 2.133 20 5 DEBDHN CCN1CCCN(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001344749126 1150839457 /nfs/dbraw/zinc/83/94/57/1150839457.db2.gz OGCRYPVYCGIAMH-UHFFFAOYSA-N 0 3 322.365 2.163 20 5 DEBDHN CSc1cccc(C(=O)N2C[C@H]3CCN(C)[C@H]3C2)c1[N+](=O)[O-] ZINC001526564341 1070309557 /nfs/dbraw/zinc/30/95/57/1070309557.db2.gz BSVLWHAQGAOJJR-PWSUYJOCSA-N 0 3 321.402 2.093 20 5 DEBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001465899236 1059382125 /nfs/dbraw/zinc/38/21/25/1059382125.db2.gz ABWJEOPIEHOHDU-JOYOIKCWSA-N 0 3 323.780 2.461 20 5 DEBDHN CC(C)N1CCC[C@@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC001466716680 1059521408 /nfs/dbraw/zinc/52/14/08/1059521408.db2.gz NZUCLRBYPFOGDR-GFCCVEGCSA-N 0 3 309.341 2.337 20 5 DEBDHN CN1CCC[C@@H](NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001628635030 1078301282 /nfs/dbraw/zinc/30/12/82/1078301282.db2.gz SLACDPNLNGJSSJ-LLVKDONJSA-N 0 3 311.769 2.001 20 5 DEBDHN Cc1c(CN)c(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])nn1C ZINC001579531837 1067363982 /nfs/dbraw/zinc/36/39/82/1067363982.db2.gz CLQWTIXXDCGJPS-UHFFFAOYSA-N 0 3 323.740 2.001 20 5 DEBDHN CC[C@@H]1CN[C@@H](CC)CN1C(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC001573719786 1069079166 /nfs/dbraw/zinc/07/91/66/1069079166.db2.gz PQZOYWYYQOMSTC-NWDGAFQWSA-N 0 3 321.377 2.206 20 5 DEBDHN CC[C@@H]1CN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])[C@@H](CC)CN1 ZINC001573719785 1069079188 /nfs/dbraw/zinc/07/91/88/1069079188.db2.gz PQZOYWYYQOMSTC-NEPJUHHUSA-N 0 3 321.377 2.206 20 5 DEBDHN CN(C)C[C@@H](CO)Nc1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC001559204153 1075115162 /nfs/dbraw/zinc/11/51/62/1075115162.db2.gz WUYOVCTXUQPVGD-ZETCQYMHSA-N 0 3 308.165 2.236 20 5 DEBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCCn3cncn3)o2)cc1 ZINC001560324458 1075136998 /nfs/dbraw/zinc/13/69/98/1075136998.db2.gz MWXRKDVGRSJUHT-UHFFFAOYSA-N 0 3 313.317 2.236 20 5 DEBDHN CC(C)c1ccc(CNC(C)(C)CNC(N)=O)cc1[N+](=O)[O-] ZINC001560609254 1075142978 /nfs/dbraw/zinc/14/29/78/1075142978.db2.gz CRHOKEKNQQBJLZ-UHFFFAOYSA-N 0 3 308.382 2.255 20 5 DEBDHN NCc1cn(-c2cccc(CNc3ccccc3[N+](=O)[O-])c2)nn1 ZINC001580349091 1075908086 /nfs/dbraw/zinc/90/80/86/1075908086.db2.gz HQRIJOUYAPAHAA-UHFFFAOYSA-N 0 3 324.344 2.246 20 5 DEBDHN CC1(C)CCC[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609145375 1077772071 /nfs/dbraw/zinc/77/20/71/1077772071.db2.gz LXVNLDKHJVQFSG-CYBMUJFWSA-N 0 3 316.365 2.443 20 5 DEBDHN CC1(C)CCC[C@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609145375 1077772076 /nfs/dbraw/zinc/77/20/76/1077772076.db2.gz LXVNLDKHJVQFSG-CYBMUJFWSA-N 0 3 316.365 2.443 20 5 DEBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)C1C=CC=CC=C1 ZINC001128383781 1085749185 /nfs/dbraw/zinc/74/91/85/1085749185.db2.gz CPHGJUNBWVWZRE-UHFFFAOYSA-N 0 3 313.357 2.099 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CCC[C@H]1C(=O)OC ZINC001320709616 1140896702 /nfs/dbraw/zinc/89/67/02/1140896702.db2.gz WPLDBZYBBHUOIM-KGLIPLIRSA-N 0 3 322.361 2.425 20 5 DEBDHN COc1ccc(CN[C@H](C)Cc2ccccc2[N+](=O)[O-])nn1 ZINC001254540679 1143242533 /nfs/dbraw/zinc/24/25/33/1143242533.db2.gz UFVFIIQKHROOTN-LLVKDONJSA-N 0 3 302.334 2.114 20 5 DEBDHN CC(=O)N(C)[C@H]1CCN([C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254566353 1143250438 /nfs/dbraw/zinc/25/04/38/1143250438.db2.gz STXAMEXJUDDDSU-DOMZBBRYSA-N 0 3 305.378 2.078 20 5 DEBDHN O=C1Nc2ccccc2C[C@@H]1N[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581791 1143263685 /nfs/dbraw/zinc/26/36/85/1143263685.db2.gz MTFQGTHPMLCXRE-PBHICJAKSA-N 0 3 323.352 2.215 20 5 DEBDHN O=C1Nc2ccccc2C[C@H]1N[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581792 1143264252 /nfs/dbraw/zinc/26/42/52/1143264252.db2.gz MTFQGTHPMLCXRE-RHSMWYFYSA-N 0 3 323.352 2.215 20 5 DEBDHN CCOCCN(CCOCC)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254602440 1143278036 /nfs/dbraw/zinc/27/80/36/1143278036.db2.gz FXBFESRJBFDUTP-KRWDZBQOSA-N 0 3 322.405 2.437 20 5 DEBDHN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@]1(C)CN2CCC1CC2 ZINC001278807312 1143316614 /nfs/dbraw/zinc/31/66/14/1143316614.db2.gz XHHSVPHRPJZXKS-INIZCTEOSA-N 0 3 321.352 2.256 20 5 DEBDHN CC[C@H](N[C@H]1CC(=O)N(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000181222903 199267990 /nfs/dbraw/zinc/26/79/90/199267990.db2.gz KWBADTDQNBTNDM-WFASDCNBSA-N 0 3 303.362 2.399 20 5 DEBDHN C[C@@H]1CN(C2CCOCC2)CCN1c1cccc(F)c1[N+](=O)[O-] ZINC000278663301 214309527 /nfs/dbraw/zinc/30/95/27/214309527.db2.gz BYXBJIDNTYSMQK-GFCCVEGCSA-N 0 3 323.368 2.423 20 5 DEBDHN CCOc1ccc([C@H](C)NC[C@@]2(O)CCO[C@@H]2C)cc1[N+](=O)[O-] ZINC000278698491 214335764 /nfs/dbraw/zinc/33/57/64/214335764.db2.gz HHMXXUMCYWEIJI-OZVIIMIRSA-N 0 3 324.377 2.184 20 5 DEBDHN Cc1c(Br)c(N[C@H](C)CN(C)C)ncc1[N+](=O)[O-] ZINC000165797705 197682053 /nfs/dbraw/zinc/68/20/53/197682053.db2.gz WCEWJNHGQMJPKN-SSDOTTSWSA-N 0 3 317.187 2.423 20 5 DEBDHN CCNC(=O)N1CC[C@H](N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000090410248 185294711 /nfs/dbraw/zinc/29/47/11/185294711.db2.gz QWBSSTNZCPBUFK-YPMHNXCESA-N 0 3 306.366 2.049 20 5 DEBDHN CN(CCCNC(=O)CCC(C)(C)[N+](=O)[O-])Cc1ccccc1 ZINC000294580525 529889133 /nfs/dbraw/zinc/88/91/33/529889133.db2.gz XZNUUKSFMAKTDH-UHFFFAOYSA-N 0 3 321.421 2.460 20 5 DEBDHN C[C@H](NC(=O)NCCN1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000297600277 299154644 /nfs/dbraw/zinc/15/46/44/299154644.db2.gz FTYIIJFLGJIXLS-ZDUSSCGKSA-N 0 3 320.393 2.441 20 5 DEBDHN O=C([C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1)N1CCCC1 ZINC000331748483 234077253 /nfs/dbraw/zinc/07/72/53/234077253.db2.gz YJUCNXACYAIDGX-HNNXBMFYSA-N 0 3 317.389 2.429 20 5 DEBDHN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC(N2CC=CC2)CC1 ZINC000174371468 198326759 /nfs/dbraw/zinc/32/67/59/198326759.db2.gz ONKJCKDQRZAOJX-UHFFFAOYSA-N 0 3 316.361 2.463 20 5 DEBDHN CCN(CCn1cc([N+](=O)[O-])cn1)Cc1ccc(OC)cc1 ZINC000174822808 198390002 /nfs/dbraw/zinc/39/00/02/198390002.db2.gz NCEZDHUQPMCXLS-UHFFFAOYSA-N 0 3 304.350 2.322 20 5 DEBDHN C[C@H](C(=O)NCC1(N(C)C)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000617768790 363259008 /nfs/dbraw/zinc/25/90/08/363259008.db2.gz AQZCXBYRACYAMO-LBPRGKRZSA-N 0 3 305.378 2.299 20 5 DEBDHN Cc1nn(C)c(NC[C@H](c2cccs2)N(C)C)c1[N+](=O)[O-] ZINC000047331000 354313762 /nfs/dbraw/zinc/31/37/62/354313762.db2.gz HROBFKAOCSUPLP-SNVBAGLBSA-N 0 3 309.395 2.413 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1CN1CCN(CC(C)C)CC1 ZINC000067132463 354748483 /nfs/dbraw/zinc/74/84/83/354748483.db2.gz QNQKHGWVVFSRRT-UHFFFAOYSA-N 0 3 307.394 2.377 20 5 DEBDHN O=[N+]([O-])c1ccc(N2CCC(CN3CCOCC3)CC2)cc1 ZINC000079928803 355337464 /nfs/dbraw/zinc/33/74/64/355337464.db2.gz XJQZOYLCGNEICF-UHFFFAOYSA-N 0 3 305.378 2.143 20 5 DEBDHN COCc1cc([N+](=O)[O-])ccc1NCCN1CCC(OC)CC1 ZINC000080249843 355354839 /nfs/dbraw/zinc/35/48/39/355354839.db2.gz ANZSPQIOLRPVEA-UHFFFAOYSA-N 0 3 323.393 2.264 20 5 DEBDHN CCN1CCN(CCCNc2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000088700813 355518349 /nfs/dbraw/zinc/51/83/49/355518349.db2.gz JJXPRRDZMIYEJG-UHFFFAOYSA-N 0 3 306.410 2.343 20 5 DEBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000136992623 355868784 /nfs/dbraw/zinc/86/87/84/355868784.db2.gz FKIAESUYJZGINB-LLVKDONJSA-N 0 3 323.780 2.462 20 5 DEBDHN COC(=O)[C@H](C)CN(CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000171298765 355999961 /nfs/dbraw/zinc/99/99/61/355999961.db2.gz GETMVTZLXRGKLG-GFCCVEGCSA-N 0 3 322.361 2.247 20 5 DEBDHN COC[C@@](C)(O)CN[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000581418669 357183924 /nfs/dbraw/zinc/18/39/24/357183924.db2.gz LIQRLHCSNLAOTI-CVEARBPZSA-N 0 3 308.378 2.349 20 5 DEBDHN CN1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000581989563 357279644 /nfs/dbraw/zinc/27/96/44/357279644.db2.gz WNORWWISCPIUCU-VBNZEHGJSA-N 0 3 317.389 2.156 20 5 DEBDHN C[C@@H]1C[C@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)CS1 ZINC000591263777 357696569 /nfs/dbraw/zinc/69/65/69/357696569.db2.gz MATZXUPLLIURFA-KOLCDFICSA-N 0 3 310.375 2.350 20 5 DEBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCNCC2(C)C)c1 ZINC000591678505 357750926 /nfs/dbraw/zinc/75/09/26/357750926.db2.gz VTMQRSOPJBCCEH-UHFFFAOYSA-N 0 3 309.391 2.141 20 5 DEBDHN CC(C)OC1CC(N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000459365309 283299429 /nfs/dbraw/zinc/29/94/29/283299429.db2.gz ADPOSAGXJBCJLM-GRTSSRMGSA-N 0 3 320.393 2.432 20 5 DEBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCN[C@@H](C(C)C)C1 ZINC000592543796 357900636 /nfs/dbraw/zinc/90/06/36/357900636.db2.gz LEBKJZQYKXCNNP-GFCCVEGCSA-N 0 3 321.377 2.064 20 5 DEBDHN C[C@@H](NCCN1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000592992661 357983361 /nfs/dbraw/zinc/98/33/61/357983361.db2.gz AMBPSRMBECUTSR-HZSPNIEDSA-N 0 3 307.394 2.355 20 5 DEBDHN CN(C)C[C@H]1CCCCN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593450946 358081042 /nfs/dbraw/zinc/08/10/42/358081042.db2.gz HFRDLBACOMFMGD-CQSZACIVSA-N 0 3 323.368 2.219 20 5 DEBDHN O=C(N[C@H]1CCCN2CCCC[C@@H]12)c1cc(F)cc([N+](=O)[O-])c1 ZINC000594196804 358221550 /nfs/dbraw/zinc/22/15/50/358221550.db2.gz NGLKSHRKZBGKMT-GJZGRUSLSA-N 0 3 321.352 2.481 20 5 DEBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594201713 358222941 /nfs/dbraw/zinc/22/29/41/358222941.db2.gz PXFBCANQVAQHBN-HZPDHXFCSA-N 0 3 317.389 2.270 20 5 DEBDHN CC(C)Oc1nc(N2CC[C@@H]3CCN(C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000594576827 358296399 /nfs/dbraw/zinc/29/63/99/358296399.db2.gz BGTQIRVHGXDOOK-JSGCOSHPSA-N 0 3 320.393 2.307 20 5 DEBDHN COC(=O)c1cnc(N[C@@H](C)CN2CCCCC2)c([N+](=O)[O-])c1 ZINC000276629558 213011656 /nfs/dbraw/zinc/01/16/56/213011656.db2.gz VYJRFBRQGDUTHV-NSHDSACASA-N 0 3 322.365 2.063 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCc1cnn(C)c1 ZINC000595010363 358377537 /nfs/dbraw/zinc/37/75/37/358377537.db2.gz BJAIESFOJNQTNV-NSHDSACASA-N 0 3 304.350 2.230 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC[C@]1(O)CCCOC1 ZINC000595044847 358382554 /nfs/dbraw/zinc/38/25/54/358382554.db2.gz GJZXUKOJZUFXOB-BLLLJJGKSA-N 0 3 324.377 2.186 20 5 DEBDHN O=[N+]([O-])c1cnn(CCN2CCC([C@@H]3CCCCO3)CC2)c1 ZINC000595781733 358548698 /nfs/dbraw/zinc/54/86/98/358548698.db2.gz GNSVYONVHWMYIR-HNNXBMFYSA-N 0 3 308.382 2.072 20 5 DEBDHN O=C1CCCN1C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000595831091 358558245 /nfs/dbraw/zinc/55/82/45/358558245.db2.gz ICCRCRVXDSHJLI-CQSZACIVSA-N 0 3 303.362 2.039 20 5 DEBDHN C[C@@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])[C@H]1CCO ZINC000595703598 358528163 /nfs/dbraw/zinc/52/81/63/358528163.db2.gz UQIDVHBUGIHGIR-KGLIPLIRSA-N 0 3 308.378 2.457 20 5 DEBDHN C[C@H]1C[C@H](C)C[NH+](CCCNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596077162 358604839 /nfs/dbraw/zinc/60/48/39/358604839.db2.gz LLVLHWGKYGKEFZ-RYUDHWBXSA-N 0 3 308.382 2.475 20 5 DEBDHN CN(CC[N@H+](C)C1CCCCC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596088278 358607951 /nfs/dbraw/zinc/60/79/51/358607951.db2.gz NYHDTYKJFVORRI-UHFFFAOYSA-N 0 3 308.382 2.396 20 5 DEBDHN CN(CC[N@@H+](C)C1CCCCC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596088278 358607953 /nfs/dbraw/zinc/60/79/53/358607953.db2.gz NYHDTYKJFVORRI-UHFFFAOYSA-N 0 3 308.382 2.396 20 5 DEBDHN CCn1nccc1CN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000596094816 358609315 /nfs/dbraw/zinc/60/93/15/358609315.db2.gz MLJPDMXNCMIYIO-KGLIPLIRSA-N 0 3 318.381 2.281 20 5 DEBDHN Cc1ccc(CN2CC[C@H](CN3CCCC3=O)C2)cc1[N+](=O)[O-] ZINC000597230784 358862589 /nfs/dbraw/zinc/86/25/89/358862589.db2.gz ZBPUEVKDKXZNON-HNNXBMFYSA-N 0 3 317.389 2.348 20 5 DEBDHN CSC1(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000618969187 363651508 /nfs/dbraw/zinc/65/15/08/363651508.db2.gz XUVQNODMHNNLDT-UHFFFAOYSA-N 0 3 310.375 2.351 20 5 DEBDHN CN(C)CC1(NC(=O)CCc2cccc([N+](=O)[O-])c2)CCC1 ZINC000281008782 216018356 /nfs/dbraw/zinc/01/83/56/216018356.db2.gz FBZXALKJYDOISW-UHFFFAOYSA-N 0 3 305.378 2.128 20 5 DEBDHN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CCCN1CCCCC1 ZINC000187657997 200141099 /nfs/dbraw/zinc/14/10/99/200141099.db2.gz GVKOCJHVAZOROU-UHFFFAOYSA-N 0 3 317.345 2.067 20 5 DEBDHN Cc1ccc(NCCCNC(=O)[C@@H](N)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000237608150 202301571 /nfs/dbraw/zinc/30/15/71/202301571.db2.gz SYMOWMLDNFKWER-CQSZACIVSA-N 0 3 322.409 2.195 20 5 DEBDHN CN1CC[C@@H]2CN(C(=O)Nc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000601253113 359982399 /nfs/dbraw/zinc/98/23/99/359982399.db2.gz FDUZOUCXZPLFRH-NEPJUHHUSA-N 0 3 304.350 2.010 20 5 DEBDHN O=C(NCC12CCCN1CCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000601540812 360066837 /nfs/dbraw/zinc/06/68/37/360066837.db2.gz KRLNBLABISIPJT-UHFFFAOYSA-N 0 3 307.325 2.092 20 5 DEBDHN CO[C@@]1(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCOC1 ZINC000602440133 360374023 /nfs/dbraw/zinc/37/40/23/360374023.db2.gz NXZGQYSLWZREPM-MRXNPFEDSA-N 0 3 306.362 2.365 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1CNC[C@H](OC)C1CCOCC1 ZINC000602549679 360428602 /nfs/dbraw/zinc/42/86/02/360428602.db2.gz JXGNTVZFWWEEEJ-INIZCTEOSA-N 0 3 324.377 2.135 20 5 DEBDHN O=[N+]([O-])c1sc(CNCCCCO)cc1Br ZINC000602641926 360472741 /nfs/dbraw/zinc/47/27/41/360472741.db2.gz VOVQDMHZXULLMN-UHFFFAOYSA-N 0 3 309.185 2.281 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCS[C@@H]2CCCC[C@H]21 ZINC000602789194 360555166 /nfs/dbraw/zinc/55/51/66/360555166.db2.gz SPAMEGOBCQNEJP-CHWSQXEVSA-N 0 3 310.423 2.460 20 5 DEBDHN Cc1cc(C2CCN(CCn3c(C)ncc3[N+](=O)[O-])CC2)n[nH]1 ZINC000602801100 360561943 /nfs/dbraw/zinc/56/19/43/360561943.db2.gz ZRUQWRFYRICWGY-UHFFFAOYSA-N 0 3 318.381 2.011 20 5 DEBDHN Cc1cc(C2CCN(CCn3c(C)ncc3[N+](=O)[O-])CC2)[nH]n1 ZINC000602801100 360561947 /nfs/dbraw/zinc/56/19/47/360561947.db2.gz ZRUQWRFYRICWGY-UHFFFAOYSA-N 0 3 318.381 2.011 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)C[C@@H](C)c1nccs1 ZINC000602805712 360564651 /nfs/dbraw/zinc/56/46/51/360564651.db2.gz OSFGWQQJXAYJKB-SNVBAGLBSA-N 0 3 309.395 2.292 20 5 DEBDHN Cc1cc(NCCN2CCN(C)C(C)(C)C2)c(F)cc1[N+](=O)[O-] ZINC000292713276 223213345 /nfs/dbraw/zinc/21/33/45/223213345.db2.gz SWYBKIJKLVSHPI-UHFFFAOYSA-N 0 3 324.400 2.480 20 5 DEBDHN CCN1CCN(CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000611091974 361525842 /nfs/dbraw/zinc/52/58/42/361525842.db2.gz FFGDFGYROUBFJM-CQSZACIVSA-N 0 3 307.394 2.390 20 5 DEBDHN CCN(C[C@H]1CCOC1)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000611204896 361547090 /nfs/dbraw/zinc/54/70/90/361547090.db2.gz APFFQTUGJZXCFW-CHWSQXEVSA-N 0 3 321.377 2.280 20 5 DEBDHN C[C@@H]1CN(c2sccc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000611414302 361595716 /nfs/dbraw/zinc/59/57/16/361595716.db2.gz QZIIWCMKGJPOAZ-CHWSQXEVSA-N 0 3 324.450 2.119 20 5 DEBDHN C[C@H](CCO)N(CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000093303004 193226197 /nfs/dbraw/zinc/22/61/97/193226197.db2.gz OACMZZYVSIOBJB-CQSZACIVSA-N 0 3 318.377 2.064 20 5 DEBDHN COC(=O)[C@H]1CC12CCN(CCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000265087534 204387585 /nfs/dbraw/zinc/38/75/85/204387585.db2.gz SZODMYGNNVVWSQ-OAHLLOKOSA-N 0 3 318.373 2.412 20 5 DEBDHN O=[N+]([O-])c1ccccc1CNC[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000282944328 217342289 /nfs/dbraw/zinc/34/22/89/217342289.db2.gz XIWNJZFCBFHICA-ZBFHGGJFSA-N 0 3 320.389 2.252 20 5 DEBDHN CC1CCN(CC(=O)N(C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000288490776 220177445 /nfs/dbraw/zinc/17/74/45/220177445.db2.gz VYUQHTTVDJJQGD-UHFFFAOYSA-N 0 3 319.405 2.328 20 5 DEBDHN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[C@@H](N2CCCC2)C1 ZINC000133849210 296217527 /nfs/dbraw/zinc/21/75/27/296217527.db2.gz FYAJSAFCYUXTTB-GFCCVEGCSA-N 0 3 307.325 2.044 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCN1CCO[C@H](C)C1 ZINC000531704555 284598698 /nfs/dbraw/zinc/59/86/98/284598698.db2.gz HTGNPLJTZIYYFO-ZIAGYGMSSA-N 0 3 307.394 2.275 20 5 DEBDHN CN(C)CC1(NC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CCC1 ZINC000492620605 249101803 /nfs/dbraw/zinc/10/18/03/249101803.db2.gz SUKYPQYNOSTJNV-FNORWQNLSA-N 0 3 321.352 2.348 20 5 DEBDHN CSc1ccc(C(=O)N2CCC[C@@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000106363557 194201016 /nfs/dbraw/zinc/20/10/16/194201016.db2.gz PPZXUSXWUITYRK-GFCCVEGCSA-N 0 3 323.418 2.483 20 5 DEBDHN COCCN(C)CCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192807146 284958706 /nfs/dbraw/zinc/95/87/06/284958706.db2.gz LKOBULITXWNTBQ-MRXNPFEDSA-N 0 3 307.394 2.140 20 5 DEBDHN O=[N+]([O-])c1cccc(CN2CCC[C@H](Cn3ccnn3)C2)c1 ZINC000119688153 195017992 /nfs/dbraw/zinc/01/79/92/195017992.db2.gz VCURSXSFTFNFMU-AWEZNQCLSA-N 0 3 301.350 2.099 20 5 DEBDHN O=[N+]([O-])c1cccc(CN2CCC[C@@H](Cn3ccnn3)C2)c1 ZINC000119688320 195018125 /nfs/dbraw/zinc/01/81/25/195018125.db2.gz VCURSXSFTFNFMU-CQSZACIVSA-N 0 3 301.350 2.099 20 5 DEBDHN CCC1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000272897627 210288061 /nfs/dbraw/zinc/28/80/61/210288061.db2.gz CFMACJDUAHBYSM-AWEZNQCLSA-N 0 3 308.378 2.457 20 5 DEBDHN O=[N+]([O-])c1cnn(CCN2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC000268004711 285189313 /nfs/dbraw/zinc/18/93/13/285189313.db2.gz DUTXKTGFHVAABC-CYBMUJFWSA-N 0 3 304.325 2.420 20 5 DEBDHN COC[C@@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)C ZINC000543454996 285288350 /nfs/dbraw/zinc/28/83/50/285288350.db2.gz RHTMTOPVEVLAKO-CQSZACIVSA-N 0 3 310.350 2.222 20 5 DEBDHN CCCN1CCC[C@@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000355527827 133031767 /nfs/dbraw/zinc/03/17/67/133031767.db2.gz QFGFGLIURUPTMH-CQSZACIVSA-N 0 3 321.377 2.094 20 5 DEBDHN COC(=O)COc1ccc(CN2CC[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000355733514 133044791 /nfs/dbraw/zinc/04/47/91/133044791.db2.gz LKKSXTHXIYQGFO-RYUDHWBXSA-N 0 3 322.361 2.377 20 5 DEBDHN CCN1CCN([C@@H](C)CNc2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000359904906 133151693 /nfs/dbraw/zinc/15/16/93/133151693.db2.gz UGDGYPPSIRESTJ-ZDUSSCGKSA-N 0 3 324.400 2.480 20 5 DEBDHN O=[N+]([O-])c1cc(CN2CCC3(CCO3)CC2)c2c(c1)COCO2 ZINC000368521100 133276783 /nfs/dbraw/zinc/27/67/83/133276783.db2.gz BNFMYJYTPAVSQH-UHFFFAOYSA-N 0 3 320.345 2.216 20 5 DEBDHN Cc1ccncc1CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373298360 133386164 /nfs/dbraw/zinc/38/61/64/133386164.db2.gz HVRGGIQNSZBQJC-UHFFFAOYSA-N 0 3 301.350 2.332 20 5 DEBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)CN1CCC(C)(C)C1 ZINC000564667787 292104542 /nfs/dbraw/zinc/10/45/42/292104542.db2.gz PHLAWWOZAOTOEW-UHFFFAOYSA-N 0 3 319.405 2.328 20 5 DEBDHN CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1NCCc2ccccc21 ZINC000261834819 145232140 /nfs/dbraw/zinc/23/21/40/145232140.db2.gz IHHQOUPVNZCERZ-CQSZACIVSA-N 0 3 315.377 2.419 20 5 DEBDHN C[C@H](N[C@@H]1CC(=O)N2CCCC[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC000318715964 145369134 /nfs/dbraw/zinc/36/91/34/145369134.db2.gz RBXOLTUVOODGAM-GLQYFDAESA-N 0 3 303.362 2.399 20 5 DEBDHN CCNc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000321115429 145376482 /nfs/dbraw/zinc/37/64/82/145376482.db2.gz PFTOAXNUGMATKD-CYBMUJFWSA-N 0 3 320.393 2.193 20 5 DEBDHN CN(CCC(N)=O)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000348832345 146316799 /nfs/dbraw/zinc/31/67/99/146316799.db2.gz IFINGOFHZGOBDI-UHFFFAOYSA-N 0 3 303.318 2.162 20 5 DEBDHN Cc1cccnc1CNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000565534785 292168484 /nfs/dbraw/zinc/16/84/84/292168484.db2.gz IEXRECORXSLJHT-UHFFFAOYSA-N 0 3 314.345 2.417 20 5 DEBDHN O=[N+]([O-])c1ccccc1OCCN1CC[C@H]([C@@H]2CCOC2)C1 ZINC000374407846 148243594 /nfs/dbraw/zinc/24/35/94/148243594.db2.gz XLXTXXPUGKVCHD-UONOGXRCSA-N 0 3 306.362 2.332 20 5 DEBDHN CC[C@@H]1CCCCN1CCNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000113198669 401770037 /nfs/dbraw/zinc/77/00/37/401770037.db2.gz RDOYTPIFEBLZGJ-CYBMUJFWSA-N 0 3 320.393 2.293 20 5 DEBDHN CN(C[C@H]1CCCN(C)C1)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000115433188 401827417 /nfs/dbraw/zinc/82/74/17/401827417.db2.gz FIRCXFYAKXPAML-HBWSCVEGSA-N 0 3 317.389 2.408 20 5 DEBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)N(C)C1CC1 ZINC000078651004 401860381 /nfs/dbraw/zinc/86/03/81/401860381.db2.gz LQQGURBLZMXZPW-SECBINFHSA-N 0 3 311.769 2.461 20 5 DEBDHN C[C@H]1C[C@@H](Nc2nc3sccn3c2[N+](=O)[O-])CN1C1CC1 ZINC000133544726 401889948 /nfs/dbraw/zinc/88/99/48/401889948.db2.gz MPTLORWOWPMZDJ-DTWKUNHWSA-N 0 3 307.379 2.341 20 5 DEBDHN C[C@@H]1C[C@@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])CN1C1CC1 ZINC000134490083 401904332 /nfs/dbraw/zinc/90/43/32/401904332.db2.gz YVGRAVXEQPXPBB-MWLCHTKSSA-N 0 3 307.325 2.089 20 5 DEBDHN CCN(CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C1CC1 ZINC000134797496 401914845 /nfs/dbraw/zinc/91/48/45/401914845.db2.gz ALTHQHHTVRMXAH-UHFFFAOYSA-N 0 3 311.769 2.462 20 5 DEBDHN O=C(C1CC1)N1CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC000037563113 401915187 /nfs/dbraw/zinc/91/51/87/401915187.db2.gz DUOUSHCWTZBULD-UHFFFAOYSA-N 0 3 309.391 2.147 20 5 DEBDHN COc1ccc(OCCN2CCC[C@@H]([C@@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000089932059 401974281 /nfs/dbraw/zinc/97/42/81/401974281.db2.gz SEBIZOSXZULBGC-CHWSQXEVSA-N 0 3 324.377 2.075 20 5 DEBDHN CCOc1ccc([C@@H](C)NCC[C@H](O)COC)cc1[N+](=O)[O-] ZINC000090950716 401989577 /nfs/dbraw/zinc/98/95/77/401989577.db2.gz AYYRGOBDHJMZHS-YPMHNXCESA-N 0 3 312.366 2.042 20 5 DEBDHN CN(CCNC(=O)c1ccc([N+](=O)[O-])o1)Cc1ccccc1 ZINC000053349582 402054872 /nfs/dbraw/zinc/05/48/72/402054872.db2.gz KMJHSYLOHRRODP-UHFFFAOYSA-N 0 3 303.318 2.050 20 5 DEBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000055400537 402081341 /nfs/dbraw/zinc/08/13/41/402081341.db2.gz HGGMCJZNMJQKHS-QWHCGFSZSA-N 0 3 305.378 2.445 20 5 DEBDHN CCCN(CCN(C)C)C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000152669210 402103791 /nfs/dbraw/zinc/10/37/91/402103791.db2.gz RREZQZDDPDTOFW-UHFFFAOYSA-N 0 3 311.357 2.077 20 5 DEBDHN Cc1cc(C(=O)N(C)CC2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000103452672 402189006 /nfs/dbraw/zinc/18/90/06/402189006.db2.gz IQKSPAXXFPONGA-UHFFFAOYSA-N 0 3 305.378 2.317 20 5 DEBDHN CCN(CCNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000104409466 402203133 /nfs/dbraw/zinc/20/31/33/402203133.db2.gz CFAXNRKHVXTIJG-XBXARRHUSA-N 0 3 321.352 2.348 20 5 DEBDHN CCN(CCn1ccc([N+](=O)[O-])n1)Cc1ccc(OC)cc1 ZINC000176211516 402290628 /nfs/dbraw/zinc/29/06/28/402290628.db2.gz IPYONHZQWNGRLJ-UHFFFAOYSA-N 0 3 304.350 2.322 20 5 DEBDHN C[C@H]1C[C@@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])CN1C1CC1 ZINC000177084030 402367971 /nfs/dbraw/zinc/36/79/71/402367971.db2.gz JLZYTVQLPTXCCS-GXSJLCMTSA-N 0 3 307.325 2.089 20 5 DEBDHN C[C@@H]1C[C@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])CN1C1CC1 ZINC000177083988 402368021 /nfs/dbraw/zinc/36/80/21/402368021.db2.gz JLZYTVQLPTXCCS-KOLCDFICSA-N 0 3 307.325 2.089 20 5 DEBDHN CCOC(=O)N1CC[C@H](NCc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000185770060 402375373 /nfs/dbraw/zinc/37/53/73/402375373.db2.gz OTHOVEQOODUOOL-ZDUSSCGKSA-N 0 3 307.350 2.224 20 5 DEBDHN CN(Cc1ccc(Cl)c([N+](=O)[O-])c1)CC1(O)CCOCC1 ZINC000161490506 402389072 /nfs/dbraw/zinc/38/90/72/402389072.db2.gz VYECXIRUPJATDV-UHFFFAOYSA-N 0 3 314.769 2.222 20 5 DEBDHN C[C@H](CNc1c(Br)cncc1[N+](=O)[O-])N(C)C ZINC000227537231 402332275 /nfs/dbraw/zinc/33/22/75/402332275.db2.gz TUZSKNPKMBIQDG-SSDOTTSWSA-N 0 3 303.160 2.114 20 5 DEBDHN COCCN1CCC(Nc2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000185245499 402337814 /nfs/dbraw/zinc/33/78/14/402337814.db2.gz DMTFNFMYSGUANT-UHFFFAOYSA-N 0 3 309.366 2.126 20 5 DEBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000247213082 402560018 /nfs/dbraw/zinc/56/00/18/402560018.db2.gz CHLLDXLYBTZEPM-WHHBIATBSA-N 0 3 317.389 2.407 20 5 DEBDHN C[C@@H](NCCN1CCOCC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000178600862 402516162 /nfs/dbraw/zinc/51/61/62/402516162.db2.gz COFLYIZNOKISIF-CYBMUJFWSA-N 0 3 307.394 2.356 20 5 DEBDHN C[C@@H](C(=O)NCc1cccc([N+](=O)[O-])c1)N1[C@H](C)CC[C@H]1C ZINC000171281252 402573939 /nfs/dbraw/zinc/57/39/39/402573939.db2.gz KBVCZIRUYXJREC-UPJWGTAASA-N 0 3 305.378 2.472 20 5 DEBDHN CC[C@H]1CCCCN1CCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180778985 402626013 /nfs/dbraw/zinc/62/60/13/402626013.db2.gz WBEHMQIRXSZLPC-LBPRGKRZSA-N 0 3 320.393 2.171 20 5 DEBDHN CN1CCC[C@H](CNC(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000254967897 402673574 /nfs/dbraw/zinc/67/35/74/402673574.db2.gz CESCYOOMGOAEKW-LJTDUEICSA-N 0 3 303.362 2.066 20 5 DEBDHN COCC[C@](C)(O)CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192871931 402754284 /nfs/dbraw/zinc/75/42/84/402754284.db2.gz AAXBNCYUGRKPEX-CVEARBPZSA-N 0 3 308.378 2.349 20 5 DEBDHN O=[N+]([O-])c1cnn(CCNCc2cnc(-c3ccco3)s2)c1 ZINC000193156721 402767677 /nfs/dbraw/zinc/76/76/77/402767677.db2.gz NWHKQUXUMWEESQ-UHFFFAOYSA-N 0 3 319.346 2.298 20 5 DEBDHN CSC[C@](C)(O)CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000183802751 402798580 /nfs/dbraw/zinc/79/85/80/402798580.db2.gz NRROBLFXXDFPGB-GFCCVEGCSA-N 0 3 304.799 2.452 20 5 DEBDHN C[C@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC12CCC2 ZINC000271399683 402866747 /nfs/dbraw/zinc/86/67/47/402866747.db2.gz WSSBNPNSXSMHHR-ZDUSSCGKSA-N 0 3 305.378 2.269 20 5 DEBDHN O=[N+]([O-])c1ccc(OCCN2CC[C@H](n3cccn3)C2)cc1 ZINC000291724319 404493397 /nfs/dbraw/zinc/49/33/97/404493397.db2.gz JFDSNMVFSFTVTR-AWEZNQCLSA-N 0 3 302.334 2.117 20 5 DEBDHN CN1CC[C@H]2CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)[C@@H]2C1 ZINC000278559135 402868242 /nfs/dbraw/zinc/86/82/42/402868242.db2.gz WKZJQDILQGWFAA-IINYFYTJSA-N 0 3 301.350 2.002 20 5 DEBDHN C[C@@H]1CN(C2CCOCC2)CCN1c1ccc([N+](=O)[O-])cc1 ZINC000278823141 402875272 /nfs/dbraw/zinc/87/52/72/402875272.db2.gz PRKQXAWDBFDYJJ-CYBMUJFWSA-N 0 3 305.378 2.284 20 5 DEBDHN CCC(C)(C)N(C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000265181480 402898757 /nfs/dbraw/zinc/89/87/57/402898757.db2.gz GPVMBWYEDSSLSK-UHFFFAOYSA-N 0 3 323.349 2.382 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(N2CCN(CC(C)(C)O)C[C@@H]2C)c1 ZINC000275845861 403127761 /nfs/dbraw/zinc/12/77/61/403127761.db2.gz QUDMVYVYRSHEFR-ZDUSSCGKSA-N 0 3 307.394 2.185 20 5 DEBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@@H](c3ncc[nH]3)C2)c1 ZINC000269663567 403155226 /nfs/dbraw/zinc/15/52/26/403155226.db2.gz REPSGDNTDXPBOE-HIFRSBDPSA-N 0 3 316.361 2.231 20 5 DEBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C)C[C@@H]1N(C)C ZINC000270508480 403197214 /nfs/dbraw/zinc/19/72/14/403197214.db2.gz QRBYQMMNMCLDCS-UONOGXRCSA-N 0 3 323.418 2.021 20 5 DEBDHN C[C@H]1[C@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CCCN1C ZINC000345332621 403290043 /nfs/dbraw/zinc/29/00/43/403290043.db2.gz YUJJKZHSXSTCTM-IINYFYTJSA-N 0 3 316.361 2.289 20 5 DEBDHN CC(C)[C@@H](NCCc1ccc([N+](=O)[O-])cc1)c1nncn1C ZINC000285525243 403319214 /nfs/dbraw/zinc/31/92/14/403319214.db2.gz ZNZBAQLTXSZPIJ-CQSZACIVSA-N 0 3 303.366 2.253 20 5 DEBDHN CSc1cccc(C(=O)N(C)C[C@@H]2CCN(C)C2)c1[N+](=O)[O-] ZINC000331156614 403342062 /nfs/dbraw/zinc/34/20/62/403342062.db2.gz VTGWKBYWTZXNEZ-LLVKDONJSA-N 0 3 323.418 2.340 20 5 DEBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000285741768 403370064 /nfs/dbraw/zinc/37/00/64/403370064.db2.gz JLELECHNJLEVHF-SWLSCSKDSA-N 0 3 303.362 2.294 20 5 DEBDHN CN1CCC[C@]2(CCN(c3nc4sccn4c3[N+](=O)[O-])C2)C1 ZINC000292683309 403374557 /nfs/dbraw/zinc/37/45/57/403374557.db2.gz DTIMGDCDEFKIAK-AWEZNQCLSA-N 0 3 321.406 2.226 20 5 DEBDHN C[C@@H]1C[C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCN1C ZINC000342934997 403402537 /nfs/dbraw/zinc/40/25/37/403402537.db2.gz QFOZEVVXEFGRLF-MNOVXSKESA-N 0 3 316.361 2.289 20 5 DEBDHN CN(C[C@H]1CCCN1C)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000331687221 403451999 /nfs/dbraw/zinc/45/19/99/403451999.db2.gz VRSJCSVAIDCVKA-LLVKDONJSA-N 0 3 316.361 2.242 20 5 DEBDHN CC[C@@H](NC(=O)[C@@H](N)CC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000345752881 403468810 /nfs/dbraw/zinc/46/88/10/403468810.db2.gz UBQYWORITKAJFX-WDEREUQCSA-N 0 3 301.293 2.145 20 5 DEBDHN CN(C)CCN1CCC(Nc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000286221714 403474914 /nfs/dbraw/zinc/47/49/14/403474914.db2.gz STZYAENZGRUHJG-UHFFFAOYSA-N 0 3 310.373 2.172 20 5 DEBDHN C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])[n-]1)c1ccsc1 ZINC000298883014 403479770 /nfs/dbraw/zinc/47/97/70/403479770.db2.gz LAHYKBRLZPKJTR-LLVKDONJSA-N 0 3 308.363 2.017 20 5 DEBDHN CN1CC[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000293996116 403619798 /nfs/dbraw/zinc/61/97/98/403619798.db2.gz WVMPKMPXKJQZFS-OAHLLOKOSA-N 0 3 323.780 2.416 20 5 DEBDHN CC1(C)C[C@H](NC[C@H]2CC[C@@H](CO)O2)c2cc([N+](=O)[O-])ccc21 ZINC000293988312 403617267 /nfs/dbraw/zinc/61/72/67/403617267.db2.gz BVTQHAVQDDADBY-WWGRRREGSA-N 0 3 320.389 2.447 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)C(C)(C)n1cncn1 ZINC000340519364 403634859 /nfs/dbraw/zinc/63/48/59/403634859.db2.gz YRPISDONFSKHCN-LLVKDONJSA-N 0 3 319.365 2.108 20 5 DEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)CCNC(=O)N(C)C ZINC000347378630 403686701 /nfs/dbraw/zinc/68/67/01/403686701.db2.gz PUKYNPWFYIYBRH-RAXLEYEMSA-N 0 3 320.393 2.201 20 5 DEBDHN CN1CCC[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])s3)C2)C1 ZINC000294104703 403648834 /nfs/dbraw/zinc/64/88/34/403648834.db2.gz KVXHMTAYHRNXEI-CQSZACIVSA-N 0 3 309.391 2.214 20 5 DEBDHN CCOC1CC(N(C)CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000347447355 403712774 /nfs/dbraw/zinc/71/27/74/403712774.db2.gz IPFBDUFKNBWBSN-UHFFFAOYSA-N 0 3 324.377 2.482 20 5 DEBDHN Cc1cc(C(=O)N2CCN(C3CC3)C[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000295299089 403840095 /nfs/dbraw/zinc/84/00/95/403840095.db2.gz JFAODZVZRQSRLH-ZDUSSCGKSA-N 0 3 317.389 2.460 20 5 DEBDHN O=[N+]([O-])c1cc(CNC2CCN(c3cccnn3)CC2)cs1 ZINC000368979203 403927312 /nfs/dbraw/zinc/92/73/12/403927312.db2.gz YSZMQOXZZRNQSW-UHFFFAOYSA-N 0 3 319.390 2.205 20 5 DEBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@]2(CNC(=O)C2)C1 ZINC000362407026 403953662 /nfs/dbraw/zinc/95/36/62/403953662.db2.gz YSPHWMABEWQLIO-LRDDRELGSA-N 0 3 303.362 2.258 20 5 DEBDHN Cc1nc(N2CCN(CC3CCCCC3)CC2)ncc1[N+](=O)[O-] ZINC000295518529 403969143 /nfs/dbraw/zinc/96/91/43/403969143.db2.gz MBYJTVBURGFWPU-UHFFFAOYSA-N 0 3 319.409 2.396 20 5 DEBDHN COC(=O)[C@]1(C)CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000412110598 404140963 /nfs/dbraw/zinc/14/09/63/404140963.db2.gz VARSLJPXLWAGIR-MRXNPFEDSA-N 0 3 322.361 2.249 20 5 DEBDHN C[C@@H](NC(=O)N1CCN(C)CC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000341912015 404250660 /nfs/dbraw/zinc/25/06/60/404250660.db2.gz AGSPSAIRHIZIBI-CHWSQXEVSA-N 0 3 320.393 2.391 20 5 DEBDHN CC[C@H](C)N(C)CCNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000290718151 404283499 /nfs/dbraw/zinc/28/34/99/404283499.db2.gz YJXYTQUBZNDIGB-JTQLQIEISA-N 0 3 319.365 2.386 20 5 DEBDHN C[C@@H](NC(=O)N1CCN(C)CC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000355425352 404334703 /nfs/dbraw/zinc/33/47/03/404334703.db2.gz SXYLXGXBMZHDMN-QWHCGFSZSA-N 0 3 320.393 2.391 20 5 DEBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@H]1CCCN(C)C1=O ZINC000344742837 404343434 /nfs/dbraw/zinc/34/34/34/404343434.db2.gz UXLAFEKQXNDINV-JSGCOSHPSA-N 0 3 305.378 2.126 20 5 DEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCCNc1cnccn1 ZINC000345043835 404513703 /nfs/dbraw/zinc/51/37/03/404513703.db2.gz KFLYNVFNUYNMDA-UKTHLTGXSA-N 0 3 313.361 2.490 20 5 DEBDHN COc1cc(C[NH2+]C[C@@H]2CCC[C@@H](CO)C2)c([N+](=O)[O-])cc1[O-] ZINC000342246331 404465130 /nfs/dbraw/zinc/46/51/30/404465130.db2.gz MEDQQHVHVHFOPG-VXGBXAGGSA-N 0 3 324.377 2.197 20 5 DEBDHN C[C@H](NC(=O)N1CCC[C@@H](N(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000297678720 404588023 /nfs/dbraw/zinc/58/80/23/404588023.db2.gz POMFRNHGAFNVEG-SWLSCSKDSA-N 0 3 320.393 2.391 20 5 DEBDHN CCC[N@@H+]1CCC[C@@H]1CNCc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000353134075 404750907 /nfs/dbraw/zinc/75/09/07/404750907.db2.gz GHLPABILMLBPER-CYBMUJFWSA-N 0 3 323.393 2.273 20 5 DEBDHN CCC[N@H+]1CCC[C@@H]1CNCc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000353134075 404750909 /nfs/dbraw/zinc/75/09/09/404750909.db2.gz GHLPABILMLBPER-CYBMUJFWSA-N 0 3 323.393 2.273 20 5 DEBDHN CN(C)[C@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@@H]1O ZINC000359953224 404810782 /nfs/dbraw/zinc/81/07/82/404810782.db2.gz AFHKNKGJRFYCJE-QWRGUYRKSA-N 0 3 320.176 2.013 20 5 DEBDHN CCc1nn(C)c(N[C@H](C)CN2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000360959759 404862503 /nfs/dbraw/zinc/86/25/03/404862503.db2.gz HWDVGMCGYJPXPC-VXGBXAGGSA-N 0 3 309.414 2.423 20 5 DEBDHN O=[N+]([O-])c1ccc(CN2CCC(c3nc[nH]n3)CC2)cc1F ZINC000367291688 404998783 /nfs/dbraw/zinc/99/87/83/404998783.db2.gz OVLSZVITVVNYRO-UHFFFAOYSA-N 0 3 305.313 2.232 20 5 DEBDHN CN(C)CCc1ccccc1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000354178850 405083908 /nfs/dbraw/zinc/08/39/08/405083908.db2.gz ACLCHBKYEMLHAH-UHFFFAOYSA-N 0 3 302.334 2.279 20 5 DEBDHN C[C@@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])N1CCCC[C@@H]1C ZINC000354401881 405195465 /nfs/dbraw/zinc/19/54/65/405195465.db2.gz XPRVUSDXXKKCSO-RYUDHWBXSA-N 0 3 320.393 2.170 20 5 DEBDHN Cc1cc(NC[C@H]2CNCCO2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420273235 405304550 /nfs/dbraw/zinc/30/45/50/405304550.db2.gz DFBMKLMHYWWSJT-SECBINFHSA-N 0 3 319.283 2.322 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1CCOC[C@H]1OC ZINC000449458603 405570967 /nfs/dbraw/zinc/57/09/67/405570967.db2.gz PFVIOCUGJJRJBQ-MLGOLLRUSA-N 0 3 324.377 2.135 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000421764993 405635592 /nfs/dbraw/zinc/63/55/92/405635592.db2.gz XOODYROKFMSRFC-GFCCVEGCSA-N 0 3 305.378 2.424 20 5 DEBDHN C[C@@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)N(C)C ZINC000459041507 405709777 /nfs/dbraw/zinc/70/97/77/405709777.db2.gz NSFFXHZXBSUCSL-NSHDSACASA-N 0 3 308.382 2.079 20 5 DEBDHN CN(C)[C@H]1CCCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000486970178 406195114 /nfs/dbraw/zinc/19/51/14/406195114.db2.gz ROLUEUVKNZFOAW-ZDUSSCGKSA-N 0 3 317.349 2.175 20 5 DEBDHN C[C@H](C(=O)N(C)CCN1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000520917572 406322361 /nfs/dbraw/zinc/32/23/61/406322361.db2.gz ABTXYUUDKGVDNY-ZDUSSCGKSA-N 0 3 305.378 2.253 20 5 DEBDHN COCCN(CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCO[C@H]1C ZINC000489490031 406411784 /nfs/dbraw/zinc/41/17/84/406411784.db2.gz APXNHHNPENKARK-UONOGXRCSA-N 0 3 324.377 2.099 20 5 DEBDHN CNC(=O)[C@@H]1CCC[C@H]1N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000570582242 406413334 /nfs/dbraw/zinc/41/33/34/406413334.db2.gz ZYRYFILLCXLCSZ-MGPQQGTHSA-N 0 3 303.362 2.086 20 5 DEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@@H]2C[C@H]2c2ccco2)c1 ZINC000571551581 406536306 /nfs/dbraw/zinc/53/63/06/406536306.db2.gz FDBPPDSDZSVZKT-NWANDNLSSA-N 0 3 318.329 2.073 20 5 DEBDHN CN(CCN1CCCC1)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000491448201 406595210 /nfs/dbraw/zinc/59/52/10/406595210.db2.gz IECMDKLQAFJBKP-CMDGGOBGSA-N 0 3 303.362 2.162 20 5 DEBDHN Cn1cc2c(n1)CCC[C@H]2NCCOc1ccc([N+](=O)[O-])cc1 ZINC000527066450 406579009 /nfs/dbraw/zinc/57/90/09/406579009.db2.gz XIPVKMNRDTXJLO-OAHLLOKOSA-N 0 3 316.361 2.374 20 5 DEBDHN CN(C)C/C=C\C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000491880436 406761111 /nfs/dbraw/zinc/76/11/11/406761111.db2.gz CSJNUBJTJWBQPC-PLNGDYQASA-N 0 3 311.769 2.324 20 5 DEBDHN CN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)[C@H]1CCN(C2CC2)C1 ZINC000491794075 406723808 /nfs/dbraw/zinc/72/38/08/406723808.db2.gz JFEHZRSYKNWFRP-WHWKNOJMSA-N 0 3 315.373 2.303 20 5 DEBDHN CSc1cccc(C(=O)N2CCC[C@@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000188120782 286729998 /nfs/dbraw/zinc/72/99/98/286729998.db2.gz HLSUVEIEMHPAKF-LLVKDONJSA-N 0 3 323.418 2.483 20 5 DEBDHN C[C@@H]1CCN(CCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000491940679 406784759 /nfs/dbraw/zinc/78/47/59/406784759.db2.gz RBSPHOIRKZWNNK-WXJAXGNASA-N 0 3 303.362 2.066 20 5 DEBDHN C[C@H](CNC[C@H](O)COc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000569716539 292437625 /nfs/dbraw/zinc/43/76/25/292437625.db2.gz OYJAWVPWUNLXAF-ZJUUUORDSA-N 0 3 322.283 2.123 20 5 DEBDHN C[C@H]1C[C@H](Nc2nc3sccn3c2[N+](=O)[O-])CN1C1CC1 ZINC000133544307 196331540 /nfs/dbraw/zinc/33/15/40/196331540.db2.gz MPTLORWOWPMZDJ-IUCAKERBSA-N 0 3 307.379 2.341 20 5 DEBDHN CN(C)CCN(Cc1ccsc1)c1ncc([N+](=O)[O-])cn1 ZINC000413439102 228323916 /nfs/dbraw/zinc/32/39/16/228323916.db2.gz APYRLMZDKCAQCV-UHFFFAOYSA-N 0 3 307.379 2.015 20 5 DEBDHN CCS(=O)(=O)CCCNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000414547563 228500494 /nfs/dbraw/zinc/50/04/94/228500494.db2.gz VSOOFLKBHRFYBH-YVMONPNESA-N 0 3 312.391 2.022 20 5 DEBDHN O=C(C1CCN(C2CC2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000195321630 424882676 /nfs/dbraw/zinc/88/26/76/424882676.db2.gz CXODIFZFHUUQKP-UHFFFAOYSA-N 0 3 315.373 2.358 20 5 DEBDHN C[C@@H]1C[C@@H](Nc2nc3ccccc3cc2[N+](=O)[O-])CCN1C ZINC000352358987 425045678 /nfs/dbraw/zinc/04/56/78/425045678.db2.gz AQMZDQXKRRYVNM-YPMHNXCESA-N 0 3 300.362 3.038 20 5 DEBDHN CC1(C)C[C@H](NC[C@@H]2COCCO2)c2cc([N+](=O)[O-])ccc21 ZINC000433170592 275868117 /nfs/dbraw/zinc/86/81/17/275868117.db2.gz XYVYAGJWBOJEKT-DOMZBBRYSA-N 0 3 306.362 2.322 20 5 DEBDHN COC[C@H](O)CCN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279113739 277601418 /nfs/dbraw/zinc/60/14/18/277601418.db2.gz PKJCLOUQNBTUFO-DOMZBBRYSA-N 0 3 308.378 2.304 20 5 DEBDHN CS[C@H]1CN(c2cc(N)ccc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000282132083 278167676 /nfs/dbraw/zinc/16/76/76/278167676.db2.gz CQECIMLAGRQBNK-CABCVRRESA-N 0 3 322.434 2.193 20 5 DEBDHN Cc1ccc([C@@H](C)N[C@@H](C)CN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000154980140 280941086 /nfs/dbraw/zinc/94/10/86/280941086.db2.gz LHVMMDJHYKLYMH-LSDHHAIUSA-N 0 3 320.437 2.190 20 5 DEBDHN CN(C)CCN(C(=O)c1ccc([N+](=O)[O-])n1C)C1CCCCC1 ZINC000344197946 289124732 /nfs/dbraw/zinc/12/47/32/289124732.db2.gz XWDHPNWZKQQSMD-UHFFFAOYSA-N 0 3 322.409 2.270 20 5 DEBDHN C[C@H](C(=O)N(CCN(C)C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000573234609 326036306 /nfs/dbraw/zinc/03/63/06/326036306.db2.gz TZUWTTXXYMXAAW-LBPRGKRZSA-N 0 3 305.378 2.251 20 5 DEBDHN CCc1[nH]nc(C(=O)Nc2ccccc2CN(C)C)c1[N+](=O)[O-] ZINC000575466528 326239928 /nfs/dbraw/zinc/23/99/28/326239928.db2.gz SHIBMOOULSWVKG-UHFFFAOYSA-N 0 3 317.349 2.194 20 5 DEBDHN CCc1[n-]nc(C(=O)Nc2ccccc2C[NH+](C)C)c1[N+](=O)[O-] ZINC000575466528 326239929 /nfs/dbraw/zinc/23/99/29/326239929.db2.gz SHIBMOOULSWVKG-UHFFFAOYSA-N 0 3 317.349 2.194 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1CCCN(CCCO)C1 ZINC000577262584 326352951 /nfs/dbraw/zinc/35/29/51/326352951.db2.gz OATBQYQIFIZCGM-HUUCEWRRSA-N 0 3 321.421 2.401 20 5 DEBDHN CCC(CC)(CCO)NCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000338370551 521419071 /nfs/dbraw/zinc/41/90/71/521419071.db2.gz WEZWZKPWQDYYJI-UHFFFAOYSA-N 0 3 323.393 2.373 20 5 DEBDHN CC(C)(CNCc1csc([N+](=O)[O-])c1)C1(O)CCOCC1 ZINC000418137730 527173002 /nfs/dbraw/zinc/17/30/02/527173002.db2.gz UBRQUKUCDYHXSO-UHFFFAOYSA-N 0 3 314.407 2.314 20 5 DEBDHN CCCN(CCN1CCCCC1)c1ncc([N+](=O)[O-])c(C)n1 ZINC000295702626 528082349 /nfs/dbraw/zinc/08/23/49/528082349.db2.gz QFYDXUSGIQTFJW-UHFFFAOYSA-N 0 3 307.398 2.396 20 5 DEBDHN CCNC(=O)[C@@H](N[C@H](C)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000449337923 535391804 /nfs/dbraw/zinc/39/18/04/535391804.db2.gz DINXXOZTIVITEC-DOMZBBRYSA-N 0 3 307.394 2.276 20 5 DEBDHN CCN1CCN(CC(C)(C)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000450921067 535673745 /nfs/dbraw/zinc/67/37/45/535673745.db2.gz DJEYYTAMLVRAEB-UHFFFAOYSA-N 0 3 306.410 2.423 20 5 DEBDHN CN1CCC2(CCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000371310098 536348368 /nfs/dbraw/zinc/34/83/68/536348368.db2.gz GJOJZOJPDKVCPM-UHFFFAOYSA-N 0 3 317.389 2.224 20 5 DEBDHN CN1CC[C@@H]2CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000374873186 536462862 /nfs/dbraw/zinc/46/28/62/536462862.db2.gz GYKGNHYTSIHZBY-QMTHXVAHSA-N 0 3 323.780 2.414 20 5 DEBDHN CO[C@@H]1CCC[C@H]1N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000451632269 536648102 /nfs/dbraw/zinc/64/81/02/536648102.db2.gz NSDRAVIEOBTKBL-ZLKJLUDKSA-N 0 3 307.350 2.079 20 5 DEBDHN C[C@H](N[C@@H](C)[C@H]1CCS(=O)(=O)C1)c1ccccc1[N+](=O)[O-] ZINC000893280077 625375186 /nfs/dbraw/zinc/37/51/86/625375186.db2.gz UEOBEKWPBLTVJI-SRVKXCTJSA-N 0 3 312.391 2.069 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@]1(C)CN2CCC1CC2 ZINC000892786783 625603759 /nfs/dbraw/zinc/60/37/59/625603759.db2.gz WMLZRMFDZXTVGL-INIZCTEOSA-N 0 3 303.362 2.117 20 5 DEBDHN CC(COC(=O)c1cccc(OCC(F)(F)F)c1)[N+](=O)[O-] ZINC000813114359 623400777 /nfs/dbraw/zinc/40/07/77/623400777.db2.gz QNBDLGXCJWFZPW-QMMMGPOBSA-N 0 3 307.224 2.450 20 5 DEBDHN Cn1ncc([N+](=O)[O-])c1N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000891778746 624596803 /nfs/dbraw/zinc/59/68/03/624596803.db2.gz BEROGPUPZSEGFN-AWEZNQCLSA-N 0 3 315.377 2.405 20 5 DEBDHN C[C@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cncs1 ZINC000934194174 624777788 /nfs/dbraw/zinc/77/77/88/624777788.db2.gz AKELYJSNAQHNMK-WDEREUQCSA-N 0 3 323.374 2.142 20 5 DEBDHN C[C@H](NC(=O)N(C)[C@@H]1CCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000892113117 624785221 /nfs/dbraw/zinc/78/52/21/624785221.db2.gz WKNVDKROMGIKIX-SWLSCSKDSA-N 0 3 320.393 2.391 20 5 DEBDHN COc1c([O-])ccc(C[NH2+][C@@H](C)C2CCOCC2)c1[N+](=O)[O-] ZINC000893119572 625124705 /nfs/dbraw/zinc/12/47/05/625124705.db2.gz ANKAHWVPJAQGFG-JTQLQIEISA-N 0 3 310.350 2.214 20 5 DEBDHN COc1nccc(CNCCc2ccc([N+](=O)[O-])cc2)c1F ZINC000892936925 625735839 /nfs/dbraw/zinc/73/58/39/625735839.db2.gz LUVXPHLNYZASQL-UHFFFAOYSA-N 0 3 305.309 2.470 20 5 DEBDHN Cc1ccc2nc([C@H]3CCCN3C(=O)[C@@H]3CC3[N+](=O)[O-])[nH]c2c1 ZINC000106866218 635429233 /nfs/dbraw/zinc/42/92/33/635429233.db2.gz FHJKZSDASAMDPP-LERXQTSPSA-N 0 3 314.345 2.200 20 5 DEBDHN CN1C[C@H](CCNCc2ccc([N+](=O)[O-])cc2Cl)CC1=O ZINC000922486059 636197669 /nfs/dbraw/zinc/19/76/69/636197669.db2.gz FXLFXRFWIKSNTB-SNVBAGLBSA-N 0 3 311.769 2.206 20 5 DEBDHN COc1c(O)ccc(CN[C@H]2C[C@@H](OC(C)C)C2)c1[N+](=O)[O-] ZINC000894845626 637251067 /nfs/dbraw/zinc/25/10/67/637251067.db2.gz GTTYOQFOCCERTJ-TXEJJXNPSA-N 0 3 310.350 2.355 20 5 DEBDHN C[C@H](NC(=S)NC1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000840764692 650356218 /nfs/dbraw/zinc/35/62/18/650356218.db2.gz YBIJKJHNWNEMPE-NSHDSACASA-N 0 3 322.434 2.214 20 5 DEBDHN COc1c([O-])ccc(CN(C)CC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000895186775 637768636 /nfs/dbraw/zinc/76/86/36/637768636.db2.gz BYSKUTADXRYKDN-UHFFFAOYSA-N 0 3 323.393 2.227 20 5 DEBDHN COc1cc(CNC[C@H]2CC[C@H](C3CC3)O2)c([N+](=O)[O-])cc1O ZINC000897511326 640521033 /nfs/dbraw/zinc/52/10/33/640521033.db2.gz KDTVFHRSBFYKOC-IUODEOHRSA-N 0 3 322.361 2.356 20 5 DEBDHN Cn1ncc2c1CCC[C@H]2NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765847381 640823478 /nfs/dbraw/zinc/82/34/78/640823478.db2.gz BLPFTSGNUGQNPP-ZBFHGGJFSA-N 0 3 316.361 2.029 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H](O)c1cnn(C)c1 ZINC000766183517 640855821 /nfs/dbraw/zinc/85/58/21/640855821.db2.gz KOUKPHZFXWTMTC-ABAIWWIYSA-N 0 3 304.350 2.021 20 5 DEBDHN Cn1cc([C@@]2(CNCc3ccc([N+](=O)[O-])cc3)CCCO2)cn1 ZINC000898061059 641013142 /nfs/dbraw/zinc/01/31/42/641013142.db2.gz LDYHZOCUGFEQIM-INIZCTEOSA-N 0 3 316.361 2.124 20 5 DEBDHN CC(C)c1n[nH]c(C(=O)NC[C@@H](C)N2CCCCC2)c1[N+](=O)[O-] ZINC000771295293 641490454 /nfs/dbraw/zinc/49/04/54/641490454.db2.gz XRMZIQQXKCSAIB-LLVKDONJSA-N 0 3 323.397 2.046 20 5 DEBDHN Cc1nn(-c2cccc(F)c2)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000842364003 650718349 /nfs/dbraw/zinc/71/83/49/650718349.db2.gz RBUMQQAAZARTMT-VIFPVBQESA-N 0 3 307.281 2.142 20 5 DEBDHN CC(C)NCc1cc(-c2cc3c(cc2[N+](=O)[O-])OCO3)no1 ZINC000901397662 642649108 /nfs/dbraw/zinc/64/91/08/642649108.db2.gz CGXHAPJELULQGN-UHFFFAOYSA-N 0 3 305.290 2.477 20 5 DEBDHN COc1cc([C@@H](C)NCCO[C@H]2CCOC2)cc([N+](=O)[O-])c1 ZINC000903225636 643288439 /nfs/dbraw/zinc/28/84/39/643288439.db2.gz HUWIHJUSYJGSIS-RISCZKNCSA-N 0 3 310.350 2.060 20 5 DEBDHN O=[N+]([O-])CCN[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000905117754 643795095 /nfs/dbraw/zinc/79/50/95/643795095.db2.gz RHILJTCFYSLBMR-ZDUSSCGKSA-N 0 3 317.311 2.146 20 5 DEBDHN Cc1c(-c2noc(C[C@@H]3CSCCN3)n2)cccc1[N+](=O)[O-] ZINC000843238588 650936462 /nfs/dbraw/zinc/93/64/62/650936462.db2.gz VZZSXOYQVQZWLN-SNVBAGLBSA-N 0 3 320.374 2.201 20 5 DEBDHN CCN1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2OC)[C@H](C)C1 ZINC000910281395 645387288 /nfs/dbraw/zinc/38/72/88/645387288.db2.gz XTXICOADJNVXJG-GFCCVEGCSA-N 0 3 321.377 2.160 20 5 DEBDHN CCN1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000910285638 645389138 /nfs/dbraw/zinc/38/91/38/645389138.db2.gz UFZGFDCHAFWYML-LLVKDONJSA-N 0 3 309.341 2.290 20 5 DEBDHN CCN1CCCN(C(=O)c2cccc(C)c2[N+](=O)[O-])[C@H](C)C1 ZINC000910296040 645408084 /nfs/dbraw/zinc/40/80/84/645408084.db2.gz ZDXHWNHAUIOFDB-CYBMUJFWSA-N 0 3 305.378 2.460 20 5 DEBDHN CCN1CCC[C@H]1CNC(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC000843756355 651025482 /nfs/dbraw/zinc/02/54/82/651025482.db2.gz XIIRTJOGARDWKW-NSHDSACASA-N 0 3 309.341 2.256 20 5 DEBDHN CC(C)(CCc1noc(C2CCN(C3CC3)CC2)n1)[N+](=O)[O-] ZINC000812811752 646701355 /nfs/dbraw/zinc/70/13/55/646701355.db2.gz IGCGXZWZXUWKSM-UHFFFAOYSA-N 0 3 308.382 2.399 20 5 DEBDHN COc1ccc2nc(C)c(C(=O)OCC(C)[N+](=O)[O-])cc2c1 ZINC000813099889 646727994 /nfs/dbraw/zinc/72/79/94/646727994.db2.gz GFTGKFOHBKBURD-SECBINFHSA-N 0 3 304.302 2.374 20 5 DEBDHN CC(C)CC(=O)N[C@@H](C(=O)OCC(C)[N+](=O)[O-])c1ccccc1 ZINC000813101975 646728383 /nfs/dbraw/zinc/72/83/83/646728383.db2.gz MHCFTXUFXUPSCG-IUODEOHRSA-N 0 3 322.361 2.098 20 5 DEBDHN CC(COC(=O)c1cccc(NC(=O)c2ccco2)c1)[N+](=O)[O-] ZINC000813104536 646729609 /nfs/dbraw/zinc/72/96/09/646729609.db2.gz OEFZTPIVLGNSOL-SNVBAGLBSA-N 0 3 318.285 2.354 20 5 DEBDHN CC(COC(=O)[C@H]1CCN(c2ccccc2Cl)C1)[N+](=O)[O-] ZINC000813106404 646729652 /nfs/dbraw/zinc/72/96/52/646729652.db2.gz CNEKLHRUILQTKT-MNOVXSKESA-N 0 3 312.753 2.375 20 5 DEBDHN CC(COC(=O)CC1(NC(=O)OC(C)(C)C)CCC1)[N+](=O)[O-] ZINC000813106714 646729753 /nfs/dbraw/zinc/72/97/53/646729753.db2.gz GTOXCDYAPMQLFY-JTQLQIEISA-N 0 3 316.354 2.032 20 5 DEBDHN CCc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1-c1ccc(F)cc1 ZINC000813110344 646730624 /nfs/dbraw/zinc/73/06/24/646730624.db2.gz YHBNTTTZTCHFQT-SNVBAGLBSA-N 0 3 321.308 2.396 20 5 DEBDHN COc1cc(C(=O)OCC(C)[N+](=O)[O-])sc1Br ZINC000813114075 646732503 /nfs/dbraw/zinc/73/25/03/646732503.db2.gz LUHLHIQRODMSPI-YFKPBYRVSA-N 0 3 324.152 2.341 20 5 DEBDHN CC(COC(=O)CCc1ncc(-c2ccccc2)o1)[N+](=O)[O-] ZINC000813114825 646733284 /nfs/dbraw/zinc/73/32/84/646733284.db2.gz WTPVVYMWNLTNFR-NSHDSACASA-N 0 3 304.302 2.483 20 5 DEBDHN Cc1cc(C)n(Cc2cccc(C(=O)OCC(C)[N+](=O)[O-])c2)n1 ZINC000813115436 646734082 /nfs/dbraw/zinc/73/40/82/646734082.db2.gz RZAFFIUKWFTNKX-ZDUSSCGKSA-N 0 3 317.345 2.370 20 5 DEBDHN C[C@@H]1CCCCN1CCNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000822104476 648157680 /nfs/dbraw/zinc/15/76/80/648157680.db2.gz YZEANJGGCYWQDS-LLVKDONJSA-N 0 3 309.341 2.338 20 5 DEBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(C)[C@H]1C ZINC000830110276 649395220 /nfs/dbraw/zinc/39/52/20/649395220.db2.gz COMRLBCWIZYEJD-CABZTGNLSA-N 0 3 309.391 2.139 20 5 DEBDHN O=[N+]([O-])c1ccc(CN2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)cc1F ZINC000830823135 649500977 /nfs/dbraw/zinc/50/09/77/649500977.db2.gz MKLXJUHNLUEPQS-IOASZLSFSA-N 0 3 324.352 2.096 20 5 DEBDHN Cc1nn(C)cc1C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845874387 651291067 /nfs/dbraw/zinc/29/10/67/651291067.db2.gz ICGCDPPKBKPYKH-HZMBPMFUSA-N 0 3 321.308 2.431 20 5 DEBDHN C[C@H]1CN(CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)C[C@H]1C ZINC000848480757 651461680 /nfs/dbraw/zinc/46/16/80/651461680.db2.gz SSDVVPWKCPGUGT-DVOMOZLQSA-N 0 3 317.389 2.456 20 5 DEBDHN Cc1cc(C(=O)NC[C@@H]2CCN2C(C)(C)C)c(N)c([N+](=O)[O-])c1 ZINC000855164370 651638827 /nfs/dbraw/zinc/63/88/27/651638827.db2.gz KXLFUFPPDFYYKT-NSHDSACASA-N 0 3 320.393 2.088 20 5 DEBDHN CO[C@H](CNCc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000850342455 651904068 /nfs/dbraw/zinc/90/40/68/651904068.db2.gz JTYIXKDJNXLEGJ-QMTHXVAHSA-N 0 3 314.769 2.389 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCc1cnccn1 ZINC000850447371 651931173 /nfs/dbraw/zinc/93/11/73/651931173.db2.gz FPQHBSUNEJQDPG-NSHDSACASA-N 0 3 302.334 2.287 20 5 DEBDHN O=[N+]([O-])c1ccc(CNC2(CCO)CCCC2)c([N+](=O)[O-])c1 ZINC000852120156 652345299 /nfs/dbraw/zinc/34/52/99/652345299.db2.gz NUVKNPGAHNLSAR-UHFFFAOYSA-N 0 3 309.322 2.288 20 5 DEBDHN CC([C@@H](OC(=O)COCC(F)F)c1ccccc1F)[N+](=O)[O-] ZINC000860855274 685968754 /nfs/dbraw/zinc/96/87/54/685968754.db2.gz WDPBVWYDQIVIJZ-ISVAXAHUSA-N 0 3 321.251 2.357 20 5 DEBDHN Cc1ccnn1CC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000860855055 685968758 /nfs/dbraw/zinc/96/87/58/685968758.db2.gz PVPXLLPLOPKTLO-IAQYHMDHSA-N 0 3 321.308 2.280 20 5 DEBDHN Cc1cncn1CC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000860854840 685968846 /nfs/dbraw/zinc/96/88/46/685968846.db2.gz KOHUPGVVRYQTGO-XHDPSFHLSA-N 0 3 321.308 2.280 20 5 DEBDHN C[C@@H](NC[C@@H](O)CCC1(O)CCC1)c1ccccc1[N+](=O)[O-] ZINC000930235926 694117006 /nfs/dbraw/zinc/11/70/06/694117006.db2.gz SFBRMSLKTCBTRC-OLZOCXBDSA-N 0 3 308.378 2.302 20 5 DEBDHN CC(COC(=O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1)[N+](=O)[O-] ZINC000870378880 688552536 /nfs/dbraw/zinc/55/25/36/688552536.db2.gz ZECFXKSIPZQDTQ-YNEHKIRRSA-N 0 3 322.361 2.122 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNc1cc2n(n1)CCN(C)C2 ZINC000873152547 689171899 /nfs/dbraw/zinc/17/18/99/689171899.db2.gz TUJLOHWIXBFASB-UHFFFAOYSA-N 0 3 315.377 2.466 20 5 DEBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000874823138 689499412 /nfs/dbraw/zinc/49/94/12/689499412.db2.gz GAMUWEAVBWABNW-STQMWFEESA-N 0 3 321.352 2.351 20 5 DEBDHN COCC1(O)CCN(Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000876748958 689926334 /nfs/dbraw/zinc/92/63/34/689926334.db2.gz HGBXRJFWSRBWFV-UHFFFAOYSA-N 0 3 308.378 2.185 20 5 DEBDHN CCO[C@@H]1C[C@@H](NCc2c(C)ccc([N+](=O)[O-])c2C)[C@@H]1OC ZINC000877352588 690086904 /nfs/dbraw/zinc/08/69/04/690086904.db2.gz ZFMOJGMWDKFAGA-BMFZPTHFSA-N 0 3 308.378 2.494 20 5 DEBDHN C[C@H](N)c1cn(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)nn1 ZINC000881333017 691075178 /nfs/dbraw/zinc/07/51/78/691075178.db2.gz UIDSDBRRUVLMTN-ZETCQYMHSA-N 0 3 315.255 2.273 20 5 DEBDHN C[C@H](NCC[C@H]1CCCS1(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000883305261 691477848 /nfs/dbraw/zinc/47/78/48/691477848.db2.gz SEZBFMQNUQRUKL-SMDDNHRTSA-N 0 3 312.391 2.213 20 5 DEBDHN O=[N+]([O-])c1c(F)cccc1NC[C@H]1CCN1C1CCOCC1 ZINC000896519387 693002665 /nfs/dbraw/zinc/00/26/65/693002665.db2.gz VFQRUZWOEYYFGJ-GFCCVEGCSA-N 0 3 309.341 2.399 20 5 DEBDHN C[C@H](NCC(C)(C)CS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000926953895 693534871 /nfs/dbraw/zinc/53/48/71/693534871.db2.gz OLCOKSKATAWGHB-NSHDSACASA-N 0 3 314.407 2.316 20 5 DEBDHN COC(C)(C)[C@@H](C)NCC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000932369356 694602872 /nfs/dbraw/zinc/60/28/72/694602872.db2.gz KPJGYVAHSJLASM-LLVKDONJSA-N 0 3 309.366 2.245 20 5 DEBDHN O=C(NCCN1CCCCC1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001332846670 1149900399 /nfs/dbraw/zinc/90/03/99/1149900399.db2.gz ADCWSICBGQGHSQ-HZPDHXFCSA-N 0 3 317.389 2.300 20 5 DEBDHN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCCN(C(C)(C)C)CC2)n1 ZINC001442451230 1182479546 /nfs/dbraw/zinc/47/95/46/1182479546.db2.gz ZTAFYPLRYOXMLA-UHFFFAOYSA-N 0 3 320.393 2.245 20 5 DEBDHN CN(C)C1(C(=O)NCCc2cccc([N+](=O)[O-])c2)CCCC1 ZINC001447200132 1184671987 /nfs/dbraw/zinc/67/19/87/1184671987.db2.gz NZKGSTZNUOKTHD-UHFFFAOYSA-N 0 3 305.378 2.128 20 5 DEBDHN O=C(CCc1ccoc1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001125483314 777057404 /nfs/dbraw/zinc/05/74/04/777057404.db2.gz CUSKDCHFTWZQMO-UHFFFAOYSA-N 0 3 317.345 2.026 20 5 DEBDHN C[C@@H](C[N+](C)(C)C)Oc1cc(O)cc([O-])c1Br ZINC001229097984 780471078 /nfs/dbraw/zinc/47/10/78/780471078.db2.gz ZATBKCXAXAMDNN-QMMMGPOBSA-O 0 3 305.192 2.334 20 5 DEBDHN O=C(CCC1CC1)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001155958244 784796121 /nfs/dbraw/zinc/79/61/21/784796121.db2.gz SEFQCQOFGUFYRZ-UHFFFAOYSA-N 0 3 311.407 2.442 20 5 DEBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCN(Cc3ccccc3F)CC2)C1 ZINC001169028500 785007879 /nfs/dbraw/zinc/00/78/79/785007879.db2.gz SSBOWLSGWOXVTF-GDBMZVCRSA-N 0 3 321.396 2.389 20 5 DEBDHN C[C@@H](N)c1ccn(-c2ncc([N+](=O)[O-])cc2C(F)(F)F)n1 ZINC001169233414 785099274 /nfs/dbraw/zinc/09/92/74/785099274.db2.gz PYVMBQLWEAFOMW-ZCFIWIBFSA-N 0 3 301.228 2.214 20 5 DEBDHN COc1ccc(C[C@@H](C)n2nc(CN)cc2C)c([N+](=O)[O-])c1 ZINC001170297596 786892088 /nfs/dbraw/zinc/89/20/88/786892088.db2.gz QKTUGLGOSMDMLX-SNVBAGLBSA-N 0 3 304.350 2.371 20 5 DEBDHN COc1ccc(C[C@H](C)N2CC[C@H]3OCC[C@H]32)c([N+](=O)[O-])c1 ZINC001170335643 786913880 /nfs/dbraw/zinc/91/38/80/786913880.db2.gz PSVVFJYKQIYPMX-SGIREYDYSA-N 0 3 306.362 2.398 20 5 DEBDHN COC(=O)[C@H]1CCN([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170335146 786914513 /nfs/dbraw/zinc/91/45/13/786914513.db2.gz LRJDYIYMNKFFSV-AAEUAGOBSA-N 0 3 322.361 2.029 20 5 DEBDHN COc1ccc(C[C@H](C)NCc2cccnn2)c([N+](=O)[O-])c1 ZINC001170307587 786915462 /nfs/dbraw/zinc/91/54/62/786915462.db2.gz HTORHEJYOVUSGM-NSHDSACASA-N 0 3 302.334 2.114 20 5 DEBDHN COc1ccc(C[C@H](C)N(C)CC(OC)OC)c([N+](=O)[O-])c1 ZINC001170351652 786931859 /nfs/dbraw/zinc/93/18/59/786931859.db2.gz GQMUUBPJFHNRLW-NSHDSACASA-N 0 3 312.366 2.085 20 5 DEBDHN Cc1cc(C(=O)NCCN2CCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC001135001403 789161461 /nfs/dbraw/zinc/16/14/61/789161461.db2.gz ZGXVNQRPWRRFHG-UHFFFAOYSA-N 0 3 305.378 2.365 20 5 DEBDHN CCN(CC)CC(=O)NCCCNc1cc(C)ccc1[N+](=O)[O-] ZINC001094442300 792925995 /nfs/dbraw/zinc/92/59/95/792925995.db2.gz YTMZBYJAXZFPGC-UHFFFAOYSA-N 0 3 322.409 2.163 20 5 DEBDHN COCCn1cnc(CN[C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173225680 793643127 /nfs/dbraw/zinc/64/31/27/793643127.db2.gz USLAOUVMPSYUHY-CYBMUJFWSA-N 0 3 318.377 2.159 20 5 DEBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N[C@@H](C(N)=O)c1ccccc1 ZINC001173228730 793643636 /nfs/dbraw/zinc/64/36/36/793643636.db2.gz JVFNYSXXGFNJLV-BLLLJJGKSA-N 0 3 313.357 2.342 20 5 DEBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC(F)(F)[C@H](CO)C1 ZINC001173229861 793644511 /nfs/dbraw/zinc/64/45/11/793644511.db2.gz VWUINDUVCWHOCN-AAEUAGOBSA-N 0 3 314.332 2.475 20 5 DEBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1C(=O)N(C)C ZINC001173233695 793646280 /nfs/dbraw/zinc/64/62/80/793646280.db2.gz MEBSOKZXNYXIEZ-DOMZBBRYSA-N 0 3 305.378 2.078 20 5 DEBDHN CC1(O)CCC(NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC001181267912 795449414 /nfs/dbraw/zinc/44/94/14/795449414.db2.gz WHRVSBOLAGYPQJ-UHFFFAOYSA-N 0 3 304.350 2.254 20 5 DEBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CN2CCC1CC2 ZINC001120774503 795528365 /nfs/dbraw/zinc/52/83/65/795528365.db2.gz RCLIIGBQGQYNMR-CQSZACIVSA-N 0 3 323.780 2.001 20 5 DEBDHN CC(COC(=O)[C@@H]1CCCCN1Cc1cccc(F)c1)[N+](=O)[O-] ZINC001122950924 795825874 /nfs/dbraw/zinc/82/58/74/795825874.db2.gz PBOXYCZZNJICOM-WFASDCNBSA-N 0 3 324.352 2.389 20 5 DEBDHN O=c1[n-]ccc(N[C@@H]2CC[N@H+](CC3CCCC3)C2)c1[N+](=O)[O-] ZINC001185565397 796282823 /nfs/dbraw/zinc/28/28/23/796282823.db2.gz PWHBAHFFJVQDRT-GFCCVEGCSA-N 0 3 306.366 2.372 20 5 DEBDHN O=c1[n-]ccc(N[C@@H]2CC[N@@H+](CC3CCCC3)C2)c1[N+](=O)[O-] ZINC001185565397 796282827 /nfs/dbraw/zinc/28/28/27/796282827.db2.gz PWHBAHFFJVQDRT-GFCCVEGCSA-N 0 3 306.366 2.372 20 5 DEBDHN COc1cnc(-n2c3ccccc3nc2[C@H](C)N)c([N+](=O)[O-])c1 ZINC001155254922 797718881 /nfs/dbraw/zinc/71/88/81/797718881.db2.gz PHKAKHXIVPFCFI-VIFPVBQESA-N 0 3 313.317 2.357 20 5 DEBDHN Cc1nc(Cl)c([N+](=O)[O-])c(-n2nc(CN)c3ccccc32)n1 ZINC001156856340 798096846 /nfs/dbraw/zinc/09/68/46/798096846.db2.gz QKPYWNSOJBJIOS-UHFFFAOYSA-N 0 3 318.724 2.144 20 5 DEBDHN NCc1nn(-c2cc([N+](=O)[O-])c3cc[nH]c3n2)c2ccccc12 ZINC001156861002 798097100 /nfs/dbraw/zinc/09/71/00/798097100.db2.gz YOMMFNLEJZRTOP-UHFFFAOYSA-N 0 3 308.301 2.269 20 5 DEBDHN Cc1cc([N+](=O)[O-])c(N2C[C@H]3CCCN(C)[C@@H]3C2)nc1Cl ZINC001157265615 798173682 /nfs/dbraw/zinc/17/36/82/798173682.db2.gz KBMKJPKXNXTXIQ-ZYHUDNBSSA-N 0 3 310.785 2.482 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC001200804428 798682411 /nfs/dbraw/zinc/68/24/11/798682411.db2.gz ZAJDDHBQADFCLS-KFNAQCHYSA-N 0 3 317.389 2.311 20 5 DEBDHN CCOC(=O)c1cc([N+](=O)[O-])cnc1N[C@@]1(C)CCCN(C)C1 ZINC001162337478 799064137 /nfs/dbraw/zinc/06/41/37/799064137.db2.gz PCNKGPBXPZZCIL-HNNXBMFYSA-N 0 3 322.365 2.063 20 5 DEBDHN CN(CCCNC(=O)CC1CC1)Cc1cccc([N+](=O)[O-])c1 ZINC001231137824 801589465 /nfs/dbraw/zinc/58/94/65/801589465.db2.gz BBLOXRURFBUIKC-UHFFFAOYSA-N 0 3 305.378 2.333 20 5 DEBDHN CN1CCCC[C@H]1CNC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001346501726 1150997289 /nfs/dbraw/zinc/99/72/89/1150997289.db2.gz ZFALNWWOOCBMQJ-NSHDSACASA-N 0 3 310.329 2.340 20 5 DEBDHN CN(C)Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2N)c1 ZINC001463868997 1059036509 /nfs/dbraw/zinc/03/65/09/1059036509.db2.gz KDIRZLDZPVWELA-UHFFFAOYSA-N 0 3 314.345 2.491 20 5 DEBDHN C/C=C(\C)C(=O)NCCCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC001479764261 1061704295 /nfs/dbraw/zinc/70/42/95/1061704295.db2.gz OYGHUNOSGHDYKW-YIXHJXPBSA-N 0 3 305.378 2.499 20 5 DEBDHN O=C(N[C@@]12CCN(C1)CCC2)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001535434352 1072107171 /nfs/dbraw/zinc/10/71/71/1072107171.db2.gz ABNIIKWVRZJWPJ-AWEZNQCLSA-N 0 3 309.753 2.216 20 5 DEBDHN CC(C)CC[C@@H](N)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001575560915 1066352727 /nfs/dbraw/zinc/35/27/27/1066352727.db2.gz PDWMAYUMVCINJE-LLVKDONJSA-N 0 3 305.338 2.173 20 5 DEBDHN CN(CCCNCc1ccccc1[N+](=O)[O-])C(=O)C1CC=CC1 ZINC001498530593 1066763811 /nfs/dbraw/zinc/76/38/11/1066763811.db2.gz VVZPNIJILTTXAZ-UHFFFAOYSA-N 0 3 317.389 2.499 20 5 DEBDHN CC[C@@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@@H]1C ZINC001577162341 1066777392 /nfs/dbraw/zinc/77/73/92/1066777392.db2.gz VTGQTOGXCBISSR-GHMZBOCLSA-N 0 3 316.365 2.395 20 5 DEBDHN CC[C@@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@@H]1C ZINC001577162341 1066777403 /nfs/dbraw/zinc/77/74/03/1066777403.db2.gz VTGQTOGXCBISSR-GHMZBOCLSA-N 0 3 316.365 2.395 20 5 DEBDHN CC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@@H]1C ZINC001577162341 1066777412 /nfs/dbraw/zinc/77/74/12/1066777412.db2.gz VTGQTOGXCBISSR-GHMZBOCLSA-N 0 3 316.365 2.395 20 5 DEBDHN CC[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@@H]1C ZINC001577162341 1066777424 /nfs/dbraw/zinc/77/74/24/1066777424.db2.gz VTGQTOGXCBISSR-GHMZBOCLSA-N 0 3 316.365 2.395 20 5 DEBDHN CCOc1cc(NC(=O)N2C[C@@H](C)NC[C@H]2C)ccc1[N+](=O)[O-] ZINC001578168213 1067002616 /nfs/dbraw/zinc/00/26/16/1067002616.db2.gz ANIFXGWPFRKIOD-GHMZBOCLSA-N 0 3 322.365 2.208 20 5 DEBDHN CN1C[C@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC001639135139 1078596838 /nfs/dbraw/zinc/59/68/38/1078596838.db2.gz FPLNMPQYEHSNMI-MRZGDXHCSA-N 0 3 303.362 2.064 20 5 DEBDHN CN1C[C@@H](NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC001639135138 1078596958 /nfs/dbraw/zinc/59/69/58/1078596958.db2.gz FPLNMPQYEHSNMI-DEBLGDTFSA-N 0 3 303.362 2.064 20 5 DEBDHN CCC(CC)(CCO)[NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC001560782363 1075145207 /nfs/dbraw/zinc/14/52/07/1075145207.db2.gz JXDXMMZLOSZQMJ-UHFFFAOYSA-N 0 3 312.366 2.340 20 5 DEBDHN CC[C@@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001609200611 1077795797 /nfs/dbraw/zinc/79/57/97/1077795797.db2.gz ADBKRDSMXCHCKL-SNVBAGLBSA-N 0 3 302.338 2.007 20 5 DEBDHN CC[C@@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001609200611 1077795803 /nfs/dbraw/zinc/79/58/03/1077795803.db2.gz ADBKRDSMXCHCKL-SNVBAGLBSA-N 0 3 302.338 2.007 20 5 DEBDHN CC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001609200611 1077795808 /nfs/dbraw/zinc/79/58/08/1077795808.db2.gz ADBKRDSMXCHCKL-SNVBAGLBSA-N 0 3 302.338 2.007 20 5 DEBDHN CC[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001609200611 1077795813 /nfs/dbraw/zinc/79/58/13/1077795813.db2.gz ADBKRDSMXCHCKL-SNVBAGLBSA-N 0 3 302.338 2.007 20 5 DEBDHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)C(C)(F)F ZINC001482908134 1082551498 /nfs/dbraw/zinc/55/14/98/1082551498.db2.gz ACSDURVEXCHIQS-UHFFFAOYSA-N 0 3 315.320 2.188 20 5 DEBDHN CSc1ccc(C(=O)N2C[C@H]3CCN(C)[C@H]3C2)cc1[N+](=O)[O-] ZINC001129073532 1086590249 /nfs/dbraw/zinc/59/02/49/1086590249.db2.gz HZSJMSCMZVXKQQ-YPMHNXCESA-N 0 3 321.402 2.093 20 5 DEBDHN C[C@@H](C(=O)NC[C@H]1CCCCN1C)c1cccc([N+](=O)[O-])c1 ZINC001337478235 1142759682 /nfs/dbraw/zinc/75/96/82/1142759682.db2.gz CXARBGYJYMIGLI-IUODEOHRSA-N 0 3 305.378 2.299 20 5 DEBDHN COc1cc(C(=O)NC[C@@H]2CCCCN2C)cc([N+](=O)[O-])c1C ZINC001337559039 1142768491 /nfs/dbraw/zinc/76/84/91/1142768491.db2.gz ZMMGRUHXHYFXPH-ZDUSSCGKSA-N 0 3 321.377 2.126 20 5 DEBDHN O=[N+]([O-])c1ccc(N2CCC(NCc3cnco3)CC2)cc1 ZINC001254465542 1143127844 /nfs/dbraw/zinc/12/78/44/1143127844.db2.gz CAQQUMOPEZDURO-UHFFFAOYSA-N 0 3 302.334 2.341 20 5 DEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](CO)c1ccccn1 ZINC001254543438 1143242379 /nfs/dbraw/zinc/24/23/79/1143242379.db2.gz RNVCWOURQHLOOR-WFASDCNBSA-N 0 3 301.346 2.244 20 5 DEBDHN CC[C@H](C)C[C@H](N)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001340065292 1143250411 /nfs/dbraw/zinc/25/04/11/1143250411.db2.gz PCPCTDDHDFDWGI-NHYWBVRUSA-N 0 3 305.378 2.243 20 5 DEBDHN CC(=O)N(C)C1CCN([C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254566373 1143251702 /nfs/dbraw/zinc/25/17/02/1143251702.db2.gz SXLXDYOYGNDWTF-ZDUSSCGKSA-N 0 3 319.405 2.469 20 5 DEBDHN CCOC(=O)C1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254595709 1143272149 /nfs/dbraw/zinc/27/21/49/1143272149.db2.gz YNINGCPCBPQPGG-MRXNPFEDSA-N 0 3 318.373 2.337 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CC(N3CCCCC3)C1)C2 ZINC001254602681 1143277713 /nfs/dbraw/zinc/27/77/13/1143277713.db2.gz IJNXSZHCJZNPMQ-INIZCTEOSA-N 0 3 301.390 2.232 20 5 DEBDHN COC(=O)[C@H]1CCC[C@H]1NCc1cc([N+](=O)[O-])ccc1OC ZINC001256176642 1143833345 /nfs/dbraw/zinc/83/33/45/1143833345.db2.gz WGKMGZBVDZHKLF-QWHCGFSZSA-N 0 3 308.334 2.035 20 5 DEBDHN CCN1C[C@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])C(C)(C)C1 ZINC001304040969 1147343068 /nfs/dbraw/zinc/34/30/68/1147343068.db2.gz DRGVNHAQSOLDSH-ZDUSSCGKSA-N 0 3 309.341 2.194 20 5 DEBDHN CN1CCCC[C@@H]1CNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001339268027 1147399736 /nfs/dbraw/zinc/39/97/36/1147399736.db2.gz WATSAWAYCIYIRS-OAGGEKHMSA-N 0 3 317.389 2.299 20 5 DEBDHN N[C@@H](CC(F)F)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423732733 230541391 /nfs/dbraw/zinc/54/13/91/230541391.db2.gz ZXLOLJCZQNQZLT-LBPRGKRZSA-N 0 3 313.304 2.068 20 5 DEBDHN CS[C@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)C[C@H]1N(C)C ZINC000278427662 214144371 /nfs/dbraw/zinc/14/43/71/214144371.db2.gz PGIRTLJYJNVKOQ-KGLIPLIRSA-N 0 3 322.434 2.045 20 5 DEBDHN COCC(C)(C)N1CCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000425284618 230704439 /nfs/dbraw/zinc/70/44/39/230704439.db2.gz VOBFKFBFMWPGOW-UHFFFAOYSA-N 0 3 307.394 2.450 20 5 DEBDHN C[C@@H]1C[C@@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCN1C ZINC000088055966 185238418 /nfs/dbraw/zinc/23/84/18/185238418.db2.gz IARJJZNKGNJMRE-KOLCDFICSA-N 0 3 311.769 2.461 20 5 DEBDHN CCNC(=O)N1CC[C@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000090410198 185294884 /nfs/dbraw/zinc/29/48/84/185294884.db2.gz MSLZUFFGLPNOCU-STQMWFEESA-N 0 3 320.393 2.358 20 5 DEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCS[C@@H]2CCCC[C@@H]21 ZINC000090552065 185302646 /nfs/dbraw/zinc/30/26/46/185302646.db2.gz GZKAOEMVBIRWFP-UONOGXRCSA-N 0 3 323.418 2.117 20 5 DEBDHN CCc1nn(C)c(NCCN2CCCC(C)(C)C2)c1[N+](=O)[O-] ZINC000443961420 529767649 /nfs/dbraw/zinc/76/76/49/529767649.db2.gz LIEKRGUZINPYDW-UHFFFAOYSA-N 0 3 309.414 2.425 20 5 DEBDHN CN(CCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000299274074 529915382 /nfs/dbraw/zinc/91/53/82/529915382.db2.gz LTHDDPKZYLYMON-UHFFFAOYSA-N 0 3 312.757 2.464 20 5 DEBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)N(C)C1CC1 ZINC000139273655 186020900 /nfs/dbraw/zinc/02/09/00/186020900.db2.gz UZWBBADZHQOYJE-VIFPVBQESA-N 0 3 311.769 2.461 20 5 DEBDHN CCC1(CC)[C@@H](OC)C[C@@H]1N(C)CCn1cc([N+](=O)[O-])cn1 ZINC000140657488 186027513 /nfs/dbraw/zinc/02/75/13/186027513.db2.gz IREYWXLNUUYGCD-KBPBESRZSA-N 0 3 310.398 2.317 20 5 DEBDHN CC[C@@]1(NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCOC1 ZINC000616865394 362952045 /nfs/dbraw/zinc/95/20/45/362952045.db2.gz PROKWHFBDUBWBT-OAHLLOKOSA-N 0 3 307.350 2.000 20 5 DEBDHN COc1cc(C[NH2+]CC2CC(F)(F)C2)c([N+](=O)[O-])cc1[O-] ZINC000291733857 186636708 /nfs/dbraw/zinc/63/67/08/186636708.db2.gz OBJOIVKACNYCRN-UHFFFAOYSA-N 0 3 302.277 2.444 20 5 DEBDHN C[C@@H](NCCN1CCOCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000173381122 198208384 /nfs/dbraw/zinc/20/83/84/198208384.db2.gz ASUGAFBNDVPDCO-CYBMUJFWSA-N 0 3 307.394 2.356 20 5 DEBDHN CC(C)[C@H](C)N(C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000030150457 354119837 /nfs/dbraw/zinc/11/98/37/354119837.db2.gz PCFNPERODVTBDO-LBPRGKRZSA-N 0 3 305.378 2.460 20 5 DEBDHN Cc1nn(C)c(N[C@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000051265281 354382046 /nfs/dbraw/zinc/38/20/46/354382046.db2.gz ZEWVWQSRNPYNMG-AWEZNQCLSA-N 0 3 315.377 2.323 20 5 DEBDHN CN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C1CCN(C)CC1 ZINC000056057540 354521566 /nfs/dbraw/zinc/52/15/66/354521566.db2.gz GHQDWXMDIJGSNX-UHFFFAOYSA-N 0 3 316.361 2.242 20 5 DEBDHN CC(C)c1ccc(CNCCN2CCOCC2)cc1[N+](=O)[O-] ZINC000061003305 354622657 /nfs/dbraw/zinc/62/26/57/354622657.db2.gz ODNUUANERFKFOO-UHFFFAOYSA-N 0 3 307.394 2.140 20 5 DEBDHN O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1CN1CCCC1 ZINC000066944777 354740117 /nfs/dbraw/zinc/74/01/17/354740117.db2.gz PEUKQNFGUPFFBV-OAHLLOKOSA-N 0 3 303.362 2.295 20 5 DEBDHN C[C@H]1CN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1C ZINC000072873044 354927059 /nfs/dbraw/zinc/92/70/59/354927059.db2.gz JNYWQSPRKJKLJS-TYNCELHUSA-N 0 3 303.362 2.288 20 5 DEBDHN CCNC(=O)CN[C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000129622333 355835649 /nfs/dbraw/zinc/83/56/49/355835649.db2.gz PYAOSXAURBYVNI-OCCSQVGLSA-N 0 3 305.378 2.032 20 5 DEBDHN CCN1CCC(Nc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000315843940 356426315 /nfs/dbraw/zinc/42/63/15/356426315.db2.gz LBRWNAMIPAIYHA-UHFFFAOYSA-N 0 3 301.350 2.434 20 5 DEBDHN Cc1c(Cc2noc([C@@H]3CCN(C)C3)n2)cccc1[N+](=O)[O-] ZINC000350161183 356509697 /nfs/dbraw/zinc/50/96/97/356509697.db2.gz MWYCUAPDFXGSBG-GFCCVEGCSA-N 0 3 302.334 2.296 20 5 DEBDHN Cc1cccc(CCN2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000581485768 357195379 /nfs/dbraw/zinc/19/53/79/357195379.db2.gz LHSNADFHHIAETF-UHFFFAOYSA-N 0 3 315.377 2.374 20 5 DEBDHN CCCN(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C(C)C ZINC000581378390 357178798 /nfs/dbraw/zinc/17/87/98/357178798.db2.gz ISASPORPUDHVBA-UHFFFAOYSA-N 0 3 323.349 2.382 20 5 DEBDHN C[C@H]1COCC[C@H]1CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000586782446 357369643 /nfs/dbraw/zinc/36/96/43/357369643.db2.gz NYSRUJDHAZTEPJ-RYUDHWBXSA-N 0 3 322.361 2.128 20 5 DEBDHN Cc1ccc(NC(=O)N2C[C@H]3CCN(C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000590796718 357613882 /nfs/dbraw/zinc/61/38/82/357613882.db2.gz NDXPSFBEJYKZAV-RISCZKNCSA-N 0 3 304.350 2.071 20 5 DEBDHN O=[N+]([O-])c1ccc(OCCNCc2cnc(C3CC3)nc2)cc1 ZINC000590957113 357652518 /nfs/dbraw/zinc/65/25/18/357652518.db2.gz XVGQVHHAHRNAJM-UHFFFAOYSA-N 0 3 314.345 2.431 20 5 DEBDHN CCCN(C(=O)c1ccc(C)c([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000592831356 357953275 /nfs/dbraw/zinc/95/32/75/357953275.db2.gz LJNATOFGLCXZGY-AWEZNQCLSA-N 0 3 305.378 2.460 20 5 DEBDHN CCCCN(C)CCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593466052 358085167 /nfs/dbraw/zinc/08/51/67/358085167.db2.gz USVQNIQLOBLARC-UHFFFAOYSA-N 0 3 311.357 2.125 20 5 DEBDHN CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)OCC(C)[N+](=O)[O-] ZINC000495902667 283349623 /nfs/dbraw/zinc/34/96/23/283349623.db2.gz KRJUSFPLHSEUQI-QMTHXVAHSA-N 0 3 318.370 2.278 20 5 DEBDHN COc1cc(C[NH2+][C@H](C)Cc2ccccn2)c([N+](=O)[O-])cc1[O-] ZINC000594516397 358287908 /nfs/dbraw/zinc/28/79/08/358287908.db2.gz DCTVSEJCSMZAFH-LLVKDONJSA-N 0 3 317.345 2.425 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCSCCCO ZINC000595013273 358377931 /nfs/dbraw/zinc/37/79/31/358377931.db2.gz RSBQKMXAIGOMRM-LLVKDONJSA-N 0 3 314.407 2.370 20 5 DEBDHN CCOC1CC(O)(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595044024 358382853 /nfs/dbraw/zinc/38/28/53/358382853.db2.gz JXDVUAZMVALMPU-XOMBGVMMSA-N 0 3 324.377 2.184 20 5 DEBDHN O=C(NCc1cccc([N+](=O)[O-])c1)c1cc2c(s1)CCNC2 ZINC000595924219 358582126 /nfs/dbraw/zinc/58/21/26/358582126.db2.gz IMXYVJFABVUADZ-UHFFFAOYSA-N 0 3 317.370 2.232 20 5 DEBDHN O=C1CC[C@@H]2CN(C/C=C/c3ccccc3[N+](=O)[O-])CC[C@@H]2N1 ZINC000597206643 358854370 /nfs/dbraw/zinc/85/43/70/358854370.db2.gz PSGGQUGEPXVPCH-SZWGIHMLSA-N 0 3 315.373 2.209 20 5 DEBDHN O=C(N[C@@H]1CCN(C2CCCCC2)C1)c1ccc([N+](=O)[O-])o1 ZINC000598217784 359127694 /nfs/dbraw/zinc/12/76/94/359127694.db2.gz BQTDMQSNAVURQU-LLVKDONJSA-N 0 3 307.350 2.325 20 5 DEBDHN CCCN1CC[C@@H](NC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000598341972 359168860 /nfs/dbraw/zinc/16/88/60/359168860.db2.gz JPYZLYHIQPMXNN-SNVBAGLBSA-N 0 3 311.769 2.462 20 5 DEBDHN CC(C)[C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCN1 ZINC000598575008 359247242 /nfs/dbraw/zinc/24/72/42/359247242.db2.gz OJUNNYITCBUPND-LBPRGKRZSA-N 0 3 311.769 2.318 20 5 DEBDHN CC[C@@]1(CO)CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000187594220 200132277 /nfs/dbraw/zinc/13/22/77/200132277.db2.gz BFXKGZWURFACKI-MRXNPFEDSA-N 0 3 308.378 2.458 20 5 DEBDHN CN(C/C=C\c1ccccc1[N+](=O)[O-])[C@H]1CCC(=O)N(C)C1 ZINC000600179212 359677363 /nfs/dbraw/zinc/67/73/63/359677363.db2.gz VQMSVBZDSNAVNX-VSKVDJIOSA-N 0 3 303.362 2.161 20 5 DEBDHN Cc1cnc(OCCCN2CCN(C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000188322069 200227802 /nfs/dbraw/zinc/22/78/02/200227802.db2.gz ZCDHWUFSQTWJEY-UHFFFAOYSA-N 0 3 322.409 2.093 20 5 DEBDHN O=[N+]([O-])c1ccc(CO)c(-c2ccc(N3CCNCC3)cc2)c1 ZINC000600784169 359828770 /nfs/dbraw/zinc/82/87/70/359828770.db2.gz YRHFWGROGYEAGI-UHFFFAOYSA-N 0 3 313.357 2.164 20 5 DEBDHN C[C@H]1C[C@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)CN1C1CC1 ZINC000602567594 360436045 /nfs/dbraw/zinc/43/60/45/360436045.db2.gz HKDLRBOYUOFJFX-QWRGUYRKSA-N 0 3 316.361 2.451 20 5 DEBDHN C[C@@H](CNCc1cc(Br)c([N+](=O)[O-])s1)N(C)C ZINC000602594244 360448222 /nfs/dbraw/zinc/44/82/22/360448222.db2.gz PGRUMFNDOVIPRV-ZETCQYMHSA-N 0 3 322.228 2.459 20 5 DEBDHN C[C@H]1CCN(CCNCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602594313 360448918 /nfs/dbraw/zinc/44/89/18/360448918.db2.gz RXWSCUFEEZBESC-NSHDSACASA-N 0 3 304.350 2.167 20 5 DEBDHN CC(C)(C)c1nnc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)[n-]1 ZINC000602689249 360499532 /nfs/dbraw/zinc/49/95/32/360499532.db2.gz ARBDGHFBSUNZFS-UHFFFAOYSA-N 0 3 303.366 2.343 20 5 DEBDHN CCO[C@@H]1C[C@@H](N(C)CCn2c(C)ncc2[N+](=O)[O-])C1(C)C ZINC000602779223 360549694 /nfs/dbraw/zinc/54/96/94/360549694.db2.gz LILUJPZIYBQERQ-CHWSQXEVSA-N 0 3 310.398 2.235 20 5 DEBDHN Cc1cc(NC[C@H]2CC[C@@H](CO)O2)c2cc([N+](=O)[O-])ccc2n1 ZINC000292678790 223196975 /nfs/dbraw/zinc/19/69/75/223196975.db2.gz ILTGUVYBUQUHJI-OLZOCXBDSA-N 0 3 317.345 2.403 20 5 DEBDHN Cc1cc(N[C@H](C)CCN2CCN(C)CC2)c(F)cc1[N+](=O)[O-] ZINC000292812170 223256830 /nfs/dbraw/zinc/25/68/30/223256830.db2.gz ZFGIZNRUWAXPCL-CYBMUJFWSA-N 0 3 324.400 2.480 20 5 DEBDHN COc1ccc(OCCN2CCC(CCO)CC2)c([N+](=O)[O-])c1 ZINC000610368934 361390091 /nfs/dbraw/zinc/39/00/91/361390091.db2.gz GZKISPPAYTZUMU-UHFFFAOYSA-N 0 3 324.377 2.077 20 5 DEBDHN C[C@@H]1CN(CCCCNc2cccnc2[N+](=O)[O-])C[C@H](C)O1 ZINC000610734576 361454994 /nfs/dbraw/zinc/45/49/94/361454994.db2.gz VHGDPXOCFYMOHB-BETUJISGSA-N 0 3 308.382 2.291 20 5 DEBDHN CC[C@@H](CN1CCCC1)NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000610970668 361502696 /nfs/dbraw/zinc/50/26/96/361502696.db2.gz MZDODTKZAMDKLF-HNNXBMFYSA-N 0 3 319.405 2.436 20 5 DEBDHN CCN(C[C@H]1CCOC1)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000611204898 361547471 /nfs/dbraw/zinc/54/74/71/361547471.db2.gz APFFQTUGJZXCFW-QWHCGFSZSA-N 0 3 321.377 2.280 20 5 DEBDHN CCn1cnnc1CCN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000611336029 361581950 /nfs/dbraw/zinc/58/19/50/361581950.db2.gz QJKHOKMDXQGZNR-LBPRGKRZSA-N 0 3 303.366 2.408 20 5 DEBDHN Cc1cc([C@H](C)NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c(C)s1 ZINC000194561398 201253291 /nfs/dbraw/zinc/25/32/91/201253291.db2.gz VNECJZXTGYREOI-GXFFZTMASA-N 0 3 324.406 2.181 20 5 DEBDHN CN(C)C[C@@H]1CCCN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611709763 361664789 /nfs/dbraw/zinc/66/47/89/361664789.db2.gz TYSWHYMHRTWMBI-LBPRGKRZSA-N 0 3 301.350 2.068 20 5 DEBDHN COc1ccc(NC(=O)C2CCN(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000195308074 201378022 /nfs/dbraw/zinc/37/80/22/201378022.db2.gz AHAOGZBFTNCTHD-UHFFFAOYSA-N 0 3 319.361 2.416 20 5 DEBDHN Cc1ncc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c(=O)[n-]1 ZINC000449231638 240226997 /nfs/dbraw/zinc/22/69/97/240226997.db2.gz FCHNLHXPJUAWHF-JTQLQIEISA-N 0 3 302.334 2.120 20 5 DEBDHN CCOC[C@@H](O)CN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543496 243092694 /nfs/dbraw/zinc/09/26/94/243092694.db2.gz CBJYYGNAUFFWFN-HOCLYGCPSA-N 0 3 308.378 2.172 20 5 DEBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)N(C)Cc1ccccc1 ZINC000264755993 204131595 /nfs/dbraw/zinc/13/15/95/204131595.db2.gz MACKFHANKQBEON-LBPRGKRZSA-N 0 3 316.361 2.173 20 5 DEBDHN CCN1CCCC[C@H]1CNc1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000264760594 204135700 /nfs/dbraw/zinc/13/57/00/204135700.db2.gz NOTKDIBWBTVNBK-ZDUSSCGKSA-N 0 3 320.393 2.241 20 5 DEBDHN CCN1CCCC[C@@H]1C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282518714 217057153 /nfs/dbraw/zinc/05/71/53/217057153.db2.gz PIRLNKOUJXNEPM-MRXNPFEDSA-N 0 3 319.405 2.470 20 5 DEBDHN COCCCn1nccc1CNCCc1ccccc1[N+](=O)[O-] ZINC000282640473 217145114 /nfs/dbraw/zinc/14/51/14/217145114.db2.gz LAZIZEBFKZBEGI-UHFFFAOYSA-N 0 3 318.377 2.160 20 5 DEBDHN CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(C)c2)CCN1C[C@H](C)O ZINC000266433018 205341407 /nfs/dbraw/zinc/34/14/07/205341407.db2.gz URSRBSDDVLHYOZ-UONOGXRCSA-N 0 3 307.394 2.185 20 5 DEBDHN CCN1CCC[C@H]1CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000020553515 182230722 /nfs/dbraw/zinc/23/07/22/182230722.db2.gz AELBUWWJWVEGNZ-NSHDSACASA-N 0 3 311.769 2.462 20 5 DEBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)/C=C/CN(C)C ZINC000491872674 248970895 /nfs/dbraw/zinc/97/08/95/248970895.db2.gz SBDKEDBOTZYBRP-AATRIKPKSA-N 0 3 305.378 2.450 20 5 DEBDHN CN(C)C/C=C/C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000493244127 249257975 /nfs/dbraw/zinc/25/79/75/249257975.db2.gz YTRJJPSTOBXPMZ-DRDHIDPGSA-N 0 3 317.389 2.419 20 5 DEBDHN CN(CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000273810031 211080458 /nfs/dbraw/zinc/08/04/58/211080458.db2.gz ARCAVJSRQOIHLN-UHFFFAOYSA-N 0 3 323.368 2.222 20 5 DEBDHN CCOC(=O)N1CC[C@H](N[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000285146191 218308948 /nfs/dbraw/zinc/30/89/48/218308948.db2.gz LZXITQFXQARVKV-PWSUYJOCSA-N 0 3 322.365 2.058 20 5 DEBDHN O=[N+]([O-])c1ccc(CCN2CCS[C@H]3COCC[C@@H]32)cc1 ZINC000135533885 285111270 /nfs/dbraw/zinc/11/12/70/285111270.db2.gz SGMHYDFPFDKDFH-GJZGRUSLSA-N 0 3 308.403 2.344 20 5 DEBDHN COCC1(N[C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000540749782 285126170 /nfs/dbraw/zinc/12/61/70/285126170.db2.gz OHBBLXAQQCNWOQ-NSHDSACASA-N 0 3 307.350 2.081 20 5 DEBDHN CC(C)(C)CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000272925806 210310823 /nfs/dbraw/zinc/31/08/23/210310823.db2.gz JUGNLSHLEPDXSJ-UHFFFAOYSA-N 0 3 300.380 2.004 20 5 DEBDHN O=[N+]([O-])c1ccn(CCN[C@@H]2CCCc3c(O)cccc32)n1 ZINC000192365585 285168079 /nfs/dbraw/zinc/16/80/79/285168079.db2.gz UWKFHVPEWGRKPC-CYBMUJFWSA-N 0 3 302.334 2.164 20 5 DEBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@H]2Cc2ccccc2)c1 ZINC000157552419 197196506 /nfs/dbraw/zinc/19/65/06/197196506.db2.gz ARAXMNNTOXCZKQ-HNNXBMFYSA-N 0 3 300.362 2.498 20 5 DEBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000157206538 197170295 /nfs/dbraw/zinc/17/02/95/197170295.db2.gz GGIOLVZLBIWIGJ-HIFRSBDPSA-N 0 3 303.362 2.151 20 5 DEBDHN CC(C)(C)N1CCCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000541857722 285190869 /nfs/dbraw/zinc/19/08/69/285190869.db2.gz RXMMTNHHMKJADM-UHFFFAOYSA-N 0 3 320.393 2.123 20 5 DEBDHN CC(=O)N1CC[C@H](CN(C)Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000156510023 197118753 /nfs/dbraw/zinc/11/87/53/197118753.db2.gz ZTTDYIFEPDDPFI-CQSZACIVSA-N 0 3 305.378 2.203 20 5 DEBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000120477323 195173737 /nfs/dbraw/zinc/17/37/37/195173737.db2.gz HJZSXYXAMAQODW-YGRLFVJLSA-N 0 3 309.341 2.146 20 5 DEBDHN COc1cc(C(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000120956153 195270793 /nfs/dbraw/zinc/27/07/93/195270793.db2.gz VEWDMRFRLQSUMV-AAEUAGOBSA-N 0 3 321.377 2.016 20 5 DEBDHN Cc1ccc(NC(=O)N2CCN(C)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000340251508 131274374 /nfs/dbraw/zinc/27/43/74/131274374.db2.gz LIHHSIMSLMLEHA-GFCCVEGCSA-N 0 3 306.366 2.461 20 5 DEBDHN CCOc1ccc(C(=O)N[C@@H]2CCCN(C)[C@H]2C)cc1[N+](=O)[O-] ZINC000343528857 132686628 /nfs/dbraw/zinc/68/66/28/132686628.db2.gz MBTYEDDBTQYIBC-WCQYABFASA-N 0 3 321.377 2.206 20 5 DEBDHN C[C@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCCOC1 ZINC000355781365 133047589 /nfs/dbraw/zinc/04/75/89/133047589.db2.gz WUTAUGZBMBDARE-NWDGAFQWSA-N 0 3 322.361 2.366 20 5 DEBDHN C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000357936603 133110318 /nfs/dbraw/zinc/11/03/18/133110318.db2.gz LVUAVGCWEWQNJS-JTQLQIEISA-N 0 3 307.325 2.114 20 5 DEBDHN Cc1n[nH]cc1CN[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000358149712 133124497 /nfs/dbraw/zinc/12/44/97/133124497.db2.gz GFIGZKDDYLCSBP-SNVBAGLBSA-N 0 3 317.349 2.133 20 5 DEBDHN CC1(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)COC1 ZINC000362391617 133227494 /nfs/dbraw/zinc/22/74/94/133227494.db2.gz SDQAJQGMLSDXCV-UHFFFAOYSA-N 0 3 306.362 2.475 20 5 DEBDHN CNc1ccc(C(=O)N(C)[C@H]2CCN(C(C)C)C2)cc1[N+](=O)[O-] ZINC000562970492 292020510 /nfs/dbraw/zinc/02/05/10/292020510.db2.gz GSZOYJAONCPLQJ-ZDUSSCGKSA-N 0 3 320.393 2.191 20 5 DEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC(C3CC3)CC2)c1 ZINC000368335616 133269665 /nfs/dbraw/zinc/26/96/65/133269665.db2.gz ZFJJWNJGJNCRMT-MRXNPFEDSA-N 0 3 320.389 2.457 20 5 DEBDHN O=[N+]([O-])c1ccccc1OCCN1CC[C@H]2OCCC[C@H]2C1 ZINC000246608132 145108102 /nfs/dbraw/zinc/10/81/02/145108102.db2.gz JHZAMGVWTCFFLU-DZGCQCFKSA-N 0 3 306.362 2.475 20 5 DEBDHN CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H](N2CCCC2)C1 ZINC000315935164 145361346 /nfs/dbraw/zinc/36/13/46/145361346.db2.gz RUPXRJLLCBIYHH-CQSZACIVSA-N 0 3 303.362 2.472 20 5 DEBDHN CCOC1CC(O)(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000565219323 292147858 /nfs/dbraw/zinc/14/78/58/292147858.db2.gz WLCNVJWGDHFLSM-WMEQCIOUSA-N 0 3 306.362 2.102 20 5 DEBDHN CC[C@@H]1CC[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000348365551 146261565 /nfs/dbraw/zinc/26/15/65/146261565.db2.gz BYUXACCMIKKRRG-RISCZKNCSA-N 0 3 312.391 2.147 20 5 DEBDHN CCOC[C@@H](O)CN[C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000349207890 146359028 /nfs/dbraw/zinc/35/90/28/146359028.db2.gz JAAWFOWQDUVBPW-AAEUAGOBSA-N 0 3 312.366 2.042 20 5 DEBDHN O=[N+]([O-])c1cccc(OCCN[C@H](CO)c2cccc(F)c2)c1 ZINC000359522058 147343324 /nfs/dbraw/zinc/34/33/24/147343324.db2.gz PJUUHCFELCKRMX-MRXNPFEDSA-N 0 3 320.320 2.436 20 5 DEBDHN C[C@@H](C1CC1)N(C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000073780315 401722072 /nfs/dbraw/zinc/72/20/72/401722072.db2.gz HXEJGXCJKVDOQH-NSHDSACASA-N 0 3 303.362 2.214 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)c1 ZINC000073987988 401727484 /nfs/dbraw/zinc/72/74/84/401727484.db2.gz AVRNJGFIIYJEQF-OLZOCXBDSA-N 0 3 303.362 2.212 20 5 DEBDHN CCN1CCCC[C@H]1CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000111461180 401716205 /nfs/dbraw/zinc/71/62/05/401716205.db2.gz GOQUHGJTZXVMFM-HNNXBMFYSA-N 0 3 320.393 2.268 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@@H]2CCCN(C)C2)c1 ZINC000115441203 401828287 /nfs/dbraw/zinc/82/82/87/401828287.db2.gz AFLCOKADZBBREV-GFCCVEGCSA-N 0 3 321.377 2.017 20 5 DEBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000119107307 401926181 /nfs/dbraw/zinc/92/61/81/401926181.db2.gz OAVHOHIDFASSCC-MNOVXSKESA-N 0 3 309.391 2.213 20 5 DEBDHN Cc1ccc(C(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000119551043 401958024 /nfs/dbraw/zinc/95/80/24/401958024.db2.gz ITIKPZVJACASPP-GJZGRUSLSA-N 0 3 317.389 2.460 20 5 DEBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000046954351 401976664 /nfs/dbraw/zinc/97/66/64/401976664.db2.gz HQLJFOPJHIJXTN-NWDGAFQWSA-N 0 3 320.393 2.148 20 5 DEBDHN CN(C)C1(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000097929878 402133330 /nfs/dbraw/zinc/13/33/30/402133330.db2.gz DXFIEKJULVBSFN-UHFFFAOYSA-N 0 3 311.769 2.462 20 5 DEBDHN CN(C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])[C@H]1CCCN(C)C1 ZINC000153558934 402153395 /nfs/dbraw/zinc/15/33/95/402153395.db2.gz ABHYWQJDORBCIB-OWNNVSBGSA-N 0 3 321.352 2.300 20 5 DEBDHN CN(C)[C@H]1CCCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000067044657 402151182 /nfs/dbraw/zinc/15/11/82/402151182.db2.gz XADQMOVUWIEFIN-OWNNVSBGSA-N 0 3 321.352 2.300 20 5 DEBDHN CN(C)[C@@H]1CCCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000068340630 402194650 /nfs/dbraw/zinc/19/46/50/402194650.db2.gz MWJOGVCCRVYESI-GFCCVEGCSA-N 0 3 316.361 2.242 20 5 DEBDHN C[C@@H](CC[S@](C)=O)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000125475377 402234715 /nfs/dbraw/zinc/23/47/15/402234715.db2.gz JGZOFGHLNHVCMF-ZRNGKTOUSA-N 0 3 304.799 2.495 20 5 DEBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCN(C)C2)c1 ZINC000108345849 402250554 /nfs/dbraw/zinc/25/05/54/402250554.db2.gz OCZYLHBVIPJQHU-LLVKDONJSA-N 0 3 323.418 2.388 20 5 DEBDHN CN1CCC[C@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000108344091 402250822 /nfs/dbraw/zinc/25/08/22/402250822.db2.gz ULAUJUGWCSPMOM-SNVBAGLBSA-N 0 3 311.769 2.320 20 5 DEBDHN CN1CCC(NCc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000237109688 402395529 /nfs/dbraw/zinc/39/55/29/402395529.db2.gz FMADJOUOMYZPDR-UHFFFAOYSA-N 0 3 315.320 2.380 20 5 DEBDHN COc1ccc(-c2ccc(CN[C@H](C)CO)o2)c([N+](=O)[O-])c1 ZINC000237288725 402402136 /nfs/dbraw/zinc/40/21/36/402402136.db2.gz IIRAJUFUBPQVSN-SNVBAGLBSA-N 0 3 306.318 2.334 20 5 DEBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CCN(C)C ZINC000177679466 402425944 /nfs/dbraw/zinc/42/59/44/402425944.db2.gz JSVILCBJTHEKOQ-LLVKDONJSA-N 0 3 311.407 2.095 20 5 DEBDHN Cc1c(Br)c(NC[C@@H](C)N(C)C)ncc1[N+](=O)[O-] ZINC000165731082 402478501 /nfs/dbraw/zinc/47/85/01/402478501.db2.gz CJMYYUWZTYJFAP-SSDOTTSWSA-N 0 3 317.187 2.423 20 5 DEBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000178519617 402506799 /nfs/dbraw/zinc/50/67/99/402506799.db2.gz PPEHKCNYBZSSBR-ZYHUDNBSSA-N 0 3 309.391 2.213 20 5 DEBDHN CC[C@H](NCCN1CCOC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000247047878 402554699 /nfs/dbraw/zinc/55/46/99/402554699.db2.gz OPJJNHODCCFCHX-CJNGLKHVSA-N 0 3 307.394 2.356 20 5 DEBDHN O=[N+]([O-])c1cccc(-c2ccc(CNC[C@]3(O)CCOC3)o2)c1 ZINC000179026256 402565635 /nfs/dbraw/zinc/56/56/35/402565635.db2.gz VCCAHJTYYHANDR-MRXNPFEDSA-N 0 3 318.329 2.096 20 5 DEBDHN CCN(CCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C1CC1 ZINC000171251025 402571023 /nfs/dbraw/zinc/57/10/23/402571023.db2.gz LPNQHBLLGPAZCI-UHFFFAOYSA-N 0 3 322.365 2.209 20 5 DEBDHN C[C@@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])N(C)C1CC1 ZINC000171698281 402611491 /nfs/dbraw/zinc/61/14/91/402611491.db2.gz RJWYPLHTPWEWPW-LBPRGKRZSA-N 0 3 320.393 2.219 20 5 DEBDHN CCN1CCC[C@@H]1CNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000191279183 402656897 /nfs/dbraw/zinc/65/68/97/402656897.db2.gz IGJCGEMABDGQJA-CYBMUJFWSA-N 0 3 321.377 2.126 20 5 DEBDHN CCN1CCC[C@H]1CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000255081421 402678165 /nfs/dbraw/zinc/67/81/65/402678165.db2.gz PNRSFJGTPXUFPZ-XMELGKRDSA-N 0 3 303.362 2.209 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000278071027 402852850 /nfs/dbraw/zinc/85/28/50/402852850.db2.gz VXDZTSHGIIJYAS-OAHLLOKOSA-N 0 3 323.418 2.070 20 5 DEBDHN CN(C)[C@H]1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000278425286 402866129 /nfs/dbraw/zinc/86/61/29/402866129.db2.gz PBAXIUVPNYCCFQ-QMMMGPOBSA-N 0 3 304.272 2.149 20 5 DEBDHN C[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC12CCC2 ZINC000271399682 402866817 /nfs/dbraw/zinc/86/68/17/402866817.db2.gz WSSBNPNSXSMHHR-CYBMUJFWSA-N 0 3 305.378 2.269 20 5 DEBDHN CC[C@H](NC[C@@H](O)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000271442538 402871343 /nfs/dbraw/zinc/87/13/43/402871343.db2.gz DOBKUCOAOWYOJO-JKSUJKDBSA-N 0 3 308.378 2.423 20 5 DEBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC1CCN(C)CC1 ZINC000278797519 402872636 /nfs/dbraw/zinc/87/26/36/402872636.db2.gz XTNUVUUXEQUTAP-UHFFFAOYSA-N 0 3 307.350 2.196 20 5 DEBDHN COCCCN1CCC(Nc2nccc(C)c2[N+](=O)[O-])CC1 ZINC000265175399 402898250 /nfs/dbraw/zinc/89/82/50/402898250.db2.gz HYSSIWUFJCAZKJ-UHFFFAOYSA-N 0 3 308.382 2.211 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000267165775 403021363 /nfs/dbraw/zinc/02/13/63/403021363.db2.gz ZUSXQYLXSQQLKI-HNNXBMFYSA-N 0 3 323.418 2.070 20 5 DEBDHN CN(CCN(C)C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000274404461 403051957 /nfs/dbraw/zinc/05/19/57/403051957.db2.gz BPOXOFGBKIIEOZ-UHFFFAOYSA-N 0 3 310.329 2.292 20 5 DEBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000268152073 403054909 /nfs/dbraw/zinc/05/49/09/403054909.db2.gz XAFIYPJLCMZACD-IINYFYTJSA-N 0 3 304.350 2.199 20 5 DEBDHN C[C@H]1CN(C2CC2)C[C@H]1Nc1nc2sccn2c1[N+](=O)[O-] ZINC000268165489 403056546 /nfs/dbraw/zinc/05/65/46/403056546.db2.gz PODZDIFKZPONQD-WCBMZHEXSA-N 0 3 307.379 2.199 20 5 DEBDHN COc1cccc(NC[C@@]2(N(C)C)CCSC2)c1[N+](=O)[O-] ZINC000274684473 403078432 /nfs/dbraw/zinc/07/84/32/403078432.db2.gz JKWHJDKJXBUFSU-AWEZNQCLSA-N 0 3 311.407 2.453 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CCC[C@H]1C ZINC000281878897 403100810 /nfs/dbraw/zinc/10/08/10/403100810.db2.gz AFLQCDYZPLFRTO-PWSUYJOCSA-N 0 3 307.350 2.320 20 5 DEBDHN C[C@H]1[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCCN1C ZINC000345329991 403288585 /nfs/dbraw/zinc/28/85/85/403288585.db2.gz WITROBAGOCBCDT-CMPLNLGQSA-N 0 3 316.361 2.289 20 5 DEBDHN CCC[C@@]1(NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCOC1 ZINC000285551882 403324548 /nfs/dbraw/zinc/32/45/48/403324548.db2.gz MJDYZRUGYYPBAA-MRXNPFEDSA-N 0 3 321.377 2.391 20 5 DEBDHN CN(C[C@H]1CCN(C)C1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000331688980 403452606 /nfs/dbraw/zinc/45/26/06/403452606.db2.gz WJCOCJBIIDAKOW-NSHDSACASA-N 0 3 316.361 2.100 20 5 DEBDHN Cc1c(CN2CC[C@H](C(=O)N3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000287246137 403559033 /nfs/dbraw/zinc/55/90/33/403559033.db2.gz GOROXORQMWQYQB-HNNXBMFYSA-N 0 3 317.389 2.348 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)c1 ZINC000246733167 292282022 /nfs/dbraw/zinc/28/20/22/292282022.db2.gz HUCHPMHXAMPBDN-TZMCWYRMSA-N 0 3 305.378 2.315 20 5 DEBDHN CN(C)CC1(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCC1 ZINC000343808537 403742017 /nfs/dbraw/zinc/74/20/17/403742017.db2.gz BQIWFMARXIMLBP-UHFFFAOYSA-N 0 3 316.361 2.290 20 5 DEBDHN C[C@H](NC(=O)N[C@@H]1CCN(C)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000341074643 403761493 /nfs/dbraw/zinc/76/14/93/403761493.db2.gz ZEPCXIPANJMDCE-SGMGOOAPSA-N 0 3 320.393 2.438 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C3CC3)C[C@H](C)C2)c1 ZINC000295275212 403825324 /nfs/dbraw/zinc/82/53/24/403825324.db2.gz HFZIDRXEGXAHMA-ZDUSSCGKSA-N 0 3 317.389 2.460 20 5 DEBDHN CC(=O)NCC[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000347677439 403802396 /nfs/dbraw/zinc/80/23/96/403802396.db2.gz MQZYXEUXSZSQGP-AWEZNQCLSA-N 0 3 305.378 2.333 20 5 DEBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C)NC1CC1 ZINC000295505011 403961623 /nfs/dbraw/zinc/96/16/23/403961623.db2.gz UISOGFKAHOFMNC-GFCCVEGCSA-N 0 3 305.378 2.472 20 5 DEBDHN CCOC(=O)C1(CNCc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000351947644 404027427 /nfs/dbraw/zinc/02/74/27/404027427.db2.gz UJOQVLMAGBDLLH-UHFFFAOYSA-N 0 3 308.334 2.036 20 5 DEBDHN COC(=O)[C@]1(C)CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000337471449 404046584 /nfs/dbraw/zinc/04/65/84/404046584.db2.gz WDEGBWFUWUQQEL-MLGOLLRUSA-N 0 3 322.361 2.105 20 5 DEBDHN CCN(Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)CC1CC1 ZINC000354928662 404106681 /nfs/dbraw/zinc/10/66/81/404106681.db2.gz UNUUAEHAGZUVLM-UHFFFAOYSA-N 0 3 322.361 2.379 20 5 DEBDHN COc1cc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])cc1[O-] ZINC000337786031 404240215 /nfs/dbraw/zinc/24/02/15/404240215.db2.gz BJXJMEMJUQWHOA-STQMWFEESA-N 0 3 321.377 2.025 20 5 DEBDHN COc1cc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)c([N+](=O)[O-])cc1[O-] ZINC000337786031 404240221 /nfs/dbraw/zinc/24/02/21/404240221.db2.gz BJXJMEMJUQWHOA-STQMWFEESA-N 0 3 321.377 2.025 20 5 DEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@@H]1CCCS(=O)(=O)C1 ZINC000344797541 404373741 /nfs/dbraw/zinc/37/37/41/404373741.db2.gz WUUIJIAKWPRMPM-ICDLMJIXSA-N 0 3 324.402 2.165 20 5 DEBDHN COC(=O)C(C)(C)CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000338539332 404388799 /nfs/dbraw/zinc/38/87/99/404388799.db2.gz FSUQDDDMYRFNOI-UHFFFAOYSA-N 0 3 324.381 2.018 20 5 DEBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@H]2COCCO2)o1 ZINC000338716230 404495696 /nfs/dbraw/zinc/49/56/96/404495696.db2.gz OKQWBLRATXYMKK-ZDUSSCGKSA-N 0 3 318.329 2.360 20 5 DEBDHN Cc1c([C@@H](C)N[C@@H]2CCCN(CCCO)C2)cccc1[N+](=O)[O-] ZINC000297267861 404525973 /nfs/dbraw/zinc/52/59/73/404525973.db2.gz KMIWPXHHLKZCDZ-HUUCEWRRSA-N 0 3 321.421 2.401 20 5 DEBDHN CN(C)Cc1cnc(CNCCc2cccc([N+](=O)[O-])c2)s1 ZINC000352758147 404598933 /nfs/dbraw/zinc/59/89/33/404598933.db2.gz GHOAHINKQLLKGM-UHFFFAOYSA-N 0 3 320.418 2.445 20 5 DEBDHN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000374075712 404686913 /nfs/dbraw/zinc/68/69/13/404686913.db2.gz WDEHFTLXGXSODM-BHPKHCPMSA-N 0 3 322.409 2.090 20 5 DEBDHN CCN1C[C@@H](C)N(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000330589967 404695193 /nfs/dbraw/zinc/69/51/93/404695193.db2.gz URQBILBJFIUIGZ-NWDGAFQWSA-N 0 3 320.393 2.393 20 5 DEBDHN CCO[C@@H]1COCC[C@@H]1NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000353153050 404756222 /nfs/dbraw/zinc/75/62/22/404756222.db2.gz PZQGHQCBVMLWPM-VKDHPCIHSA-N 0 3 306.362 2.392 20 5 DEBDHN O=[N+]([O-])c1cc(Cl)ccc1CN[C@H](CO)C1CCOCC1 ZINC000359876888 404807892 /nfs/dbraw/zinc/80/78/92/404807892.db2.gz PNZQHMVCTLFEGU-CYBMUJFWSA-N 0 3 314.769 2.125 20 5 DEBDHN C[C@@H]1CN(C)C[C@@H]1c1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000361007974 404877092 /nfs/dbraw/zinc/87/70/92/404877092.db2.gz CMSZMVZUTXXOBA-PWSUYJOCSA-N 0 3 302.334 2.234 20 5 DEBDHN COc1ccc(CNC[C@@H]2COC3(CCCC3)O2)cc1[N+](=O)[O-] ZINC000378401921 404953957 /nfs/dbraw/zinc/95/39/57/404953957.db2.gz KZSPLBLCMNMCAF-CYBMUJFWSA-N 0 3 322.361 2.379 20 5 DEBDHN CCOc1ccc(C(=O)N(C)CCN(C)C2CC2)cc1[N+](=O)[O-] ZINC000354081297 405034881 /nfs/dbraw/zinc/03/48/81/405034881.db2.gz CRJFBMYQCWBOHT-UHFFFAOYSA-N 0 3 321.377 2.160 20 5 DEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC(CF)CC2)c1 ZINC000451381009 404974692 /nfs/dbraw/zinc/97/46/92/404974692.db2.gz CXDYVKATVZCVNX-CQSZACIVSA-N 0 3 312.341 2.016 20 5 DEBDHN CC(C)CN1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000439074762 405264814 /nfs/dbraw/zinc/26/48/14/405264814.db2.gz BSRISZOXHQXBFN-LBPRGKRZSA-N 0 3 308.382 2.163 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)C1(OC)CCOCC1 ZINC000453107160 405284439 /nfs/dbraw/zinc/28/44/39/405284439.db2.gz KEZSHVCOEYDXPX-LBPRGKRZSA-N 0 3 324.377 2.277 20 5 DEBDHN COC(=O)c1cccc(OCCN2CCCCC2)c1[N+](=O)[O-] ZINC000419113247 405225024 /nfs/dbraw/zinc/22/50/24/405225024.db2.gz LEWVQEOFOZLMJL-UHFFFAOYSA-N 0 3 308.334 2.246 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]1CCOC[C@H]1OC ZINC000449458600 405570920 /nfs/dbraw/zinc/57/09/20/405570920.db2.gz PFVIOCUGJJRJBQ-BLLLJJGKSA-N 0 3 324.377 2.135 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000449516639 405593549 /nfs/dbraw/zinc/59/35/49/405593549.db2.gz GZSJJGAMIUMHSZ-SWLSCSKDSA-N 0 3 305.378 2.129 20 5 DEBDHN CC[C@@H](NCc1cc(OC)c(OC)cc1[N+](=O)[O-])[C@@H](O)CC ZINC000449638324 405652112 /nfs/dbraw/zinc/65/21/12/405652112.db2.gz KDRGMQDONGFOPR-YPMHNXCESA-N 0 3 312.366 2.251 20 5 DEBDHN Cc1c([C@H]2OCC[C@@H]2NCc2ccc([N+](=O)[O-])cc2)cnn1C ZINC000431684705 405661241 /nfs/dbraw/zinc/66/12/41/405661241.db2.gz GSYVQQYFFZEAEX-JKSUJKDBSA-N 0 3 316.361 2.257 20 5 DEBDHN C[C@H](N[C@]1(C)CCO[C@@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000494231538 405666128 /nfs/dbraw/zinc/66/61/28/405666128.db2.gz SQZQRBTUBMCZMY-FIXISWKDSA-N 0 3 307.350 2.079 20 5 DEBDHN C[C@H](N[C@@]1(C)CCO[C@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000494231539 405666904 /nfs/dbraw/zinc/66/69/04/405666904.db2.gz SQZQRBTUBMCZMY-PGUXBMHVSA-N 0 3 307.350 2.079 20 5 DEBDHN COC(=O)CC1(NCCOc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000459383408 405880679 /nfs/dbraw/zinc/88/06/79/405880679.db2.gz BPOBVOIBSLDAHX-UHFFFAOYSA-N 0 3 308.334 2.049 20 5 DEBDHN COC(=O)COc1ccc(CN2C[C@H](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000475723927 406147689 /nfs/dbraw/zinc/14/76/89/406147689.db2.gz HDKZLMCMWZNMGS-NEPJUHHUSA-N 0 3 322.361 2.377 20 5 DEBDHN CN1CC[C@H](C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000536552281 406264470 /nfs/dbraw/zinc/26/44/70/406264470.db2.gz PZLWZRDDHPGMPJ-SWLSCSKDSA-N 0 3 321.402 2.121 20 5 DEBDHN CC(C)O[C@@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000570798199 406441073 /nfs/dbraw/zinc/44/10/73/406441073.db2.gz UBSNUZDGCULMCC-OAHLLOKOSA-N 0 3 321.377 2.423 20 5 DEBDHN CN(C)[C@@H]1CCCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000491577485 406628272 /nfs/dbraw/zinc/62/82/72/406628272.db2.gz XADQMOVUWIEFIN-IQCBXXCUSA-N 0 3 321.352 2.300 20 5 DEBDHN CCCCN(C)CCNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000491860194 406751383 /nfs/dbraw/zinc/75/13/83/406751383.db2.gz AMPHKMKSVJBPSS-KTKRTIGZSA-N 0 3 305.378 2.456 20 5 DEBDHN CN(C(=O)/C=C\c1cccc([N+](=O)[O-])c1)[C@@H]1CN2CCC1CC2 ZINC000491797850 406725151 /nfs/dbraw/zinc/72/51/51/406725151.db2.gz QDWHCXQZFMKGBZ-OGZRUICASA-N 0 3 315.373 2.161 20 5 DEBDHN CN(C(=O)/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CN2CCC1CC2 ZINC000491799588 406726425 /nfs/dbraw/zinc/72/64/25/406726425.db2.gz VCLJRUUVAKUFBB-MWWKQMNYSA-N 0 3 315.373 2.161 20 5 DEBDHN COc1cccc(NC2CCN([C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000363701422 269071696 /nfs/dbraw/zinc/07/16/96/269071696.db2.gz MWZFUUSQVUFCDG-ZDUSSCGKSA-N 0 3 321.377 2.269 20 5 DEBDHN CN1CCC(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000429925638 269122025 /nfs/dbraw/zinc/12/20/25/269122025.db2.gz OTTKBMAPOXASIW-UHFFFAOYSA-N 0 3 305.378 2.083 20 5 DEBDHN C[C@H](C(=O)N1CC[C@H]2CCN(C)C[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000517065160 269376145 /nfs/dbraw/zinc/37/61/45/269376145.db2.gz PLDNFFJMTLHHBS-WOSRLPQWSA-N 0 3 317.389 2.251 20 5 DEBDHN C[C@@H](CNc1c(C(N)=O)cccc1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000420590491 274226525 /nfs/dbraw/zinc/22/65/25/274226525.db2.gz VMMYMYSGQLSUBH-NEPJUHHUSA-N 0 3 320.393 2.226 20 5 DEBDHN C[C@H](N[C@]1(C)CCO[C@@H]1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000494230014 274531640 /nfs/dbraw/zinc/53/16/40/274531640.db2.gz HBNGGAVJJKWTIL-FIXISWKDSA-N 0 3 307.350 2.079 20 5 DEBDHN Cc1c(CC(=O)N[C@@H](C)CN2CCCCC2)cccc1[N+](=O)[O-] ZINC000161432595 274660825 /nfs/dbraw/zinc/66/08/25/274660825.db2.gz MHPOOMSHDSIDAJ-ZDUSSCGKSA-N 0 3 319.405 2.436 20 5 DEBDHN CN(C)C(=O)CCN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279122548 276750977 /nfs/dbraw/zinc/75/09/77/276750977.db2.gz QEJQRWJKRUFUEK-CQSZACIVSA-N 0 3 305.378 2.385 20 5 DEBDHN CN1CC[C@H]2[C@@H](CCCN2c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000269099490 277182088 /nfs/dbraw/zinc/18/20/88/277182088.db2.gz QJGNQHKSXTUZTC-QWRGUYRKSA-N 0 3 321.406 2.225 20 5 DEBDHN C[C@@H](NCC1(CS(C)(=O)=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000090183657 278340568 /nfs/dbraw/zinc/34/05/68/278340568.db2.gz CQVSNULJORVPSW-LLVKDONJSA-N 0 3 312.391 2.070 20 5 DEBDHN O=C(/C=C\c1cccc([N+](=O)[O-])c1)NCCN1CCCCC1 ZINC000491166462 295406506 /nfs/dbraw/zinc/40/65/06/295406506.db2.gz FAITZMGGFKNVOR-FPLPWBNLSA-N 0 3 303.362 2.210 20 5 DEBDHN CN1CC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3C(F)(F)F)C[C@@H]21 ZINC000573457170 326059860 /nfs/dbraw/zinc/05/98/60/326059860.db2.gz MGGWPWWPKZQLJJ-KCJUWKMLSA-N 0 3 316.283 2.149 20 5 DEBDHN O=C([C@@H]1CNCc2ccccc21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000575124220 326221000 /nfs/dbraw/zinc/22/10/00/326221000.db2.gz WBGVXHISBNXUPP-MRXNPFEDSA-N 0 3 323.352 2.371 20 5 DEBDHN CCO[C@@H]1C[C@H]1N[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000583242979 337285530 /nfs/dbraw/zinc/28/55/30/337285530.db2.gz YQBIPVVBYLDWCF-ZLKJLUDKSA-N 0 3 307.350 2.079 20 5 DEBDHN C[C@@H](CNC(=O)N1C[C@@H](C)NC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC001357687213 1152325548 /nfs/dbraw/zinc/32/55/48/1152325548.db2.gz HINRJRIGNVQWAZ-YNEHKIRRSA-N 0 3 320.393 2.090 20 5 DEBDHN Cc1cc(F)c(NC(=O)N2CC[C@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000296652494 533811742 /nfs/dbraw/zinc/81/17/42/533811742.db2.gz FOUZNJWSLBTDOQ-JTQLQIEISA-N 0 3 310.329 2.210 20 5 DEBDHN Cc1nc(N(C)CCCN(C)Cc2ccco2)ncc1[N+](=O)[O-] ZINC000295717513 534438385 /nfs/dbraw/zinc/43/83/85/534438385.db2.gz SURYATCUBZHAIM-UHFFFAOYSA-N 0 3 319.365 2.245 20 5 DEBDHN CCOCC(C)(C)NCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000339371813 521670357 /nfs/dbraw/zinc/67/03/57/521670357.db2.gz MRBDESKFPKVPKD-UHFFFAOYSA-N 0 3 309.366 2.246 20 5 DEBDHN COC(=O)COc1ccc(CNC2(C(C)C)CC2)cc1[N+](=O)[O-] ZINC000339508976 523223801 /nfs/dbraw/zinc/22/38/01/523223801.db2.gz WJZTZAIPYDXTCH-UHFFFAOYSA-N 0 3 322.361 2.425 20 5 DEBDHN C[C@H]1CCCN1C(=O)CCN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000338362142 524113153 /nfs/dbraw/zinc/11/31/53/524113153.db2.gz UCPVCDPEXVXUED-AWEZNQCLSA-N 0 3 319.405 2.470 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)CCn1cccn1 ZINC000158821504 525460360 /nfs/dbraw/zinc/46/03/60/525460360.db2.gz XNNUGHSVWZEBJM-LBPRGKRZSA-N 0 3 304.350 2.368 20 5 DEBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1ccn(C)c1 ZINC000158508445 526248871 /nfs/dbraw/zinc/24/88/71/526248871.db2.gz SYWHHVPPEKAXEV-GFCCVEGCSA-N 0 3 316.361 2.440 20 5 DEBDHN NC(=O)[C@@H]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000157158285 526973076 /nfs/dbraw/zinc/97/30/76/526973076.db2.gz JNEWSXJRJLPMOY-GFCCVEGCSA-N 0 3 315.329 2.162 20 5 DEBDHN CC(C)(CNCc1ccccc1[N+](=O)[O-])C1(O)CCOCC1 ZINC000418126334 527171149 /nfs/dbraw/zinc/17/11/49/527171149.db2.gz LMWBBKDBKSSIPJ-UHFFFAOYSA-N 0 3 308.378 2.252 20 5 DEBDHN O=[N+]([O-])c1ccn(C2CCN(CCc3ccccn3)CC2)n1 ZINC000365126932 527406768 /nfs/dbraw/zinc/40/67/68/527406768.db2.gz UKYQHFGWOBKZAZ-UHFFFAOYSA-N 0 3 301.350 2.066 20 5 DEBDHN CCN1C[C@H](C)N(CCOc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000330831766 527972288 /nfs/dbraw/zinc/97/22/88/527972288.db2.gz JYGLSJWUJAIEQM-KBPBESRZSA-N 0 3 307.394 2.388 20 5 DEBDHN CCOc1cc(N[C@@H]2CCCN(CCCO)C2)ccc1[N+](=O)[O-] ZINC000450607119 535686525 /nfs/dbraw/zinc/68/65/25/535686525.db2.gz BABHCWWFMOJQQN-CQSZACIVSA-N 0 3 323.393 2.252 20 5 DEBDHN CN(C)C[C@H]1CCCN1C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000492164479 535957056 /nfs/dbraw/zinc/95/70/56/535957056.db2.gz RDYCYMXWLFOLFG-IZPAUZPXSA-N 0 3 321.352 2.300 20 5 DEBDHN COc1c([O-])ccc(C[NH2+]C[C@@H]2CCO[C@H](C)C2)c1[N+](=O)[O-] ZINC000893293690 625408310 /nfs/dbraw/zinc/40/83/10/625408310.db2.gz ASDAIXFRELEWLA-GHMZBOCLSA-N 0 3 310.350 2.214 20 5 DEBDHN CC(C)(C)C(=O)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001020963081 623215065 /nfs/dbraw/zinc/21/50/65/623215065.db2.gz YULCAPHZKJIUQR-JOCQHMNTSA-N 0 3 305.378 2.378 20 5 DEBDHN CC(C)C[C@H]1CN(C)CCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000933251163 624127167 /nfs/dbraw/zinc/12/71/67/624127167.db2.gz HEXZEIGYPITZQF-DLBZAZTESA-N 0 3 321.421 2.290 20 5 DEBDHN C[C@@]1(NCCn2cc([N+](=O)[O-])cn2)CCOc2ccccc21 ZINC000933368927 624191039 /nfs/dbraw/zinc/19/10/39/624191039.db2.gz NCUVFSPROSKENO-OAHLLOKOSA-N 0 3 302.334 2.079 20 5 DEBDHN COc1c(O)ccc(CN[C@@H]2C[C@@H](OC)C2(C)C)c1[N+](=O)[O-] ZINC000893096133 625107586 /nfs/dbraw/zinc/10/75/86/625107586.db2.gz CQDUPZQRQNTSNI-VXGBXAGGSA-N 0 3 310.350 2.212 20 5 DEBDHN COc1c([O-])ccc(C[NH2+][C@@H]2C[C@@H](OC)C2(C)C)c1[N+](=O)[O-] ZINC000893096133 625107587 /nfs/dbraw/zinc/10/75/87/625107587.db2.gz CQDUPZQRQNTSNI-VXGBXAGGSA-N 0 3 310.350 2.212 20 5 DEBDHN CCOC[C@@H](NCc1ccc(O)c(OC)c1[N+](=O)[O-])C(C)C ZINC000893963254 636072748 /nfs/dbraw/zinc/07/27/48/636072748.db2.gz CKTACLOBDJXSRQ-GFCCVEGCSA-N 0 3 312.366 2.460 20 5 DEBDHN CCOC[C@@H]([NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-])C(C)C ZINC000893963254 636072750 /nfs/dbraw/zinc/07/27/50/636072750.db2.gz CKTACLOBDJXSRQ-GFCCVEGCSA-N 0 3 312.366 2.460 20 5 DEBDHN COc1c([O-])ccc(C[NH2+]C[C@@H]2CCOC2(C)C)c1[N+](=O)[O-] ZINC000895456572 638031977 /nfs/dbraw/zinc/03/19/77/638031977.db2.gz PICHXTRRRXRAAX-NSHDSACASA-N 0 3 310.350 2.214 20 5 DEBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2C[C@@H]3C[C@]3(O)C2)o1 ZINC000895650986 638126131 /nfs/dbraw/zinc/12/61/31/638126131.db2.gz XXUXIGLTGZOGLP-ZBEGNZNMSA-N 0 3 300.314 2.421 20 5 DEBDHN C[C@@H]1[C@H](Nc2c3cc(F)ccc3ncc2[N+](=O)[O-])CCN1C ZINC000895736050 638178206 /nfs/dbraw/zinc/17/82/06/638178206.db2.gz ZYVVLZUJHVMANX-BXKDBHETSA-N 0 3 304.325 2.209 20 5 DEBDHN COc1c(O)ccc(CNC[C@H]2CC3(CCC3)CO2)c1[N+](=O)[O-] ZINC000896052272 638334230 /nfs/dbraw/zinc/33/42/30/638334230.db2.gz SALLABTWUNBKHS-GFCCVEGCSA-N 0 3 322.361 2.358 20 5 DEBDHN CCO[C@H](CNc1cc([N+](=O)[O-])ccc1C(C)=O)CN(C)C ZINC000896111928 638358714 /nfs/dbraw/zinc/35/87/14/638358714.db2.gz IZVVNIVWCVYMTO-CYBMUJFWSA-N 0 3 309.366 2.176 20 5 DEBDHN CN1CC[C@@H]1CNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000896594878 638602075 /nfs/dbraw/zinc/60/20/75/638602075.db2.gz DSBJKJNTJKPQQD-SSDOTTSWSA-N 0 3 320.212 2.213 20 5 DEBDHN C[C@H](CNC(=O)N[C@@H]1CCN(C)[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000896622989 638611194 /nfs/dbraw/zinc/61/11/94/638611194.db2.gz XUCQWGKQCZVSJE-MBNYWOFBSA-N 0 3 320.393 2.090 20 5 DEBDHN C[C@H]1CN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1C ZINC000751932243 639136952 /nfs/dbraw/zinc/13/69/52/639136952.db2.gz ZGDPQYAJMZMOFR-TXEJJXNPSA-N 0 3 301.350 2.399 20 5 DEBDHN Cc1nn(CN2CCC[C@H]2C[C@H](C)O)c2ccc([N+](=O)[O-])cc12 ZINC000752812864 639222516 /nfs/dbraw/zinc/22/25/16/639222516.db2.gz OGNDLOKCKCVGDG-AAEUAGOBSA-N 0 3 318.377 2.446 20 5 DEBDHN COCCN1CC[C@H](N[C@@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872035882 639889120 /nfs/dbraw/zinc/88/91/20/639889120.db2.gz OIHORCUQCGGJOD-RYUDHWBXSA-N 0 3 311.357 2.105 20 5 DEBDHN C[C@H](CCNCc1ccc([N+](=O)[O-])c(Cl)c1)[S@](C)=O ZINC000761533498 640322230 /nfs/dbraw/zinc/32/22/30/640322230.db2.gz RAFJTBSXGHEPJK-HOGDKLEQSA-N 0 3 304.799 2.495 20 5 DEBDHN C[C@@H](CCNCc1ccc([N+](=O)[O-])c(Cl)c1)[S@](C)=O ZINC000761533499 640322319 /nfs/dbraw/zinc/32/23/19/640322319.db2.gz RAFJTBSXGHEPJK-UGZDLDLSSA-N 0 3 304.799 2.495 20 5 DEBDHN Cc1nn(CN(C)C[C@H]2CCOC2)c2ccc([N+](=O)[O-])cc12 ZINC000765057631 640731421 /nfs/dbraw/zinc/73/14/21/640731421.db2.gz CHNNFTFRMXAJOZ-GFCCVEGCSA-N 0 3 304.350 2.179 20 5 DEBDHN Cc1cc(C)c(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)c(=O)[nH]1 ZINC000776275088 642152402 /nfs/dbraw/zinc/15/24/02/642152402.db2.gz JELRPXYOCYOXTE-OAHLLOKOSA-N 0 3 317.345 2.135 20 5 DEBDHN COc1cc([C@H](C)N[C@@H](C)CN2CCCC2=O)cc([N+](=O)[O-])c1 ZINC000903075777 643240463 /nfs/dbraw/zinc/24/04/63/643240463.db2.gz DIGPRAYARDJQAE-RYUDHWBXSA-N 0 3 321.377 2.265 20 5 DEBDHN COc1cc([C@H](C)NCCn2ccnc2C)cc([N+](=O)[O-])c1 ZINC000903086504 643243958 /nfs/dbraw/zinc/24/39/58/643243958.db2.gz OERCHZWZODWIOE-NSHDSACASA-N 0 3 304.350 2.459 20 5 DEBDHN COc1cc([C@H](C)NCC2([S@](C)=O)CC2)cc([N+](=O)[O-])c1 ZINC000903166704 643279888 /nfs/dbraw/zinc/27/98/88/643279888.db2.gz DDGLADITOTZVGT-CWKPULSASA-N 0 3 312.391 2.165 20 5 DEBDHN CCN(CC)C(=O)CNC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000786810427 643412563 /nfs/dbraw/zinc/41/25/63/643412563.db2.gz FZQLZSMMIATNJJ-LCYFTJDESA-N 0 3 305.378 2.456 20 5 DEBDHN O=[N+]([O-])CCN[C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC000905280963 643855980 /nfs/dbraw/zinc/85/59/80/643855980.db2.gz RQGDYQYCXPSIMV-LLVKDONJSA-N 0 3 322.315 2.009 20 5 DEBDHN COc1cc(C(=O)NCCN2CCC[C@H]2C)cc([N+](=O)[O-])c1C ZINC000792460157 644116026 /nfs/dbraw/zinc/11/60/26/644116026.db2.gz RKHCMCBSNLMSPN-LLVKDONJSA-N 0 3 321.377 2.126 20 5 DEBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@H]1CC2(CC2)C(=O)O1 ZINC000796112017 644687343 /nfs/dbraw/zinc/68/73/43/644687343.db2.gz FASIIFJCWZGPAX-CYBMUJFWSA-N 0 3 304.346 2.165 20 5 DEBDHN C[C@H](O)c1ncc(CNCCOc2ccc([N+](=O)[O-])cc2)s1 ZINC000809614807 646247713 /nfs/dbraw/zinc/24/77/13/646247713.db2.gz VGMNMOYMZQRSSE-JTQLQIEISA-N 0 3 323.374 2.273 20 5 DEBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813103467 646728437 /nfs/dbraw/zinc/72/84/37/646728437.db2.gz BMPPRLJNMXMOBU-CMPLNLGQSA-N 0 3 310.306 2.372 20 5 DEBDHN CC(COC(=O)Cc1ccc(OC(F)(F)F)cc1)[N+](=O)[O-] ZINC000813102790 646728919 /nfs/dbraw/zinc/72/89/19/646728919.db2.gz VRTBYKMQHHUVMG-MRVPVSSYSA-N 0 3 307.224 2.336 20 5 DEBDHN CC(COC(=O)Cc1ccc(Br)c(F)c1)[N+](=O)[O-] ZINC000813104313 646729264 /nfs/dbraw/zinc/72/92/64/646729264.db2.gz MHRQITBSFRUIRX-SSDOTTSWSA-N 0 3 320.114 2.339 20 5 DEBDHN COc1ccc(C(=O)CCC(=O)OCC(C)[N+](=O)[O-])cc1F ZINC000813104111 646729711 /nfs/dbraw/zinc/72/97/11/646729711.db2.gz KBRAQARPZVKGDY-VIFPVBQESA-N 0 3 313.281 2.006 20 5 DEBDHN CC(COC(=O)c1csc(-c2ncccc2F)n1)[N+](=O)[O-] ZINC000813108421 646730139 /nfs/dbraw/zinc/73/01/39/646730139.db2.gz YKMIQVZTVDMNLW-ZETCQYMHSA-N 0 3 311.294 2.166 20 5 DEBDHN CC(COC(=O)c1nn(-c2ccccc2)c2c1CCC2)[N+](=O)[O-] ZINC000813107398 646730546 /nfs/dbraw/zinc/73/05/46/646730546.db2.gz QGTDPNUINRAKAT-LLVKDONJSA-N 0 3 315.329 2.183 20 5 DEBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])c2cnn(C(C)C)c2n1 ZINC000813113146 646731487 /nfs/dbraw/zinc/73/14/87/646731487.db2.gz NZEIHQSJENQNAD-SNVBAGLBSA-N 0 3 306.322 2.143 20 5 DEBDHN CO[C@H](CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000822570204 648234201 /nfs/dbraw/zinc/23/42/01/648234201.db2.gz HQTKFHKALNISFO-MRXNPFEDSA-N 0 3 305.378 2.142 20 5 DEBDHN Cc1ccc(CNC(=O)CN2[C@H](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000825648099 648793789 /nfs/dbraw/zinc/79/37/89/648793789.db2.gz LMPYRMRMLSYKEA-BETUJISGSA-N 0 3 305.378 2.392 20 5 DEBDHN Cc1cc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])nn1C ZINC000845878716 651291670 /nfs/dbraw/zinc/29/16/70/651291670.db2.gz VQJQZFMKGIZULZ-YGRLFVJLSA-N 0 3 321.308 2.431 20 5 DEBDHN CN(C)CCN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)C1CCCC1 ZINC000112916020 651606819 /nfs/dbraw/zinc/60/68/19/651606819.db2.gz PYBNJEBNMBTGPO-UHFFFAOYSA-N 0 3 320.393 2.123 20 5 DEBDHN CCN(C(=O)c1cc(F)ccc1[N+](=O)[O-])[C@@H]1CCN(CC)C1 ZINC000855491110 651709181 /nfs/dbraw/zinc/70/91/81/651709181.db2.gz NWXOXOSIIFWADJ-GFCCVEGCSA-N 0 3 309.341 2.290 20 5 DEBDHN C/C(=C/C(=O)N1CCN[C@@H](C(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000856490088 651942129 /nfs/dbraw/zinc/94/21/29/651942129.db2.gz VVUIVVATSZQKAF-IVOILVROSA-N 0 3 317.389 2.455 20 5 DEBDHN CC(=O)c1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1OC(C)C ZINC000851037260 652050530 /nfs/dbraw/zinc/05/05/30/652050530.db2.gz UJZNFRRAEIKRTQ-JTQLQIEISA-N 0 3 309.318 2.498 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCCc2cn[nH]c21 ZINC000857853060 652186043 /nfs/dbraw/zinc/18/60/43/652186043.db2.gz KAZPZZJXQQTPJU-CYBMUJFWSA-N 0 3 302.334 2.494 20 5 DEBDHN O=[N+]([O-])c1ccc(OCCN[C@@H]2CCCc3c[nH]nc32)cc1 ZINC000857858531 652187972 /nfs/dbraw/zinc/18/79/72/652187972.db2.gz KZJKAFILDHCEHE-CQSZACIVSA-N 0 3 302.334 2.364 20 5 DEBDHN C[C@H](O)[C@@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000853134144 652507573 /nfs/dbraw/zinc/50/75/73/652507573.db2.gz JRQQGEBSILQHAO-AFAVFJNCSA-N 0 3 316.357 2.340 20 5 DEBDHN C[C@H](O)[C@@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000853135392 652508162 /nfs/dbraw/zinc/50/81/62/652508162.db2.gz WOEPJKVFQSRZPA-JCURWCKSSA-N 0 3 316.357 2.340 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000929117963 693899615 /nfs/dbraw/zinc/89/96/15/693899615.db2.gz DAZVHXAMAHRRHC-ZDUSSCGKSA-N 0 3 306.366 2.461 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1N(C)CCN1CC2(C1)CCOCC2 ZINC000866257998 687510779 /nfs/dbraw/zinc/51/07/79/687510779.db2.gz OTGASKQBPRKESV-UHFFFAOYSA-N 0 3 319.405 2.452 20 5 DEBDHN O=C(N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1)C1CCC1 ZINC001019920543 688421745 /nfs/dbraw/zinc/42/17/45/688421745.db2.gz DMOQNTJKJNAXGR-HDJSIYSDSA-N 0 3 303.362 2.132 20 5 DEBDHN CC(COC(=O)Cc1ccccc1C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000870378798 688552657 /nfs/dbraw/zinc/55/26/57/688552657.db2.gz XOXFAILLNRGGRQ-NSHDSACASA-N 0 3 323.345 2.393 20 5 DEBDHN CN1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CCC1(C)C ZINC000871155387 688737994 /nfs/dbraw/zinc/73/79/94/688737994.db2.gz PXVSHGYEKPAAJM-UHFFFAOYSA-N 0 3 309.341 2.290 20 5 DEBDHN CCN1C[C@H](CN[C@H](C)c2c(F)cccc2[N+](=O)[O-])CC1=O ZINC000872085532 688924247 /nfs/dbraw/zinc/92/42/47/688924247.db2.gz ZQZSNVBVFOGQLU-MNOVXSKESA-N 0 3 309.341 2.253 20 5 DEBDHN CONC(=O)C1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000872099205 688928321 /nfs/dbraw/zinc/92/83/21/688928321.db2.gz MOKICFLSUZGKRD-GFCCVEGCSA-N 0 3 321.377 2.354 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@H](C)N1CCCC1 ZINC000874378689 689396224 /nfs/dbraw/zinc/39/62/24/689396224.db2.gz GNBWUZILIUELEX-LBPRGKRZSA-N 0 3 305.378 2.426 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC[C@H](OCCO)C1 ZINC000876721487 689914451 /nfs/dbraw/zinc/91/44/51/689914451.db2.gz PQXLGDIOLGYRJH-AWEZNQCLSA-N 0 3 308.378 2.185 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCN(C(C)(C)CO)CC1 ZINC000876744967 689924916 /nfs/dbraw/zinc/92/49/16/689924916.db2.gz IDGKABRHMKPIIN-UHFFFAOYSA-N 0 3 321.421 2.100 20 5 DEBDHN COc1cnc(F)c(CNCCc2ccccc2[N+](=O)[O-])c1 ZINC000877065032 690011289 /nfs/dbraw/zinc/01/12/89/690011289.db2.gz XZTBXYJLFJIBPJ-UHFFFAOYSA-N 0 3 305.309 2.470 20 5 DEBDHN O=[N+]([O-])c1cnn(C2CC(NCc3ccc(Cl)cn3)C2)c1 ZINC000877136998 690027082 /nfs/dbraw/zinc/02/70/82/690027082.db2.gz QMWUFMCYDXSORH-UHFFFAOYSA-N 0 3 307.741 2.333 20 5 DEBDHN O=C(NC[C@H]1Cc2ccccc2CN1)c1ccc([N+](=O)[O-])s1 ZINC000877345930 690083529 /nfs/dbraw/zinc/08/35/29/690083529.db2.gz DELXZYLIXLBFPY-GFCCVEGCSA-N 0 3 317.370 2.101 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN(C)[C@H]1CCN2CCO[C@H]1C2 ZINC000877556434 690150616 /nfs/dbraw/zinc/15/06/16/690150616.db2.gz GKHJZLKSBFLCCF-IRXDYDNUSA-N 0 3 319.405 2.117 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000877657495 690181157 /nfs/dbraw/zinc/18/11/57/690181157.db2.gz ZVWXBWXZUYMFRA-CALCHBBNSA-N 0 3 322.405 2.024 20 5 DEBDHN O=C1NCCC12CCN(Cc1cc([N+](=O)[O-])ccc1Cl)CC2 ZINC000877783387 690226916 /nfs/dbraw/zinc/22/69/16/690226916.db2.gz RBWRHDCZNNFCDL-UHFFFAOYSA-N 0 3 323.780 2.350 20 5 DEBDHN Cn1cc(CN2CC[C@]3(CCc4ccccc43)C2)c([N+](=O)[O-])n1 ZINC000877811648 690238187 /nfs/dbraw/zinc/23/81/87/690238187.db2.gz RWRBPPRJNCJIOM-QGZVFWFLSA-N 0 3 312.373 2.418 20 5 DEBDHN CN1C[C@H]2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3Cl)[C@@H]2C1 ZINC000931297543 694360068 /nfs/dbraw/zinc/36/00/68/694360068.db2.gz KLVYWUGWYLNLCK-BXKDBHETSA-N 0 3 324.768 2.416 20 5 DEBDHN C[C@](CO)(NC[C@@H]1C[C@@H]2CCC[C@H]2O1)c1cccc([N+](=O)[O-])c1 ZINC000879273675 690607863 /nfs/dbraw/zinc/60/78/63/690607863.db2.gz XOZZDNIDFRSXNL-KKBVYLPWSA-N 0 3 320.389 2.350 20 5 DEBDHN CON(C)CCNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000883172528 691447596 /nfs/dbraw/zinc/44/75/96/691447596.db2.gz KKAJVCMGRRASQS-UHFFFAOYSA-N 0 3 305.334 2.438 20 5 DEBDHN O=[N+]([O-])c1ccccc1N1CCN(C[C@H]2C[C@@]23CCOC3)CC1 ZINC000885948884 691969368 /nfs/dbraw/zinc/96/93/68/691969368.db2.gz IPGUJXRYPPTIHG-RHSMWYFYSA-N 0 3 317.389 2.143 20 5 DEBDHN C[C@](CO)(NC[C@@H]1CC[C@@H](C2CC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000886307585 692051133 /nfs/dbraw/zinc/05/11/33/692051133.db2.gz WOFLRGCKSMXCOR-YESZJQIVSA-N 0 3 320.389 2.350 20 5 DEBDHN COC[C@H](NCc1csc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000886359493 692066223 /nfs/dbraw/zinc/06/62/23/692066223.db2.gz DDCUKZNQRBXHFC-NEPJUHHUSA-N 0 3 300.380 2.188 20 5 DEBDHN COC[C@@H](NCc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000886915340 692230038 /nfs/dbraw/zinc/23/00/38/692230038.db2.gz CMPUGGCBXMMFEP-GXTWGEPZSA-N 0 3 312.341 2.265 20 5 DEBDHN CC(C)[C@H](C(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-])N(C)C ZINC000887403258 692356110 /nfs/dbraw/zinc/35/61/10/692356110.db2.gz SHATWLFPFVHSSN-IUODEOHRSA-N 0 3 307.394 2.401 20 5 DEBDHN CC(C)C(=O)N1C[C@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC001048685805 692678802 /nfs/dbraw/zinc/67/88/02/692678802.db2.gz KHUMHDBQMIUWCD-GASCZTMLSA-N 0 3 317.389 2.141 20 5 DEBDHN O=C(OCc1csc([N+](=O)[O-])c1)C1CCCN(C2CC2)C1=O ZINC000924061767 693086275 /nfs/dbraw/zinc/08/62/75/693086275.db2.gz CBLWAUOOPISPHT-LLVKDONJSA-N 0 3 324.358 2.101 20 5 DEBDHN C[C@H]1[C@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC001332845456 1149900002 /nfs/dbraw/zinc/90/00/02/1149900002.db2.gz WINWNAKCKWGTDB-SMDDNHRTSA-N 0 3 320.393 2.222 20 5 DEBDHN CN(C)c1ncccc1CNCCOc1ccc([N+](=O)[O-])cc1 ZINC001346904048 1151031060 /nfs/dbraw/zinc/03/10/60/1151031060.db2.gz HGKQLRQTVUTQGO-UHFFFAOYSA-N 0 3 316.361 2.224 20 5 DEBDHN Cc1cc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)oc1C ZINC001125696875 777534577 /nfs/dbraw/zinc/53/45/77/777534577.db2.gz XBXNYTPXIYCGGM-UHFFFAOYSA-N 0 3 317.345 2.324 20 5 DEBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2CCN(c3ccccc3F)CC2)C1 ZINC001169026537 785019856 /nfs/dbraw/zinc/01/98/56/785019856.db2.gz MGNGSJAPEWMYIE-UONOGXRCSA-N 0 3 307.369 2.393 20 5 DEBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2CC[C@H](N3CCCCC3)[C@@H](F)C2)C1 ZINC001169051943 785022754 /nfs/dbraw/zinc/02/27/54/785022754.db2.gz DPJGTFKWUHYOOT-VGWMRTNUSA-N 0 3 313.417 2.330 20 5 DEBDHN O=C1NCc2ccc(CNc3cc4c(cc3[N+](=O)[O-])CNC4)cc21 ZINC001169767317 785359119 /nfs/dbraw/zinc/35/91/19/785359119.db2.gz YUNINMXDKMHYKF-UHFFFAOYSA-N 0 3 324.340 2.054 20 5 DEBDHN COc1ccc(C[C@H](C)N2CC[C@H](O)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001170329868 786910722 /nfs/dbraw/zinc/91/07/22/786910722.db2.gz WFMJPQLVFMNIOP-WQGACYEGSA-N 0 3 308.378 2.237 20 5 DEBDHN CN(CC(=O)NCCNc1ccccc1[N+](=O)[O-])CC(C)(C)C ZINC001094141355 792763648 /nfs/dbraw/zinc/76/36/48/792763648.db2.gz QVJONXARVHTEJM-UHFFFAOYSA-N 0 3 322.409 2.101 20 5 DEBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NCc1cn(CCF)cn1 ZINC001173225557 793641196 /nfs/dbraw/zinc/64/11/96/793641196.db2.gz RSFYRGUFSMELLE-LBPRGKRZSA-N 0 3 306.341 2.482 20 5 DEBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@]2(CNC(=O)O2)C1 ZINC001173235884 793647425 /nfs/dbraw/zinc/64/74/25/793647425.db2.gz ZYNOJDXHJFWQFM-MLGOLLRUSA-N 0 3 319.361 2.100 20 5 DEBDHN Cc1nccn1-c1ccncc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC001116281899 794948682 /nfs/dbraw/zinc/94/86/82/794948682.db2.gz WSJFGLZOZMNNNN-UHFFFAOYSA-N 0 3 324.300 2.131 20 5 DEBDHN Cc1nccn1-c1cc[nH+]cc1[N-]C(=O)c1ccc([N+](=O)[O-])cn1 ZINC001116281899 794948688 /nfs/dbraw/zinc/94/86/88/794948688.db2.gz WSJFGLZOZMNNNN-UHFFFAOYSA-N 0 3 324.300 2.131 20 5 DEBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3COC[C@@H]3O)s2)cc1 ZINC001179321127 795099656 /nfs/dbraw/zinc/09/96/56/795099656.db2.gz QKRVXQJBTUMWPI-KGLIPLIRSA-N 0 3 320.370 2.173 20 5 DEBDHN CCOc1ncccc1CNC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC001119242215 795277349 /nfs/dbraw/zinc/27/73/49/795277349.db2.gz WJAQWPOSSSGPAT-UHFFFAOYSA-N 0 3 317.349 2.078 20 5 DEBDHN Cc1nn(CN2CCN(C)C(C)(C)C2)c2ccc([N+](=O)[O-])cc12 ZINC001119332609 795289907 /nfs/dbraw/zinc/28/99/07/795289907.db2.gz VYBVWNBWINHXLQ-UHFFFAOYSA-N 0 3 317.393 2.236 20 5 DEBDHN COc1nc(N[C@@H]2CNCc3ccsc32)ccc1[N+](=O)[O-] ZINC001155559736 797789990 /nfs/dbraw/zinc/78/99/90/797789990.db2.gz QKIVHGXBSWBNLL-SECBINFHSA-N 0 3 306.347 2.316 20 5 DEBDHN Cc1cc(CN)nn1-c1cc2ncnc(Cl)c2cc1[N+](=O)[O-] ZINC001156039948 797911610 /nfs/dbraw/zinc/91/16/10/797911610.db2.gz ZWARGIVOSGRAOF-UHFFFAOYSA-N 0 3 318.724 2.144 20 5 DEBDHN Cc1nc(-n2cncc2CNCc2ccccc2)ncc1[N+](=O)[O-] ZINC001156509214 798019566 /nfs/dbraw/zinc/01/95/66/798019566.db2.gz QPFTZKCUOWPNCU-UHFFFAOYSA-N 0 3 324.344 2.169 20 5 DEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](C(=O)N(C)C)C1 ZINC001198147228 798289398 /nfs/dbraw/zinc/28/93/98/798289398.db2.gz NGRBKFOGQVBWRV-CHWSQXEVSA-N 0 3 305.378 2.456 20 5 DEBDHN Cc1nc(Cl)nc(N[C@H]2CCN(C3CCC3)C2)c1[N+](=O)[O-] ZINC001161175174 798805778 /nfs/dbraw/zinc/80/57/78/798805778.db2.gz DAAJMTBFOVMNIX-VIFPVBQESA-N 0 3 311.773 2.385 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(-n2c3ccccc3nc2[C@@H](C)N)n1 ZINC001162760213 799168195 /nfs/dbraw/zinc/16/81/95/799168195.db2.gz MFIRLGCIGYEGEJ-SECBINFHSA-N 0 3 313.317 2.357 20 5 DEBDHN COc1cc(-n2c3ccccc3nc2[C@H](C)N)cnc1[N+](=O)[O-] ZINC001162777826 799170708 /nfs/dbraw/zinc/17/07/08/799170708.db2.gz VSFGJRMPMISLGW-VIFPVBQESA-N 0 3 313.317 2.357 20 5 DEBDHN CC1(C)[C@H]2[C@@H]1CN[C@@H]2c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001204914820 800273864 /nfs/dbraw/zinc/27/38/64/800273864.db2.gz GSYSBMARIIXLQX-ARENWVFISA-N 0 3 319.296 2.095 20 5 DEBDHN O=[N+]([O-])c1ccccc1-c1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001216490306 801981108 /nfs/dbraw/zinc/98/11/08/801981108.db2.gz PIZWODIHASIIFO-UHFFFAOYSA-N 0 3 323.312 2.353 20 5 DEBDHN Cc1cc2nc(O[C@@H]3C[NH2+]CCC[C@H]3F)[n-]c2cc1[N+](=O)[O-] ZINC001217980894 802127158 /nfs/dbraw/zinc/12/71/58/802127158.db2.gz NEMYHTGTWZZWRD-NOZJJQNGSA-N 0 3 308.313 2.248 20 5 DEBDHN Cc1cc2[n-]c(O[C@@H]3C[NH2+]CCC[C@H]3F)nc2cc1[N+](=O)[O-] ZINC001217980894 802127164 /nfs/dbraw/zinc/12/71/64/802127164.db2.gz NEMYHTGTWZZWRD-NOZJJQNGSA-N 0 3 308.313 2.248 20 5 DEBDHN Cc1cc(O[C@H]2CC[C@@H]3NCCO[C@@H]32)c(C)c(C)c1[N+](=O)[O-] ZINC001218118779 802145620 /nfs/dbraw/zinc/14/56/20/802145620.db2.gz HFGQCPZSYKKNSF-XEZPLFJOSA-N 0 3 306.362 2.418 20 5 DEBDHN COC(=O)c1ccc([N+](=O)[O-])cc1O[C@H]1CCN(C(C)C)C1 ZINC001225452091 802967798 /nfs/dbraw/zinc/96/77/98/802967798.db2.gz YCVQJYUXLDYAQV-LBPRGKRZSA-N 0 3 308.334 2.243 20 5 DEBDHN C[C@H](Oc1ccnc(N)c1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001226658134 803138091 /nfs/dbraw/zinc/13/80/91/803138091.db2.gz XQLISESPDWIFJS-QMMMGPOBSA-N 0 3 303.274 2.441 20 5 DEBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCCC[C@@]23CCOC3)cc1 ZINC001460959294 1058554135 /nfs/dbraw/zinc/55/41/35/1058554135.db2.gz MRBLFLXXMWJJDK-HOTGVXAUSA-N 0 3 306.362 2.273 20 5 DEBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001465899235 1059380908 /nfs/dbraw/zinc/38/09/08/1059380908.db2.gz ABWJEOPIEHOHDU-CABZTGNLSA-N 0 3 323.780 2.461 20 5 DEBDHN CCC(O)(CC)C(C)(C)NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001620522855 1078164200 /nfs/dbraw/zinc/16/42/00/1078164200.db2.gz VVKXGJKKFITUEW-UHFFFAOYSA-N 0 3 323.393 2.113 20 5 DEBDHN N[C@H](C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)C1CCC1 ZINC001580114070 1067498227 /nfs/dbraw/zinc/49/82/27/1067498227.db2.gz WCWIFDSAKUDLKM-LBPRGKRZSA-N 0 3 315.732 2.131 20 5 DEBDHN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC001644824091 1078864365 /nfs/dbraw/zinc/86/43/65/1078864365.db2.gz CJPHTDANIIVZPC-KBPBESRZSA-N 0 3 321.352 2.351 20 5 DEBDHN C[C@@H]1CC[C@@H](C)[N@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001590227765 1076591507 /nfs/dbraw/zinc/59/15/07/1076591507.db2.gz RHASLODNYKZMIJ-GHMZBOCLSA-N 0 3 316.365 2.395 20 5 DEBDHN C[C@@H]1CC[C@@H](C)[N@@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001590227765 1076591509 /nfs/dbraw/zinc/59/15/09/1076591509.db2.gz RHASLODNYKZMIJ-GHMZBOCLSA-N 0 3 316.365 2.395 20 5 DEBDHN C[C@@H]1CC[C@@H](C)[N@H+](Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001590227765 1076591513 /nfs/dbraw/zinc/59/15/13/1076591513.db2.gz RHASLODNYKZMIJ-GHMZBOCLSA-N 0 3 316.365 2.395 20 5 DEBDHN C[C@@H]1CC[C@@H](C)[N@@H+](Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001590227765 1076591517 /nfs/dbraw/zinc/59/15/17/1076591517.db2.gz RHASLODNYKZMIJ-GHMZBOCLSA-N 0 3 316.365 2.395 20 5 DEBDHN C[C@@H]1CC[N@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])[C@H]1C ZINC001609167816 1077781887 /nfs/dbraw/zinc/78/18/87/1077781887.db2.gz BUEHQDLZOJRWOP-ZJUUUORDSA-N 0 3 302.338 2.005 20 5 DEBDHN C[C@@H]1CC[N@@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])[C@H]1C ZINC001609167816 1077781891 /nfs/dbraw/zinc/78/18/91/1077781891.db2.gz BUEHQDLZOJRWOP-ZJUUUORDSA-N 0 3 302.338 2.005 20 5 DEBDHN C[C@@H]1CC[N@H+](Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])[C@H]1C ZINC001609167816 1077781894 /nfs/dbraw/zinc/78/18/94/1077781894.db2.gz BUEHQDLZOJRWOP-ZJUUUORDSA-N 0 3 302.338 2.005 20 5 DEBDHN C[C@@H]1CC[N@@H+](Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])[C@H]1C ZINC001609167816 1077781896 /nfs/dbraw/zinc/78/18/96/1077781896.db2.gz BUEHQDLZOJRWOP-ZJUUUORDSA-N 0 3 302.338 2.005 20 5 DEBDHN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N[C@H]1CN2CCC1CC2 ZINC001651147451 1079790658 /nfs/dbraw/zinc/79/06/58/1079790658.db2.gz KTUVSVQEPJOOOE-ZDUSSCGKSA-N 0 3 323.780 2.001 20 5 DEBDHN Cc1ccc(CN2CC[C@H](Nc3nn(C)cc3[N+](=O)[O-])C2)cc1 ZINC001652150774 1079855236 /nfs/dbraw/zinc/85/52/36/1079855236.db2.gz FSEDUKDFMIDDDA-AWEZNQCLSA-N 0 3 315.377 2.323 20 5 DEBDHN Cn1cnc([N+](=O)[O-])c1N1CCN[C@H](c2ccc(Cl)cc2)C1 ZINC001652342692 1079871746 /nfs/dbraw/zinc/87/17/46/1079871746.db2.gz RBHFWBHMVNCDMO-LBPRGKRZSA-N 0 3 321.768 2.133 20 5 DEBDHN NC(=O)[C@@H]1CCCC[C@@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC001653213909 1079917336 /nfs/dbraw/zinc/91/73/36/1079917336.db2.gz USFAEJMSFQOWRZ-YPMHNXCESA-N 0 3 311.769 2.382 20 5 DEBDHN CCCN(C)CC(=O)NC/C=C/CNc1ccc([N+](=O)[O-])cc1 ZINC001107279720 1080705377 /nfs/dbraw/zinc/70/53/77/1080705377.db2.gz BEWNAZPPCXXJBH-SNAWJCMRSA-N 0 3 320.393 2.021 20 5 DEBDHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)C1CC=CC1 ZINC001663865160 1080827756 /nfs/dbraw/zinc/82/77/56/1080827756.db2.gz GYBAONMKKYWDCC-UHFFFAOYSA-N 0 3 303.362 2.109 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCCN1C ZINC001336224907 1142381670 /nfs/dbraw/zinc/38/16/70/1142381670.db2.gz SOHWXVYFTCAJNL-ZDUSSCGKSA-N 0 3 305.378 2.426 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCCN1C ZINC001336224905 1142381871 /nfs/dbraw/zinc/38/18/71/1142381871.db2.gz SOHWXVYFTCAJNL-CYBMUJFWSA-N 0 3 305.378 2.426 20 5 DEBDHN O=[N+]([O-])c1ccc(N2CCC(NCc3cnccn3)CC2)cc1 ZINC001254465926 1143129304 /nfs/dbraw/zinc/12/93/04/1143129304.db2.gz OURRGNAQJVWIOS-UHFFFAOYSA-N 0 3 313.361 2.143 20 5 DEBDHN CCOC(=O)[C@H]1[C@@H]2CN([C@H](C)Cc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC001254564333 1143250061 /nfs/dbraw/zinc/25/00/61/1143250061.db2.gz KFTCERYOOZMKPS-UYHMYPTGSA-N 0 3 318.373 2.267 20 5 DEBDHN O=C1OCCC12CCN([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254609798 1143281379 /nfs/dbraw/zinc/28/13/79/1143281379.db2.gz YHMHHNAJKPYFIN-HNNXBMFYSA-N 0 3 316.357 2.091 20 5 DEBDHN COc1c([O-])ccc(C[NH2+][C@H](C)Cc2ccncc2)c1[N+](=O)[O-] ZINC001262362461 1144309066 /nfs/dbraw/zinc/30/90/66/1144309066.db2.gz RBZGDDGDFUXCCJ-LLVKDONJSA-N 0 3 317.345 2.425 20 5 DEBDHN C[C@@H]1CN(C2CCOCC2)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000278381778 214129134 /nfs/dbraw/zinc/12/91/34/214129134.db2.gz CXUQFQQNBKVZQB-CQSZACIVSA-N 0 3 319.405 2.280 20 5 DEBDHN C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCN1C ZINC000088055794 185237981 /nfs/dbraw/zinc/23/79/81/185237981.db2.gz RTIHVVBDNFMLDE-NXEZZACHSA-N 0 3 311.769 2.461 20 5 DEBDHN Cc1c([C@H](C)N[C@H]2CC(=O)N(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000090181164 185285227 /nfs/dbraw/zinc/28/52/27/185285227.db2.gz LVZPBCWRPKXVCQ-RYUDHWBXSA-N 0 3 303.362 2.317 20 5 DEBDHN CNC(=O)C[C@H](C)N[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417346912 529872893 /nfs/dbraw/zinc/87/28/93/529872893.db2.gz GCWYZULZNFXAQS-XHDPSFHLSA-N 0 3 305.378 2.477 20 5 DEBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)CN(C)C ZINC000286927865 219229231 /nfs/dbraw/zinc/22/92/31/219229231.db2.gz IXERCYRAPNMBJO-WDEREUQCSA-N 0 3 311.407 2.142 20 5 DEBDHN CSc1ccc(C(=O)N2CCN[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000262861458 186315093 /nfs/dbraw/zinc/31/50/93/186315093.db2.gz UERQDTKAGJIYDM-VHSXEESVSA-N 0 3 309.391 2.139 20 5 DEBDHN CCOc1ccc(C(=O)NCCN2CCCCC2)cc1[N+](=O)[O-] ZINC000046855335 354293816 /nfs/dbraw/zinc/29/38/16/354293816.db2.gz RKRFNTDMSVTYPC-UHFFFAOYSA-N 0 3 321.377 2.209 20 5 DEBDHN Cc1ccc(C(=O)NCCN2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000046956219 354299291 /nfs/dbraw/zinc/29/92/91/354299291.db2.gz XUOGXCIHESPRIE-UHFFFAOYSA-N 0 3 305.378 2.365 20 5 DEBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000055405403 354496569 /nfs/dbraw/zinc/49/65/69/354496569.db2.gz QQNSRAPTMPZIPB-CHWSQXEVSA-N 0 3 305.378 2.445 20 5 DEBDHN C[C@H](C(=O)NCc1cccc([N+](=O)[O-])c1)N1CCCCCC1 ZINC000074530451 355035653 /nfs/dbraw/zinc/03/56/53/355035653.db2.gz TXLSWEFGXYRVDA-CYBMUJFWSA-N 0 3 305.378 2.476 20 5 DEBDHN O=[N+]([O-])c1cc2c(cc1CNC[C@@H]1CCCC[C@H]1O)OCCO2 ZINC000077465507 355206984 /nfs/dbraw/zinc/20/69/84/355206984.db2.gz RHZWRERIJBUXNQ-SMDDNHRTSA-N 0 3 322.361 2.007 20 5 DEBDHN CC(C)c1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000390887842 540135381 /nfs/dbraw/zinc/13/53/81/540135381.db2.gz XUFALJROEHSKDH-INIZCTEOSA-N 0 3 318.377 2.065 20 5 DEBDHN C[C@H](NCCn1cnnc1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000090032445 355552809 /nfs/dbraw/zinc/55/28/09/355552809.db2.gz ZJDUPRRFYWWAHN-NSHDSACASA-N 0 3 301.350 2.415 20 5 DEBDHN C[C@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000087303755 355508096 /nfs/dbraw/zinc/50/80/96/355508096.db2.gz KOECJCFJWUXTDT-CYBMUJFWSA-N 0 3 305.378 2.128 20 5 DEBDHN C[C@H](C(=O)NC[C@H]1CCCN1C)c1ccc([N+](=O)[O-])cc1F ZINC000185119618 356202272 /nfs/dbraw/zinc/20/22/72/356202272.db2.gz UJSZCPHMLRVYDF-CMPLNLGQSA-N 0 3 309.341 2.048 20 5 DEBDHN CN1CC[C@H]2[C@H](CCCN2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000269093388 283163542 /nfs/dbraw/zinc/16/35/42/283163542.db2.gz MBRYJTIWZBCQGC-YPMHNXCESA-N 0 3 320.349 2.424 20 5 DEBDHN O=C(c1cccc([N+](=O)[O-])c1)N1CCNC2(CCCCC2)C1 ZINC000400745712 356725680 /nfs/dbraw/zinc/72/56/80/356725680.db2.gz GGBOMOBBOKTVQE-UHFFFAOYSA-N 0 3 303.362 2.343 20 5 DEBDHN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NC[C@H](C)N(C)C ZINC000443422438 283266918 /nfs/dbraw/zinc/26/69/18/283266918.db2.gz JRSGAPIKWASJRT-VIFPVBQESA-N 0 3 313.329 2.273 20 5 DEBDHN CCO[C@@H]1C[C@@H](NCc2c([N+](=O)[O-])ncn2C)C12CCCC2 ZINC000590739508 357595995 /nfs/dbraw/zinc/59/59/95/357595995.db2.gz OQGTUIXDRBOENO-CHWSQXEVSA-N 0 3 308.382 2.156 20 5 DEBDHN CCOC[C@H](O)CNCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000591764257 357757389 /nfs/dbraw/zinc/75/73/89/357757389.db2.gz AJLWXEIYEAHGLO-GFCCVEGCSA-N 0 3 322.283 2.101 20 5 DEBDHN CC(C)(NC[C@@H]1CNc2ccnn2C1)c1ccccc1[N+](=O)[O-] ZINC000592515227 357892068 /nfs/dbraw/zinc/89/20/68/357892068.db2.gz XFDZGYQQERRMNJ-LBPRGKRZSA-N 0 3 315.377 2.358 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCN1CCCCC1 ZINC000593884627 358164913 /nfs/dbraw/zinc/16/49/13/358164913.db2.gz ULQYZDKXEQYFJP-UHFFFAOYSA-N 0 3 305.378 2.461 20 5 DEBDHN CN1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000593984251 358184023 /nfs/dbraw/zinc/18/40/23/358184023.db2.gz ODANSCCKABQEIG-UHFFFAOYSA-N 0 3 307.394 2.390 20 5 DEBDHN C[C@H](CN1CCCC1=O)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594503274 358285234 /nfs/dbraw/zinc/28/52/34/358285234.db2.gz IRZDUBXDYDEFDM-RISCZKNCSA-N 0 3 303.362 2.183 20 5 DEBDHN C[C@H](CN1CCCC1=O)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594503253 358284945 /nfs/dbraw/zinc/28/49/45/358284945.db2.gz IRZDUBXDYDEFDM-BXUZGUMPSA-N 0 3 303.362 2.183 20 5 DEBDHN C[S@](=O)[C@@H]1CCC[C@@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000594961098 358369501 /nfs/dbraw/zinc/36/95/01/358369501.db2.gz LFNXAPJHNZBGAG-BFKGZMGPSA-N 0 3 302.421 2.436 20 5 DEBDHN CC(C)(C)N1C[C@H](CNCc2ccc([N+](=O)[O-])cc2F)CC1=O ZINC000594992405 358373887 /nfs/dbraw/zinc/37/38/87/358373887.db2.gz DSOSTAWXHJGHED-NSHDSACASA-N 0 3 323.368 2.471 20 5 DEBDHN CC(C)(C)N1C[C@@H](CNCc2ccccc2[N+](=O)[O-])CC1=O ZINC000594994406 358375136 /nfs/dbraw/zinc/37/51/36/358375136.db2.gz UVAIKNIJZGJPQQ-GFCCVEGCSA-N 0 3 305.378 2.331 20 5 DEBDHN O=[N+]([O-])c1cccc(CN(CCN2CCOCC2)CC2CC2)c1 ZINC000595806727 358552250 /nfs/dbraw/zinc/55/22/50/358552250.db2.gz FRURBSIIRCNUFJ-UHFFFAOYSA-N 0 3 319.405 2.139 20 5 DEBDHN Cc1cc(N2CCN([C@H]3CCCN(C)C3)CC2)c([N+](=O)[O-])s1 ZINC000596127957 358617954 /nfs/dbraw/zinc/61/79/54/358617954.db2.gz DJZPOGKUIZJYGG-ZDUSSCGKSA-N 0 3 324.450 2.181 20 5 DEBDHN CC(C)C[N@@H+]1CCC[C@@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596170845 358628801 /nfs/dbraw/zinc/62/88/01/358628801.db2.gz YAUPZWLLKCYAHU-LBPRGKRZSA-N 0 3 308.382 2.475 20 5 DEBDHN CC(C)C[N@H+]1CCC[C@@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596170845 358628805 /nfs/dbraw/zinc/62/88/05/358628805.db2.gz YAUPZWLLKCYAHU-LBPRGKRZSA-N 0 3 308.382 2.475 20 5 DEBDHN CC1(C)CCCN(CCNc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596212091 358641491 /nfs/dbraw/zinc/64/14/91/358641491.db2.gz ACJWOPZDKMOELP-UHFFFAOYSA-N 0 3 320.393 2.228 20 5 DEBDHN CC(C)(C)N1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000597921802 359041377 /nfs/dbraw/zinc/04/13/77/359041377.db2.gz BOVUQDMQUJMSDT-JTQLQIEISA-N 0 3 309.341 2.337 20 5 DEBDHN CNc1ccc(C(=O)N[C@H]2CCN(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000597925378 359043268 /nfs/dbraw/zinc/04/32/68/359043268.db2.gz NZPFEKOTEDOHQK-LBPRGKRZSA-N 0 3 320.393 2.239 20 5 DEBDHN CNc1ccc(C(=O)N[C@@H]2CCN(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000597925377 359043822 /nfs/dbraw/zinc/04/38/22/359043822.db2.gz NZPFEKOTEDOHQK-GFCCVEGCSA-N 0 3 320.393 2.239 20 5 DEBDHN CC(C)(C)N1CC[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000597925943 359044123 /nfs/dbraw/zinc/04/41/23/359044123.db2.gz YXUUGHRVPXIFHT-NSHDSACASA-N 0 3 309.341 2.337 20 5 DEBDHN CCCN1CC[C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000598342287 359168478 /nfs/dbraw/zinc/16/84/78/359168478.db2.gz LSHFZZFKRWCTKA-LLVKDONJSA-N 0 3 316.361 2.290 20 5 DEBDHN CC(C)[C@H]1CN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CCN1 ZINC000598569121 359243890 /nfs/dbraw/zinc/24/38/90/359243890.db2.gz ANSQMLUKDPCMNZ-CQSZACIVSA-N 0 3 319.405 2.329 20 5 DEBDHN O=C(NC[C@@H]1C[C@H](F)CN1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598916007 359356911 /nfs/dbraw/zinc/35/69/11/359356911.db2.gz SQGLUIUQTOAHMK-YUMQZZPRSA-N 0 3 316.720 2.070 20 5 DEBDHN C[C@H](NCCCCCS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000186862456 200023554 /nfs/dbraw/zinc/02/35/54/200023554.db2.gz XWCQHWKAZIQZEW-LBPRGKRZSA-N 0 3 314.407 2.460 20 5 DEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCCC3(CC3)C2)c1 ZINC000186975039 200041590 /nfs/dbraw/zinc/04/15/90/200041590.db2.gz NGJGWLPZGNFWGW-CQSZACIVSA-N 0 3 306.362 2.211 20 5 DEBDHN CN(C)CC1(NC(=O)CSc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000281074058 216061432 /nfs/dbraw/zinc/06/14/32/216061432.db2.gz NCMKFFOULZWPAY-UHFFFAOYSA-N 0 3 323.418 2.287 20 5 DEBDHN Cc1c(C(=O)N(C)CC2(N(C)C)CCC2)cccc1[N+](=O)[O-] ZINC000188071800 200189256 /nfs/dbraw/zinc/18/92/56/200189256.db2.gz SCWMZAGHJCHVFR-UHFFFAOYSA-N 0 3 305.378 2.460 20 5 DEBDHN O=[N+]([O-])c1ccc(CO)c(-c2cccc([C@H]3CNCCO3)c2)c1 ZINC000600782124 359827218 /nfs/dbraw/zinc/82/72/18/359827218.db2.gz KEQLEMSBLDMVNB-QGZVFWFLSA-N 0 3 314.341 2.415 20 5 DEBDHN Cc1cccc(CN2CC[C@H](Nc3c([N+](=O)[O-])ncn3C)C2)c1 ZINC000601240443 359978215 /nfs/dbraw/zinc/97/82/15/359978215.db2.gz SXYVWWLLVMHKIJ-AWEZNQCLSA-N 0 3 315.377 2.323 20 5 DEBDHN CN(CCN1CCCCC1)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601660136 360103190 /nfs/dbraw/zinc/10/31/90/360103190.db2.gz RGZGMPGFMUYIEP-UHFFFAOYSA-N 0 3 309.341 2.292 20 5 DEBDHN CCC[C@H](CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)OC ZINC000602474666 360393588 /nfs/dbraw/zinc/39/35/88/360393588.db2.gz RDFACJRSUICRQG-TZMCWYRMSA-N 0 3 308.382 2.291 20 5 DEBDHN CCO[C@H]1C[C@@H](N(C)CCn2c(C)ncc2[N+](=O)[O-])C1(C)C ZINC000602779227 360549904 /nfs/dbraw/zinc/54/99/04/360549904.db2.gz LILUJPZIYBQERQ-OLZOCXBDSA-N 0 3 310.398 2.235 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@]2(CCSC2)C1 ZINC000602838009 360582184 /nfs/dbraw/zinc/58/21/84/360582184.db2.gz RHGNJGWWCFWGAA-CQSZACIVSA-N 0 3 310.423 2.319 20 5 DEBDHN COC(=O)C[C@H]1CCCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000604305052 360895673 /nfs/dbraw/zinc/89/56/73/360895673.db2.gz QHBSGWNHADJOMW-CYBMUJFWSA-N 0 3 322.361 2.391 20 5 DEBDHN CN(CC(=O)NCCNc1ccc([N+](=O)[O-])cc1)CC(C)(C)C ZINC000608886426 361273967 /nfs/dbraw/zinc/27/39/67/361273967.db2.gz RLBCJLNTOBGMJC-UHFFFAOYSA-N 0 3 322.409 2.101 20 5 DEBDHN O=C(N[C@H]1CCN(CC2CC2)C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000609383521 361307948 /nfs/dbraw/zinc/30/79/48/361307948.db2.gz RTHWTPCSESQMBR-NSHDSACASA-N 0 3 323.780 2.462 20 5 DEBDHN CN(C)C[C@@H]1CCCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000609448070 361311852 /nfs/dbraw/zinc/31/18/52/361311852.db2.gz SCQXIWPVTIYQEL-ZDUSSCGKSA-N 0 3 309.341 2.290 20 5 DEBDHN CCCN(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)CC(C)(C)O ZINC000611268862 361567161 /nfs/dbraw/zinc/56/71/61/361567161.db2.gz PKBOFGGGZDYMHX-UHFFFAOYSA-N 0 3 324.377 2.349 20 5 DEBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3ccc(O)cc3)C2)nc1 ZINC000611526554 361623090 /nfs/dbraw/zinc/62/30/90/361623090.db2.gz UDTFDUSFUHPNNF-CYBMUJFWSA-N 0 3 314.345 2.382 20 5 DEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCc1ccnc2ccnn21 ZINC000449221996 240224974 /nfs/dbraw/zinc/22/49/74/240224974.db2.gz BTVSKUAONYDWJP-GFCCVEGCSA-N 0 3 311.345 2.358 20 5 DEBDHN O=[N+]([O-])c1ccc([C@H]2CCCN(C[C@@H]3COCCO3)C2)cc1 ZINC000451549254 243097042 /nfs/dbraw/zinc/09/70/42/243097042.db2.gz PKLRSKBARHHRTA-GOEBONIOSA-N 0 3 306.362 2.190 20 5 DEBDHN O=[N+]([O-])c1ccc(OCCN2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)cc1 ZINC000451709504 243345663 /nfs/dbraw/zinc/34/56/63/243345663.db2.gz OMKYWFCBPFYUGY-IIAWOOMASA-N 0 3 320.389 2.457 20 5 DEBDHN C[C@H](CCO)N(CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000093303488 193226107 /nfs/dbraw/zinc/22/61/07/193226107.db2.gz HFRIBSQLWZFMBH-CQSZACIVSA-N 0 3 318.377 2.064 20 5 DEBDHN CC[C@@H](NCC(=O)NCC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000271680208 209121623 /nfs/dbraw/zinc/12/16/23/209121623.db2.gz BJHYGKRRSUYGQI-LLVKDONJSA-N 0 3 301.293 2.017 20 5 DEBDHN C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1Cl ZINC000266476131 205374695 /nfs/dbraw/zinc/37/46/95/205374695.db2.gz SFSUMBLYMAGZJD-CMPLNLGQSA-N 0 3 324.768 2.156 20 5 DEBDHN C[C@@H]1CN(CCCCNc2ccc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000267966218 206365208 /nfs/dbraw/zinc/36/52/08/206365208.db2.gz USZCCJGTSZEPSO-BETUJISGSA-N 0 3 308.382 2.291 20 5 DEBDHN CN(C)C/C=C\C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000492212905 249016928 /nfs/dbraw/zinc/01/69/28/249016928.db2.gz DVXPLLGJZNLNIN-DAXSKMNVSA-N 0 3 303.362 2.204 20 5 DEBDHN CN1CCC[C@@H]1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000273935178 211191339 /nfs/dbraw/zinc/19/13/39/211191339.db2.gz IUTUCCVQMUXQTG-GFCCVEGCSA-N 0 3 323.368 2.222 20 5 DEBDHN C[C@@H](CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1)N(C)C1CC1 ZINC000057719546 184050023 /nfs/dbraw/zinc/05/00/23/184050023.db2.gz KDTBNCMTKMFZCI-LZGFCCKTSA-N 0 3 303.362 2.207 20 5 DEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC2CCCCC2)cc1 ZINC000272902940 210290864 /nfs/dbraw/zinc/29/08/64/210290864.db2.gz DLTCVAPJNYRKEE-UHFFFAOYSA-N 0 3 312.391 2.291 20 5 DEBDHN O=[N+]([O-])c1cc(CN[C@H](CO)C2CCCC2)c2c(c1)COCO2 ZINC000289468038 220996269 /nfs/dbraw/zinc/99/62/69/220996269.db2.gz HQZTVJSPXDVQJV-OAHLLOKOSA-N 0 3 322.361 2.102 20 5 DEBDHN COc1ccc(NC(=O)CNC2(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000544413206 285348096 /nfs/dbraw/zinc/34/80/96/285348096.db2.gz YXBBNOZLCVHQPS-UHFFFAOYSA-N 0 3 305.334 2.074 20 5 DEBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000121137675 195298293 /nfs/dbraw/zinc/29/82/93/195298293.db2.gz CHLLDXLYBTZEPM-CBDHMYSDSA-N 0 3 317.389 2.407 20 5 DEBDHN C[C@@H](NC[C@@H](O)COCC(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000293036601 533413973 /nfs/dbraw/zinc/41/39/73/533413973.db2.gz WSQPPYLZPIVLJL-NXEZZACHSA-N 0 3 322.283 2.185 20 5 DEBDHN C[C@H](NC(=O)N1CCN(C)CC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000355425353 133026153 /nfs/dbraw/zinc/02/61/53/133026153.db2.gz SXYLXGXBMZHDMN-STQMWFEESA-N 0 3 320.393 2.391 20 5 DEBDHN C[C@@H]1C[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000357412961 133076584 /nfs/dbraw/zinc/07/65/84/133076584.db2.gz KXTZSFIVPGMNNJ-TZMCWYRMSA-N 0 3 319.405 2.471 20 5 DEBDHN C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000357936604 133110558 /nfs/dbraw/zinc/11/05/58/133110558.db2.gz LVUAVGCWEWQNJS-SNVBAGLBSA-N 0 3 307.325 2.114 20 5 DEBDHN Cc1n[nH]cc1CN[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000358149711 133124696 /nfs/dbraw/zinc/12/46/96/133124696.db2.gz GFIGZKDDYLCSBP-JTQLQIEISA-N 0 3 317.349 2.133 20 5 DEBDHN COc1ccc(NC(=O)N[C@H]2CCN(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000360397909 133179708 /nfs/dbraw/zinc/17/97/08/133179708.db2.gz ZAVOHSDZIKVVEN-JQWIXIFHSA-N 0 3 322.365 2.208 20 5 DEBDHN CC(=O)N[C@H](C)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000360616264 133192874 /nfs/dbraw/zinc/19/28/74/133192874.db2.gz ALZDJPSWLLOCLG-CYBMUJFWSA-N 0 3 319.405 2.374 20 5 DEBDHN COCCO[C@@H]1COCC[C@@H]1N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000362714024 133247321 /nfs/dbraw/zinc/24/73/21/133247321.db2.gz CNGUQMSCOCHJHP-VBNZEHGJSA-N 0 3 324.377 2.066 20 5 DEBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC([C@@H]3CCOC3)CC2)c1 ZINC000376338812 133291222 /nfs/dbraw/zinc/29/12/22/133291222.db2.gz FHRVOVAERQJXOM-NVXWUHKLSA-N 0 3 320.389 2.377 20 5 DEBDHN COC(=O)[C@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000191830222 145065545 /nfs/dbraw/zinc/06/55/45/145065545.db2.gz PTRGOLFNRYKZHJ-DOMZBBRYSA-N 0 3 306.362 2.268 20 5 DEBDHN CN(C)CCOCCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000318280242 145367659 /nfs/dbraw/zinc/36/76/59/145367659.db2.gz CNTRMXKEILAFNQ-UHFFFAOYSA-N 0 3 304.350 2.133 20 5 DEBDHN CN(CCN1CCCC1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000352084817 146476850 /nfs/dbraw/zinc/47/68/50/146476850.db2.gz PBIIWGDGBCFMND-UHFFFAOYSA-N 0 3 319.405 2.427 20 5 DEBDHN Cc1csc(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000565358682 292156724 /nfs/dbraw/zinc/15/67/24/292156724.db2.gz HXZGUZPUHNWOFX-GFCCVEGCSA-N 0 3 322.386 2.494 20 5 DEBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCCN1C1CC1 ZINC000359129957 147267514 /nfs/dbraw/zinc/26/75/14/147267514.db2.gz MJMUWBLFPDJJDL-INIZCTEOSA-N 0 3 317.389 2.223 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCOC[C@H](C)C1 ZINC000371110562 148063680 /nfs/dbraw/zinc/06/36/80/148063680.db2.gz ZREKXLFDDNMZCS-GFCCVEGCSA-N 0 3 321.377 2.200 20 5 DEBDHN C[C@H](CCS(C)(=O)=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000127096948 401720295 /nfs/dbraw/zinc/72/02/95/401720295.db2.gz GBIQWVKSVFQFRE-GHMZBOCLSA-N 0 3 300.380 2.069 20 5 DEBDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000115435380 401827892 /nfs/dbraw/zinc/82/78/92/401827892.db2.gz HGWWZOKURUGXHM-NSHDSACASA-N 0 3 309.341 2.148 20 5 DEBDHN CSc1ccc(C(=O)NC2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000029769450 401858400 /nfs/dbraw/zinc/85/84/00/401858400.db2.gz XWKSWZDCOVCJNJ-UHFFFAOYSA-N 0 3 309.391 2.141 20 5 DEBDHN O=[N+]([O-])c1ccccc1CN1CCC[C@@H](Cn2ccnn2)C1 ZINC000118994457 401917840 /nfs/dbraw/zinc/91/78/40/401917840.db2.gz LQHVHVFXNIYWHS-CYBMUJFWSA-N 0 3 301.350 2.099 20 5 DEBDHN COc1ccc(OCCN(C)[C@H]2CCSC2)c([N+](=O)[O-])c1 ZINC000089938020 401975208 /nfs/dbraw/zinc/97/52/08/401975208.db2.gz DKBNQXIOPSYFKL-NSHDSACASA-N 0 3 312.391 2.420 20 5 DEBDHN CN1CCC[C@@H](CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000136997117 401976825 /nfs/dbraw/zinc/97/68/25/401976825.db2.gz JARGYLKWANMSRK-JTQLQIEISA-N 0 3 311.769 2.320 20 5 DEBDHN Cc1cccc(C(=O)NCCN2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000047148654 401979049 /nfs/dbraw/zinc/97/90/49/401979049.db2.gz GGOGDXGZBJKNLD-LBPRGKRZSA-N 0 3 305.378 2.365 20 5 DEBDHN Cc1ccc([C@H](C)NCCCN2CCOCC2)cc1[N+](=O)[O-] ZINC000120538107 401993342 /nfs/dbraw/zinc/99/33/42/401993342.db2.gz FNYKHWFDRMTLBD-AWEZNQCLSA-N 0 3 307.394 2.276 20 5 DEBDHN CCCN1CCC[C@@H]1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000089301571 401941528 /nfs/dbraw/zinc/94/15/28/401941528.db2.gz XAHXKFTWNHGHBS-OAHLLOKOSA-N 0 3 305.378 2.128 20 5 DEBDHN Cc1cc(C(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)cc([N+](=O)[O-])c1 ZINC000119344661 401942929 /nfs/dbraw/zinc/94/29/29/401942929.db2.gz CXKFRQAPUHIDLS-CZUORRHYSA-N 0 3 317.389 2.460 20 5 DEBDHN COCCCN(C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000092536911 402005963 /nfs/dbraw/zinc/00/59/63/402005963.db2.gz NFPWQYBHIVSCCR-UHFFFAOYSA-N 0 3 318.377 2.464 20 5 DEBDHN CCN1CCC[C@@H]1CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000067179172 402154212 /nfs/dbraw/zinc/15/42/12/402154212.db2.gz PNRSFJGTPXUFPZ-JOZWUWCOSA-N 0 3 303.362 2.209 20 5 DEBDHN COC(=O)CCN(CC(C)C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153822451 402172547 /nfs/dbraw/zinc/17/25/47/402172547.db2.gz BVYGHYBPCHVUQC-HNNXBMFYSA-N 0 3 324.377 2.149 20 5 DEBDHN C[C@@H](N[C@H](C)C1CCOCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000125508568 402236524 /nfs/dbraw/zinc/23/65/24/402236524.db2.gz KLGLCQGCIKBUBD-VXGBXAGGSA-N 0 3 321.377 2.327 20 5 DEBDHN Cc1c(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000177198833 402381059 /nfs/dbraw/zinc/38/10/59/402381059.db2.gz DWJXUEWIHPUHOY-JQWIXIFHSA-N 0 3 303.362 2.258 20 5 DEBDHN CCOC(=O)N1CC[C@H](N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000186443048 402431925 /nfs/dbraw/zinc/43/19/25/402431925.db2.gz JTHSNFNUMKRPSL-YPMHNXCESA-N 0 3 307.350 2.476 20 5 DEBDHN Cc1c(CN2CCN(C[C@@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000178494638 402504173 /nfs/dbraw/zinc/50/41/73/402504173.db2.gz SMTCSCJCNVXWMQ-HNNXBMFYSA-N 0 3 319.405 2.057 20 5 DEBDHN Cc1c(NC(=O)[C@H](C)N(C)C[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000247117849 402557639 /nfs/dbraw/zinc/55/76/39/402557639.db2.gz RMVAAKGLWJYSFO-QWHCGFSZSA-N 0 3 321.377 2.199 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC1(N(C)C)CCC1 ZINC000188026902 402514749 /nfs/dbraw/zinc/51/47/49/402514749.db2.gz WOJVFQQTWKVCAA-UHFFFAOYSA-N 0 3 321.377 2.160 20 5 DEBDHN O=C1CCc2cc([N+](=O)[O-])c(NCCN3CCCCC3)cc2N1 ZINC000170843944 402532004 /nfs/dbraw/zinc/53/20/04/402532004.db2.gz OUILMHISTOEAIN-UHFFFAOYSA-N 0 3 318.377 2.377 20 5 DEBDHN C[C@H](C(=O)N(C)C1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000182671638 402707520 /nfs/dbraw/zinc/70/75/20/402707520.db2.gz AVIXXCWTSKQNAM-NSHDSACASA-N 0 3 323.368 2.390 20 5 DEBDHN COCC[C@](C)(O)CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192871952 402754376 /nfs/dbraw/zinc/75/43/76/402754376.db2.gz AAXBNCYUGRKPEX-HOTGVXAUSA-N 0 3 308.378 2.349 20 5 DEBDHN O=[N+]([O-])c1ccn(CCN2CC[C@H](Oc3cccc(F)c3)C2)n1 ZINC000183384970 402762050 /nfs/dbraw/zinc/76/20/50/402762050.db2.gz FDGRREUDNDCGKS-AWEZNQCLSA-N 0 3 320.324 2.084 20 5 DEBDHN Cc1c([C@@H](C)NC[C@H](O)c2cccc([N+](=O)[O-])c2)cnn1C ZINC000183470326 402770354 /nfs/dbraw/zinc/77/03/54/402770354.db2.gz HPVPMQUEFHMGFI-BMIGLBTASA-N 0 3 304.350 2.021 20 5 DEBDHN Cc1c(NC(=O)N(C)CCN(C)C2CC2)cccc1[N+](=O)[O-] ZINC000183940922 402806928 /nfs/dbraw/zinc/80/69/28/402806928.db2.gz OQAPICQSTOZDHJ-UHFFFAOYSA-N 0 3 306.366 2.461 20 5 DEBDHN CC[C@@H]1CCCCN1CCNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183632911 402783898 /nfs/dbraw/zinc/78/38/98/402783898.db2.gz OBDWCSZKSSTVPY-GFCCVEGCSA-N 0 3 321.381 2.376 20 5 DEBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000272149207 402903550 /nfs/dbraw/zinc/90/35/50/402903550.db2.gz FWWQMKYYFBKVIM-SNVBAGLBSA-N 0 3 311.407 2.459 20 5 DEBDHN COCCN(C)CCN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279004690 402894533 /nfs/dbraw/zinc/89/45/33/402894533.db2.gz GEHIPYCJEIISLL-MRXNPFEDSA-N 0 3 321.421 2.485 20 5 DEBDHN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CCCC[C@H]1O ZINC000272512157 402946642 /nfs/dbraw/zinc/94/66/42/402946642.db2.gz KENHDHAGHMOXGU-IMJJTQAJSA-N 0 3 308.378 2.111 20 5 DEBDHN CN(C)[C@H]1CCCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000265767302 402947328 /nfs/dbraw/zinc/94/73/28/402947328.db2.gz HLFOBXUWCCEIGC-HNNXBMFYSA-N 0 3 319.405 2.425 20 5 DEBDHN CN1CC[C@@H]2CCN(C(=O)CCc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000272562815 402953581 /nfs/dbraw/zinc/95/35/81/402953581.db2.gz ULGFHNGZPFASRH-ZBFHGGJFSA-N 0 3 317.389 2.080 20 5 DEBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000273386439 403000141 /nfs/dbraw/zinc/00/01/41/403000141.db2.gz CWJFMOJMTMDWPG-NSHDSACASA-N 0 3 321.381 2.184 20 5 DEBDHN COCC[C@H](CO)N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000281164062 403059644 /nfs/dbraw/zinc/05/96/44/403059644.db2.gz BPHWNAMZKRTRJK-IAQYHMDHSA-N 0 3 308.378 2.304 20 5 DEBDHN Cc1c(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000268238859 403065211 /nfs/dbraw/zinc/06/52/11/403065211.db2.gz OLPWAEQSHQRFQI-YGRLFVJLSA-N 0 3 303.362 2.116 20 5 DEBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000268243962 403065827 /nfs/dbraw/zinc/06/58/27/403065827.db2.gz VNRDMKFWBOACJM-YMTOWFKASA-N 0 3 323.780 2.461 20 5 DEBDHN CCC(CC)(CCO)NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000283035733 403165576 /nfs/dbraw/zinc/16/55/76/403165576.db2.gz QUEVOWOKPYURHA-UHFFFAOYSA-N 0 3 324.377 2.492 20 5 DEBDHN C[C@]12CCN(CCn3ccc([N+](=O)[O-])n3)C[C@H]1C2(Cl)Cl ZINC000283950440 403234438 /nfs/dbraw/zinc/23/44/38/403234438.db2.gz ANZSIRYEZIGNOS-KOLCDFICSA-N 0 3 319.192 2.307 20 5 DEBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCN(C2CC2)C1 ZINC000331444858 403386192 /nfs/dbraw/zinc/38/61/92/403386192.db2.gz YEECCSKJRJMUFB-NSHDSACASA-N 0 3 323.780 2.144 20 5 DEBDHN Cn1cccc1CN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000331515854 403405153 /nfs/dbraw/zinc/40/51/53/403405153.db2.gz CMVWBCDHJITISA-KGLIPLIRSA-N 0 3 303.366 2.403 20 5 DEBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)N(C)C ZINC000343178299 403488991 /nfs/dbraw/zinc/48/89/91/403488991.db2.gz QAMCVQYIBNJABT-SNVBAGLBSA-N 0 3 311.407 2.387 20 5 DEBDHN CCN1C[C@@H](C)N(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C)C1 ZINC000332248245 403528713 /nfs/dbraw/zinc/52/87/13/403528713.db2.gz TVIBIGXLCUYCDG-TXEJJXNPSA-N 0 3 317.393 2.386 20 5 DEBDHN CN1CC=C(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000343352546 403551170 /nfs/dbraw/zinc/55/11/70/403551170.db2.gz VUYPDMVODRNSGS-UHFFFAOYSA-N 0 3 314.345 2.068 20 5 DEBDHN CN1CC[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000293996114 403619847 /nfs/dbraw/zinc/61/98/47/403619847.db2.gz WVMPKMPXKJQZFS-HNNXBMFYSA-N 0 3 323.780 2.416 20 5 DEBDHN CCCN1CCC[C@H]1CNC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000343563139 403639509 /nfs/dbraw/zinc/63/95/09/403639509.db2.gz GFXHMZWJKKCNAE-LBPRGKRZSA-N 0 3 321.377 2.208 20 5 DEBDHN Cc1cc(NCCc2cnccn2)c2cc([N+](=O)[O-])ccc2n1 ZINC000340818675 403663620 /nfs/dbraw/zinc/66/36/20/403663620.db2.gz HMBAHSGGTUFYNY-UHFFFAOYSA-N 0 3 309.329 2.318 20 5 DEBDHN Cc1ccc([C@H](C)NC(=O)N[C@@H](C)CN(C)C)cc1[N+](=O)[O-] ZINC000287683016 403647939 /nfs/dbraw/zinc/64/79/39/403647939.db2.gz PUBOTLXIGAGUMB-RYUDHWBXSA-N 0 3 308.382 2.214 20 5 DEBDHN Cn1c(C(=O)N2CCC[C@@H]2CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000340644085 403649198 /nfs/dbraw/zinc/64/91/98/403649198.db2.gz XLXHHUOQAHGITR-CYBMUJFWSA-N 0 3 320.393 2.024 20 5 DEBDHN COc1cc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])cc1[O-] ZINC000295049319 403743061 /nfs/dbraw/zinc/74/30/61/403743061.db2.gz PHIKQVGGXAPASK-YHWZYXNKSA-N 0 3 321.377 2.024 20 5 DEBDHN COc1cc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c([N+](=O)[O-])cc1[O-] ZINC000295049319 403743068 /nfs/dbraw/zinc/74/30/68/403743068.db2.gz PHIKQVGGXAPASK-YHWZYXNKSA-N 0 3 321.377 2.024 20 5 DEBDHN C[C@H](CNc1cccc(C(N)=O)c1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000341523078 404014292 /nfs/dbraw/zinc/01/42/92/404014292.db2.gz HTRWIKLMGGLVHN-VXGBXAGGSA-N 0 3 320.393 2.226 20 5 DEBDHN O=[N+]([O-])c1ccc(CN[C@@H](CO)[C@H]2CCCOC2)c(Cl)c1 ZINC000411988554 404047656 /nfs/dbraw/zinc/04/76/56/404047656.db2.gz ODYPLOAJVKOFKS-FZMZJTMJSA-N 0 3 314.769 2.125 20 5 DEBDHN Cc1nnc([C@@H]2CCN(Cc3c(F)cccc3[N+](=O)[O-])C2)[nH]1 ZINC000412026886 404064162 /nfs/dbraw/zinc/06/41/62/404064162.db2.gz KDAQUWHNCKJAIP-SNVBAGLBSA-N 0 3 305.313 2.150 20 5 DEBDHN O=[N+]([O-])c1cccc(CNC[C@H](O)COc2ccccc2F)c1 ZINC000320326149 404065216 /nfs/dbraw/zinc/06/52/16/404065216.db2.gz XMOXKURAXUKTCT-AWEZNQCLSA-N 0 3 320.320 2.263 20 5 DEBDHN CCn1cc([C@H](C)NC[C@@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000296121683 404103753 /nfs/dbraw/zinc/10/37/53/404103753.db2.gz QYBWZWBHSAMGPM-XHDPSFHLSA-N 0 3 304.350 2.195 20 5 DEBDHN COC(=O)[C@@]1(C)CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000412106044 404139336 /nfs/dbraw/zinc/13/93/36/404139336.db2.gz PSQXBKJYBGQWMO-INIZCTEOSA-N 0 3 322.361 2.249 20 5 DEBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@H]1CCCN1C ZINC000341839778 404205573 /nfs/dbraw/zinc/20/55/73/404205573.db2.gz GNSHJHYRXWHBOA-LLVKDONJSA-N 0 3 307.350 2.196 20 5 DEBDHN COc1ccc(OCCN(C)[C@@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000352196073 404206059 /nfs/dbraw/zinc/20/60/59/404206059.db2.gz WIADKVHXURUWEG-GFCCVEGCSA-N 0 3 310.350 2.093 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1CNCCn1cnnc1C1CC1 ZINC000350037285 404302474 /nfs/dbraw/zinc/30/24/74/404302474.db2.gz MZUVZDZVQUNNFZ-UHFFFAOYSA-N 0 3 301.350 2.162 20 5 DEBDHN CN(C[C@H](O)COc1cc(F)c([N+](=O)[O-])cc1Cl)C1CC1 ZINC000290797837 404317574 /nfs/dbraw/zinc/31/75/74/404317574.db2.gz PELSEHWARHRRGP-VIFPVBQESA-N 0 3 318.732 2.221 20 5 DEBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCO[C@]3(CCOC3)C2)c(F)c1 ZINC000350312118 404363049 /nfs/dbraw/zinc/36/30/49/404363049.db2.gz NADKNCDGEOPMFX-SWLSCSKDSA-N 0 3 310.325 2.162 20 5 DEBDHN C[C@H](NC(=O)NCC1(N(C)C)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000296931785 404377429 /nfs/dbraw/zinc/37/74/29/404377429.db2.gz QINUTQPIGDBCSZ-LBPRGKRZSA-N 0 3 320.393 2.439 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000296938061 404380334 /nfs/dbraw/zinc/38/03/34/404380334.db2.gz QMNZAUZYXIBHBH-MRXNPFEDSA-N 0 3 318.377 2.463 20 5 DEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC3(CC3)CC2)c1 ZINC000370271265 404385925 /nfs/dbraw/zinc/38/59/25/404385925.db2.gz RUCAHDVGRGADPF-AWEZNQCLSA-N 0 3 306.362 2.211 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000344923007 404448240 /nfs/dbraw/zinc/44/82/40/404448240.db2.gz WDIJATCHTUDMMJ-ZYHUDNBSSA-N 0 3 322.365 2.208 20 5 DEBDHN CCS(=O)(=O)CCCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000342348112 404525179 /nfs/dbraw/zinc/52/51/79/404525179.db2.gz XPMWGRVWVIRZOM-GFCCVEGCSA-N 0 3 314.407 2.379 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000415498634 404871416 /nfs/dbraw/zinc/87/14/16/404871416.db2.gz ISXQLLQQQHMDTF-GWCFXTLKSA-N 0 3 322.365 2.138 20 5 DEBDHN CN(C)C1(CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000416309582 405099728 /nfs/dbraw/zinc/09/97/28/405099728.db2.gz WKOAVZKYYUESJW-UHFFFAOYSA-N 0 3 305.378 2.083 20 5 DEBDHN CCCc1[n-]nc(-c2nc(C3([NH3+])CCCCC3)no2)c1[N+](=O)[O-] ZINC000424339696 405072577 /nfs/dbraw/zinc/07/25/77/405072577.db2.gz DPROXWLZOGEOLD-UHFFFAOYSA-N 0 3 320.353 2.439 20 5 DEBDHN C[C@@H]1CN(C)[C@@H](C)CN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000408102110 405112979 /nfs/dbraw/zinc/11/29/79/405112979.db2.gz ABALNKBEYQZPNO-DTWKUNHWSA-N 0 3 307.379 2.128 20 5 DEBDHN CCN1CCCN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000368326431 405236267 /nfs/dbraw/zinc/23/62/67/405236267.db2.gz GHRPBELHDUZABB-LBPRGKRZSA-N 0 3 323.368 2.392 20 5 DEBDHN COC1([C@H](C)NCc2ccc([N+](=O)[O-])cc2F)CCOCC1 ZINC000421025179 405433994 /nfs/dbraw/zinc/43/39/94/405433994.db2.gz DGGZZKKJEJWHRV-NSHDSACASA-N 0 3 312.341 2.408 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000421501920 405521458 /nfs/dbraw/zinc/52/14/58/405521458.db2.gz DMXIOIQWIIBNRA-TZMCWYRMSA-N 0 3 305.378 2.424 20 5 DEBDHN COc1cc(C(=O)N(C)C[C@H]2CCCN2C)cc([N+](=O)[O-])c1C ZINC000421715058 405610421 /nfs/dbraw/zinc/61/04/21/405610421.db2.gz XABCSUORPVBLOB-CYBMUJFWSA-N 0 3 321.377 2.078 20 5 DEBDHN CCOc1ccc([C@@H](C)NCCN2CCCC2=O)cc1[N+](=O)[O-] ZINC000568641182 292356785 /nfs/dbraw/zinc/35/67/85/292356785.db2.gz GBNZCSIZIJHSPT-GFCCVEGCSA-N 0 3 321.377 2.267 20 5 DEBDHN C[C@H](N[C@@]1(C)CCO[C@H]1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000494230015 405665294 /nfs/dbraw/zinc/66/52/94/405665294.db2.gz HBNGGAVJJKWTIL-PGUXBMHVSA-N 0 3 307.350 2.079 20 5 DEBDHN COC(=O)Cc1ccc(N[C@H]2CCCN(C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000450432618 405894054 /nfs/dbraw/zinc/89/40/54/405894054.db2.gz BCEDJKCHRTZMPE-AAEUAGOBSA-N 0 3 321.377 2.205 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](O)C12CCCC2 ZINC000433015955 405851382 /nfs/dbraw/zinc/85/13/82/405851382.db2.gz ZORDRRZMBNTECW-OAHLLOKOSA-N 0 3 306.362 2.483 20 5 DEBDHN O=[N+]([O-])c1ccc(CNC2(CO)CCSCC2)c(F)c1 ZINC000459720940 406019762 /nfs/dbraw/zinc/01/97/62/406019762.db2.gz GLDNGYOWFWJHTR-UHFFFAOYSA-N 0 3 300.355 2.082 20 5 DEBDHN C[C@@H](C(=O)N[C@H]1CCN(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000519853843 406262829 /nfs/dbraw/zinc/26/28/29/406262829.db2.gz LWCIQPXFVILDFW-YPMHNXCESA-N 0 3 303.362 2.051 20 5 DEBDHN Cc1cc(N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000488711251 406340508 /nfs/dbraw/zinc/34/05/08/406340508.db2.gz HMLOYISLUXJHRF-OUCADQQQSA-N 0 3 304.394 2.465 20 5 DEBDHN CSc1ccc(C(=O)NCCN2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000524776216 406459975 /nfs/dbraw/zinc/45/99/75/406459975.db2.gz DKTZXBUZLOMGTC-NSHDSACASA-N 0 3 323.418 2.388 20 5 DEBDHN C[C@@H]1CCN(CCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000524776271 406460505 /nfs/dbraw/zinc/46/05/05/406460505.db2.gz MLQFOUVUGSCIHN-CYBMUJFWSA-N 0 3 319.405 2.330 20 5 DEBDHN CC(C)(C)N1CCCN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000553339660 406751924 /nfs/dbraw/zinc/75/19/24/406751924.db2.gz NKEUXGXODQRETD-UHFFFAOYSA-N 0 3 320.393 2.004 20 5 DEBDHN O=[N+]([O-])c1ccc(CN2CCC[C@@H](N3CCOCC3)CC2)cc1 ZINC000556083947 406861292 /nfs/dbraw/zinc/86/12/92/406861292.db2.gz RDZJERRGINJGKP-MRXNPFEDSA-N 0 3 319.405 2.282 20 5 DEBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000134359858 196381777 /nfs/dbraw/zinc/38/17/77/196381777.db2.gz QRDKQXQRCXELDZ-LLVKDONJSA-N 0 3 309.341 2.148 20 5 DEBDHN Cc1cc(NC(=O)CCNCc2cccc([N+](=O)[O-])c2)no1 ZINC000517025063 421588882 /nfs/dbraw/zinc/58/88/82/421588882.db2.gz IGCNJWOPYOLYJY-UHFFFAOYSA-N 0 3 304.306 2.010 20 5 DEBDHN CN(C)CCNc1ccc(-c2cc([N+](=O)[O-])ccc2CO)cn1 ZINC000600783406 422412166 /nfs/dbraw/zinc/41/21/66/422412166.db2.gz VAYJOANRPHOOGU-UHFFFAOYSA-N 0 3 316.361 2.123 20 5 DEBDHN COc1ccc(CN[C@@H](C)c2cnccc2N)cc1[N+](=O)[O-] ZINC000422947142 533687030 /nfs/dbraw/zinc/68/70/30/533687030.db2.gz PUSKZHKOGDAACM-JTQLQIEISA-N 0 3 302.334 2.262 20 5 DEBDHN C[C@@H]1[C@@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)CCCN1C ZINC000343434388 424978411 /nfs/dbraw/zinc/97/84/11/424978411.db2.gz ALNFFMVSTYVQPQ-RISCZKNCSA-N 0 3 300.362 3.038 20 5 DEBDHN O=C(N[C@@H]1CCN(C2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000363683105 269069501 /nfs/dbraw/zinc/06/95/01/269069501.db2.gz PFJVKHKBCRAZAM-CYBMUJFWSA-N 0 3 303.362 2.342 20 5 DEBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000488753841 269146677 /nfs/dbraw/zinc/14/66/77/269146677.db2.gz SLPGRHMEHNSPQT-OUCADQQQSA-N 0 3 321.425 2.286 20 5 DEBDHN CN(C)C(=O)OC1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000495791650 269176003 /nfs/dbraw/zinc/17/60/03/269176003.db2.gz DUOMAYPLZRIAAD-UHFFFAOYSA-N 0 3 321.377 2.300 20 5 DEBDHN COCCOCCN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543506 274037213 /nfs/dbraw/zinc/03/72/13/274037213.db2.gz CCXILLCPIXPJJO-HNNXBMFYSA-N 0 3 308.378 2.437 20 5 DEBDHN O=[N+]([O-])c1cc2c(ncnc2N2CC[C@@H](N3CC=CC3)C2)s1 ZINC000287432533 275034070 /nfs/dbraw/zinc/03/40/70/275034070.db2.gz UUDBBIXAEJGHCC-SNVBAGLBSA-N 0 3 317.374 2.050 20 5 DEBDHN CC(C)c1ccc(CN[C@@]2(CCO)CCOC2)cc1[N+](=O)[O-] ZINC000447069468 275741144 /nfs/dbraw/zinc/74/11/44/275741144.db2.gz VZEXPBUSXXGJSK-INIZCTEOSA-N 0 3 308.378 2.349 20 5 DEBDHN CC(C)(C)c1ccc(C(=O)NC[C@@H]2C[C@H](F)CN2)cc1[N+](=O)[O-] ZINC000366555265 275846483 /nfs/dbraw/zinc/84/64/83/275846483.db2.gz MBTDLXAUZAKRSN-RYUDHWBXSA-N 0 3 323.368 2.322 20 5 DEBDHN CN1C[C@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCC1=O ZINC000192883581 277205245 /nfs/dbraw/zinc/20/52/45/277205245.db2.gz BJPMJNDSADCUEJ-DOMZBBRYSA-N 0 3 303.362 2.183 20 5 DEBDHN CC[C@H](c1ccncc1)N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000092225150 288170454 /nfs/dbraw/zinc/17/04/54/288170454.db2.gz NVYLWFMCORAJJX-OAHLLOKOSA-N 0 3 316.361 2.235 20 5 DEBDHN COc1cccc(C(=O)N(CCN(C)C)C(C)C)c1[N+](=O)[O-] ZINC000194747030 295283132 /nfs/dbraw/zinc/28/31/32/295283132.db2.gz PRDPSVGAGJYGMA-UHFFFAOYSA-N 0 3 309.366 2.016 20 5 DEBDHN COc1cccc(NC[C@H](O)CN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000355408496 295307301 /nfs/dbraw/zinc/30/73/01/295307301.db2.gz BMZZFTWICUPENH-ZDUSSCGKSA-N 0 3 323.393 2.108 20 5 DEBDHN C[C@H](C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000573744978 326088450 /nfs/dbraw/zinc/08/84/50/326088450.db2.gz WGNOWWYVCFZUKK-DYEKYZERSA-N 0 3 317.389 2.440 20 5 DEBDHN CS[C@H]1CN(c2ncc(C)cc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000575822124 326248835 /nfs/dbraw/zinc/24/88/35/326248835.db2.gz ZJEBJVZZBNJHGP-KGLIPLIRSA-N 0 3 322.434 2.314 20 5 DEBDHN COc1cc(CNC[C@]2(O)CCC[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000292981000 533886103 /nfs/dbraw/zinc/88/61/03/533886103.db2.gz LGSTUZJDLZAPGI-BDJLRTHQSA-N 0 3 324.377 2.253 20 5 DEBDHN CC(C)N(CCN(C)C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000157946055 519645222 /nfs/dbraw/zinc/64/52/22/519645222.db2.gz IGRQRYMKVSZIDG-UHFFFAOYSA-N 0 3 322.409 2.119 20 5 DEBDHN CC[C@H](C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-])N(C)C ZINC000125299330 523774992 /nfs/dbraw/zinc/77/49/92/523774992.db2.gz BNMGBSAXNUYDFL-CQSZACIVSA-N 0 3 322.409 2.162 20 5 DEBDHN CCN1C[C@@H](C)N(CCOc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000330831769 527932041 /nfs/dbraw/zinc/93/20/41/527932041.db2.gz JYGLSJWUJAIEQM-ZIAGYGMSSA-N 0 3 307.394 2.388 20 5 DEBDHN CC1(C)CCCN(CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000331310072 528936687 /nfs/dbraw/zinc/93/66/87/528936687.db2.gz YHCXLWNDJCITSI-UHFFFAOYSA-N 0 3 305.378 2.447 20 5 DEBDHN CCN1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000413415213 529034629 /nfs/dbraw/zinc/03/46/29/529034629.db2.gz UXZCCIUFQHKMJN-JKSUJKDBSA-N 0 3 317.389 2.253 20 5 DEBDHN CCN1CCC[C@H]1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000193565799 529106885 /nfs/dbraw/zinc/10/68/85/529106885.db2.gz FEZUEWUUYUUESL-LBPRGKRZSA-N 0 3 318.377 2.376 20 5 DEBDHN CCN1CCCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000355979262 535487700 /nfs/dbraw/zinc/48/77/00/535487700.db2.gz CRVZYOICFNVPEN-GFCCVEGCSA-N 0 3 321.377 2.208 20 5 DEBDHN CN(C)C[C@H]1CCCN1C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000492164478 535956347 /nfs/dbraw/zinc/95/63/47/535956347.db2.gz RDYCYMXWLFOLFG-IQCBXXCUSA-N 0 3 321.352 2.300 20 5 DEBDHN COC(=O)[C@]12CCC[C@H]1CN(Cc1cccc([N+](=O)[O-])c1)C2 ZINC000374650798 536842016 /nfs/dbraw/zinc/84/20/16/536842016.db2.gz YYWGFCPXYZTSFE-BBRMVZONSA-N 0 3 304.346 2.370 20 5 DEBDHN O=[N+]([O-])c1ccc(CC[NH2+]Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000738361750 598286803 /nfs/dbraw/zinc/28/68/03/598286803.db2.gz ZQWYVVAREFXLSX-UHFFFAOYSA-N 0 3 324.344 2.107 20 5 DEBDHN O=[N+]([O-])c1ccc(CC[NH2+]Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000738361750 598286805 /nfs/dbraw/zinc/28/68/05/598286805.db2.gz ZQWYVVAREFXLSX-UHFFFAOYSA-N 0 3 324.344 2.107 20 5 DEBDHN O=[N+]([O-])c1cccc(-c2noc([C@H]3CN4CCC[C@@H]4CO3)n2)c1 ZINC000923774589 625472457 /nfs/dbraw/zinc/47/24/57/625472457.db2.gz ZWKGNKLXWZGOMU-CHWSQXEVSA-N 0 3 316.317 2.181 20 5 DEBDHN C[C@@H](NC(=O)N1C[C@H](C)NC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000892816699 625629284 /nfs/dbraw/zinc/62/92/84/625629284.db2.gz WTZKTEQAGLRPJV-QJPTWQEYSA-N 0 3 306.366 2.048 20 5 DEBDHN COc1ccc(CCC(=O)OCC(C)[N+](=O)[O-])cc1Cl ZINC000813105098 623300672 /nfs/dbraw/zinc/30/06/72/623300672.db2.gz VPLKFFWVUDLHEO-SECBINFHSA-N 0 3 301.726 2.490 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@]1(C)CCOc2ccccc21 ZINC000933367987 624189684 /nfs/dbraw/zinc/18/96/84/624189684.db2.gz CLILDBHVOBIOAE-INIZCTEOSA-N 0 3 316.361 2.387 20 5 DEBDHN Cc1cc([N+](=O)[O-])c(C(=O)NCCN2CCCC2)cc1Cl ZINC000836251563 650071682 /nfs/dbraw/zinc/07/16/82/650071682.db2.gz WRNZJWYDZZEXAP-UHFFFAOYSA-N 0 3 311.769 2.382 20 5 DEBDHN Cc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CN(C)C[C@H]32)cc1Cl ZINC000836790371 650129768 /nfs/dbraw/zinc/12/97/68/650129768.db2.gz LBDGXJZRXXJLDH-IINYFYTJSA-N 0 3 323.780 2.333 20 5 DEBDHN COc1cc([N+](=O)[O-])cnc1NC[C@H]1CCCCN1C1CC1 ZINC000893515639 634078758 /nfs/dbraw/zinc/07/87/58/634078758.db2.gz LBAYZWVMNXYDRR-GFCCVEGCSA-N 0 3 306.366 2.427 20 5 DEBDHN CCC[C@]1(CO)CCCN1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894052736 636100158 /nfs/dbraw/zinc/10/01/58/636100158.db2.gz DRBUGURXLFLJBT-MRXNPFEDSA-N 0 3 324.377 2.436 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NCCN2CCCCC2)c1C ZINC000895733478 638177136 /nfs/dbraw/zinc/17/71/36/638177136.db2.gz XDRVVMNDZHBZKA-UHFFFAOYSA-N 0 3 305.378 2.427 20 5 DEBDHN COc1c(O)ccc(CNC[C@@H]2C[C@H]3CCC[C@H]3O2)c1[N+](=O)[O-] ZINC000895931165 638272632 /nfs/dbraw/zinc/27/26/32/638272632.db2.gz IBFOOOMKDDNMNB-SCDSUCTJSA-N 0 3 322.361 2.356 20 5 DEBDHN C[C@@H](N[C@@H](C)[C@@H]1CCS(=O)(=O)C1)c1ccccc1[N+](=O)[O-] ZINC000895944615 638280254 /nfs/dbraw/zinc/28/02/54/638280254.db2.gz UEOBEKWPBLTVJI-QJPTWQEYSA-N 0 3 312.391 2.069 20 5 DEBDHN COc1c(O)ccc(CN2CC[C@H]([C@H]3CCCO3)C2)c1[N+](=O)[O-] ZINC000896061208 638333096 /nfs/dbraw/zinc/33/30/96/638333096.db2.gz YTEMUIRYPPGEBZ-SMDDNHRTSA-N 0 3 322.361 2.310 20 5 DEBDHN C[C@@H](N[C@H]1CCCS(=O)(=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000896510393 638546347 /nfs/dbraw/zinc/54/63/47/638546347.db2.gz NOKRPUCRQSUJDF-YPMHNXCESA-N 0 3 312.391 2.213 20 5 DEBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2C[C@@H]3COC[C@@H]3O2)cc1Cl ZINC000896857858 638732013 /nfs/dbraw/zinc/73/20/13/638732013.db2.gz SRLZNZVDASZZMB-SUNKGSAMSA-N 0 3 312.753 2.142 20 5 DEBDHN O=[N+]([O-])c1ccc(CN[C@H](CO)C[C@H](O)c2ccccc2)cc1 ZINC000754079610 639382649 /nfs/dbraw/zinc/38/26/49/639382649.db2.gz JKXXYMNJQDLDIV-RDJZCZTQSA-N 0 3 316.357 2.169 20 5 DEBDHN O=[N+]([O-])c1ccc(Cl)c(CN[C@H](CO)[C@@H]2CCCOC2)c1 ZINC000839647596 639791401 /nfs/dbraw/zinc/79/14/01/639791401.db2.gz UPHUIVSZTDXXGO-QMTHXVAHSA-N 0 3 314.769 2.125 20 5 DEBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000757542000 639846015 /nfs/dbraw/zinc/84/60/15/639846015.db2.gz JHWSNVCSXMNNDI-QMTHXVAHSA-N 0 3 320.418 2.364 20 5 DEBDHN Cc1ccc(NC(=O)N(C)[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000929119088 640772035 /nfs/dbraw/zinc/77/20/35/640772035.db2.gz XTZQQVCPIHGEGQ-ZDUSSCGKSA-N 0 3 306.366 2.461 20 5 DEBDHN C[C@@H]1[C@@H](NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCN1C ZINC000925308575 640776095 /nfs/dbraw/zinc/77/60/95/640776095.db2.gz RQZFGEMJZRKOAC-KCJUWKMLSA-N 0 3 312.757 2.462 20 5 DEBDHN CCN1C[C@H](C)N(c2ccc([N+](=O)[O-])c3nonc32)C[C@H]1C ZINC000765635949 640803230 /nfs/dbraw/zinc/80/32/30/640803230.db2.gz OKGXAAWJTLNEJR-ZJUUUORDSA-N 0 3 305.338 2.050 20 5 DEBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC2CC(CCO)C2)c1 ZINC000898008839 640991934 /nfs/dbraw/zinc/99/19/34/640991934.db2.gz WWJGPTLAPDQEBT-UHFFFAOYSA-N 0 3 316.304 2.447 20 5 DEBDHN C[C@H](C[N+](=O)[O-])OC(=O)c1cccc(CN2CCCCC2)c1 ZINC000842367676 650718991 /nfs/dbraw/zinc/71/89/91/650718991.db2.gz MIVUIRXDTUGVCY-CYBMUJFWSA-N 0 3 306.362 2.495 20 5 DEBDHN CN(CCC(=O)OC(C)(C)C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776586044 642188253 /nfs/dbraw/zinc/18/82/53/642188253.db2.gz IENRDLIMWZFKNB-CQSZACIVSA-N 0 3 324.377 2.292 20 5 DEBDHN CCN1C[C@H](C)N(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000776597447 642191195 /nfs/dbraw/zinc/19/11/95/642191195.db2.gz MBWVOUDOUNSEAO-XEZPLFJOSA-N 0 3 307.394 2.043 20 5 DEBDHN O=[N+]([O-])c1ccccc1-c1cc(CN2CCC[C@@H]2CO)on1 ZINC000901394405 642647580 /nfs/dbraw/zinc/64/75/80/642647580.db2.gz GHPGTLBKHSYGPU-LLVKDONJSA-N 0 3 303.318 2.207 20 5 DEBDHN COc1cc([C@H](C)NCCNC(=O)C(C)C)cc([N+](=O)[O-])c1 ZINC000903058537 643232867 /nfs/dbraw/zinc/23/28/67/643232867.db2.gz RNHFBNBGTHSJJK-NSHDSACASA-N 0 3 309.366 2.026 20 5 DEBDHN C/C(=C\C(=O)N1CCN2CCC1CC2)c1ccc([N+](=O)[O-])cc1 ZINC000787523004 643502325 /nfs/dbraw/zinc/50/23/25/643502325.db2.gz IFVFWWZGXXOUIH-OUKQBFOZSA-N 0 3 315.373 2.305 20 5 DEBDHN C[C@@H](NC(=O)NC[C@@H]1CCCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000912152892 645966273 /nfs/dbraw/zinc/96/62/73/645966273.db2.gz JUCHLUHRCZALMM-DOMZBBRYSA-N 0 3 320.393 2.439 20 5 DEBDHN CC(C)N(C)CC(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913384806 646338997 /nfs/dbraw/zinc/33/89/97/646338997.db2.gz GUIZCURWLZAEIY-UHFFFAOYSA-N 0 3 317.748 2.344 20 5 DEBDHN CC(COC(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)[N+](=O)[O-] ZINC000813104230 646729685 /nfs/dbraw/zinc/72/96/85/646729685.db2.gz YMORTPNWFAYQSA-BWVDBABLSA-N 0 3 303.236 2.416 20 5 DEBDHN COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813106306 646729696 /nfs/dbraw/zinc/72/96/96/646729696.db2.gz AJTQKIPFMMYJDZ-CDMKHQONSA-N 0 3 309.318 2.016 20 5 DEBDHN COc1ccc(C(=O)C[C@H](C)C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813104858 646729715 /nfs/dbraw/zinc/72/97/15/646729715.db2.gz SKGLTIVOHOBHPL-WDEREUQCSA-N 0 3 309.318 2.113 20 5 DEBDHN COc1ccc(C[C@H](C)C(=O)OCC(C)[N+](=O)[O-])cc1OC ZINC000813105590 646729834 /nfs/dbraw/zinc/72/98/34/646729834.db2.gz PVGXAPZTKXOUAT-QWRGUYRKSA-N 0 3 311.334 2.091 20 5 DEBDHN CC(COC(=O)[C@@H]1CCCCN1Cc1ccccc1)[N+](=O)[O-] ZINC000813110142 646730400 /nfs/dbraw/zinc/73/04/00/646730400.db2.gz ZWHNFQDKFLAACE-ZFWWWQNUSA-N 0 3 306.362 2.250 20 5 DEBDHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])c(OCC2CC2)c1 ZINC000813113698 646732974 /nfs/dbraw/zinc/73/29/74/646732974.db2.gz SZCWYQHAVRXWAJ-JTQLQIEISA-N 0 3 309.318 2.306 20 5 DEBDHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])c(OCC2CC2)c1 ZINC000813113699 646733338 /nfs/dbraw/zinc/73/33/38/646733338.db2.gz SZCWYQHAVRXWAJ-SNVBAGLBSA-N 0 3 309.318 2.306 20 5 DEBDHN CC(COC(=O)c1cccc(F)c1Br)[N+](=O)[O-] ZINC000816091286 647090196 /nfs/dbraw/zinc/09/01/96/647090196.db2.gz QSVYQQPJMKVRED-ZCFIWIBFSA-N 0 3 306.087 2.410 20 5 DEBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000820273415 647816272 /nfs/dbraw/zinc/81/62/72/647816272.db2.gz UJTUVKFQEXMANP-GWCFXTLKSA-N 0 3 321.402 2.093 20 5 DEBDHN O=[N+]([O-])c1nccn1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000918377082 648073786 /nfs/dbraw/zinc/07/37/86/648073786.db2.gz BQUKAVNTJVXYOF-OAHLLOKOSA-N 0 3 316.361 2.082 20 5 DEBDHN C[C@H]1[C@@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CCN1C ZINC000925335373 648318341 /nfs/dbraw/zinc/31/83/41/648318341.db2.gz MVUQQYXBDYUCKY-AAEUAGOBSA-N 0 3 320.393 2.222 20 5 DEBDHN COC[C@](C)(O)CCNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000824559209 648610750 /nfs/dbraw/zinc/61/07/50/648610750.db2.gz KWZZRXATQBRKQJ-CYBMUJFWSA-N 0 3 302.758 2.125 20 5 DEBDHN Cc1cc(Cl)c(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000832697347 649736864 /nfs/dbraw/zinc/73/68/64/649736864.db2.gz ADQLSVGVLRZZRD-YGRLFVJLSA-N 0 3 323.780 2.333 20 5 DEBDHN Cc1cc(Cl)c(C(=O)N2CC[C@H]3CN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000832697345 649736935 /nfs/dbraw/zinc/73/69/35/649736935.db2.gz ADQLSVGVLRZZRD-IINYFYTJSA-N 0 3 323.780 2.333 20 5 DEBDHN CC([C@@H](OC(=O)c1ccn(C)n1)c1ccccc1F)[N+](=O)[O-] ZINC000845876986 651291512 /nfs/dbraw/zinc/29/15/12/651291512.db2.gz CTZGISSEUDQCKS-NOZJJQNGSA-N 0 3 307.281 2.123 20 5 DEBDHN COCCC1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000859401659 685722212 /nfs/dbraw/zinc/72/22/12/685722212.db2.gz WISNVCKOFIYEJQ-MRXNPFEDSA-N 0 3 308.378 2.377 20 5 DEBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])c(C)n1C[C@@H]1CCCOC1 ZINC000860776255 685960160 /nfs/dbraw/zinc/96/01/60/685960160.db2.gz CXRAYCVEYTUILO-OCCSQVGLSA-N 0 3 324.377 2.354 20 5 DEBDHN COCCN1CCC[C@H]1COC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000861033111 685987692 /nfs/dbraw/zinc/98/76/92/685987692.db2.gz GKGDJMAFXWGNSI-ZDUSSCGKSA-N 0 3 322.361 2.171 20 5 DEBDHN C[NH+]1CCC2(CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)CC1 ZINC000866054692 687426202 /nfs/dbraw/zinc/42/62/02/687426202.db2.gz HGUXORYZOXBDLJ-UHFFFAOYSA-N 0 3 306.366 2.008 20 5 DEBDHN CNc1c(C(=O)N2CCN(C)C(C)(C)CC2)cccc1[N+](=O)[O-] ZINC000871155784 688737648 /nfs/dbraw/zinc/73/76/48/688737648.db2.gz BFIBTTXTWMXXHQ-UHFFFAOYSA-N 0 3 320.393 2.193 20 5 DEBDHN CCN1CCC[C@@H]1CNC(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC000873840518 689316725 /nfs/dbraw/zinc/31/67/25/689316725.db2.gz SUIBBUVIYAOPTA-CYBMUJFWSA-N 0 3 305.378 2.426 20 5 DEBDHN O=[N+]([O-])c1ccc(N2CCN(CCC[C@@H]3CCO3)CC2)cc1 ZINC000876529473 689848218 /nfs/dbraw/zinc/84/82/18/689848218.db2.gz DOUVUBZDJFDRFU-MRXNPFEDSA-N 0 3 305.378 2.286 20 5 DEBDHN COCCN(CCC(=O)OC)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000876735673 689921386 /nfs/dbraw/zinc/92/13/86/689921386.db2.gz BBFVTZLMZRAHLS-UHFFFAOYSA-N 0 3 324.377 2.223 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN(C)[C@@H](C)CN1CCOCC1 ZINC000877485084 690127743 /nfs/dbraw/zinc/12/77/43/690127743.db2.gz KCMDYTNOFODMPK-AWEZNQCLSA-N 0 3 321.421 2.364 20 5 DEBDHN CN1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C(C)(C)C ZINC000878840555 690511661 /nfs/dbraw/zinc/51/16/61/690511661.db2.gz OGPQVXJPRUVOBR-CVEARBPZSA-N 0 3 321.421 2.290 20 5 DEBDHN O=[N+]([O-])c1ncccc1CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000886171635 692017287 /nfs/dbraw/zinc/01/72/87/692017287.db2.gz KQCJOYHAFQHIII-MJBXVCDLSA-N 0 3 303.362 2.427 20 5 DEBDHN C[C@@H](NC[C@@H](O)C[C@@](C)(O)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000932179241 694568824 /nfs/dbraw/zinc/56/88/24/694568824.db2.gz WNUKDELNKWNCSW-XFBWCDHKSA-N 0 3 308.378 2.157 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@H](c1ccccn1)C1CC1 ZINC000932387443 694604896 /nfs/dbraw/zinc/60/48/96/694604896.db2.gz YFAQQGXPOLSEFN-OAHLLOKOSA-N 0 3 301.350 2.236 20 5 DEBDHN CC(C)(C)OC(=O)NC[C@H](NCC[N+](=O)[O-])C1CCCCC1 ZINC001332726478 1149885315 /nfs/dbraw/zinc/88/53/15/1149885315.db2.gz KUJHBSRLCSNMEX-ZDUSSCGKSA-N 0 3 315.414 2.326 20 5 DEBDHN COc1c([O-])ccc(C[NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)c1[N+](=O)[O-] ZINC001334982349 1150362475 /nfs/dbraw/zinc/36/24/75/1150362475.db2.gz MVHHKTAKYQQOEM-SCRDCRAPSA-N 0 3 322.361 2.356 20 5 DEBDHN O=C([C@@H]1CNCc2ccccc21)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001345780442 1150915103 /nfs/dbraw/zinc/91/51/03/1150915103.db2.gz DGSCNZKJPPPQNB-QGZVFWFLSA-N 0 3 323.352 2.324 20 5 DEBDHN O=C(CCC1CCC1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001125379910 776861708 /nfs/dbraw/zinc/86/17/08/776861708.db2.gz JSVJOIMRCQRKOI-UHFFFAOYSA-N 0 3 305.378 2.381 20 5 DEBDHN CC1(C)CC(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)C1 ZINC001126601972 779826966 /nfs/dbraw/zinc/82/69/66/779826966.db2.gz USSYFOYRJYRHCK-UHFFFAOYSA-N 0 3 305.378 2.237 20 5 DEBDHN C[C@]1(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CN2CCC1CC2 ZINC001333623893 1150071412 /nfs/dbraw/zinc/07/14/12/1150071412.db2.gz MXRBLDQTEMCQCH-HNNXBMFYSA-N 0 3 323.780 2.462 20 5 DEBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N[C@H](CO)c2cc(F)ccc2F)C1 ZINC001169006498 785000547 /nfs/dbraw/zinc/00/05/47/785000547.db2.gz YESCNTGVLBHSDK-GLXFQSAKSA-N 0 3 300.305 2.033 20 5 DEBDHN O=C(C1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1)C(F)(F)F ZINC001169034575 785012097 /nfs/dbraw/zinc/01/20/97/785012097.db2.gz HZMMELIKYMPULO-MWLCHTKSSA-N 0 3 308.300 2.275 20 5 DEBDHN O=[N+]([O-])C[C@H]1CC[C@H](n2nc(C(F)(F)F)c3c2CNCC3)C1 ZINC001169042477 785014884 /nfs/dbraw/zinc/01/48/84/785014884.db2.gz DVMUYRBSYBWSRO-IUCAKERBSA-N 0 3 318.299 2.166 20 5 DEBDHN Cc1cc(Cl)nc(N2C[C@H]3CCCN(C)[C@H]3C2)c1[N+](=O)[O-] ZINC001157265337 786218252 /nfs/dbraw/zinc/21/82/52/786218252.db2.gz JHLOQGSEWOUHAE-MNOVXSKESA-N 0 3 310.785 2.482 20 5 DEBDHN COc1ccc(C[C@@H](C)n2cnc3c2CNCC3)c([N+](=O)[O-])c1 ZINC001170335932 786913758 /nfs/dbraw/zinc/91/37/58/786913758.db2.gz RQABBRYDHVWSMV-LLVKDONJSA-N 0 3 316.361 2.249 20 5 DEBDHN COc1ccc(C[C@@H](C)n2ncc3c2CCNC3)c([N+](=O)[O-])c1 ZINC001170335436 786913913 /nfs/dbraw/zinc/91/39/13/786913913.db2.gz NOBDREAPQCATFD-LLVKDONJSA-N 0 3 316.361 2.249 20 5 DEBDHN Cc1cc(C)c(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC001130311516 787343037 /nfs/dbraw/zinc/34/30/37/787343037.db2.gz XKPLOXNTIODUEA-UHFFFAOYSA-N 0 3 316.361 2.059 20 5 DEBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)C1CC2(CCC2)C1 ZINC001132587762 788140187 /nfs/dbraw/zinc/14/01/87/788140187.db2.gz SVIKSHKYAVSMEV-UHFFFAOYSA-N 0 3 317.389 2.381 20 5 DEBDHN NC(=O)[C@@H]1CCCCN1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172914475 793530840 /nfs/dbraw/zinc/53/08/40/793530840.db2.gz GWMRLBYHJVBJDT-ZBFHGGJFSA-N 0 3 317.389 2.182 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)n2cnc(CN)c2)c1F ZINC001173175486 793619468 /nfs/dbraw/zinc/61/94/68/793619468.db2.gz OJCIKQAFOWZDFQ-VIFPVBQESA-N 0 3 308.313 2.201 20 5 DEBDHN CC(=O)N1CCCN([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173228934 793644006 /nfs/dbraw/zinc/64/40/06/793644006.db2.gz NWOOXSYPVIGHFI-CYBMUJFWSA-N 0 3 305.378 2.080 20 5 DEBDHN O=C(CCc1ccco1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001123410030 795909079 /nfs/dbraw/zinc/90/90/79/795909079.db2.gz DBIXVKKWLORPOZ-UHFFFAOYSA-N 0 3 317.345 2.026 20 5 DEBDHN Cc1nc(N2CCN[C@@H](c3ccc(O)cc3)C2)ccc1[N+](=O)[O-] ZINC001187496565 796543178 /nfs/dbraw/zinc/54/31/78/796543178.db2.gz HJVGZIXFKFUKRZ-CQSZACIVSA-N 0 3 314.345 2.155 20 5 DEBDHN COCC[C@@](C)(O)CNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000230247682 796775516 /nfs/dbraw/zinc/77/55/16/796775516.db2.gz WBHASSZBOSGVBW-CYBMUJFWSA-N 0 3 302.758 2.125 20 5 DEBDHN O=C(CCC1CC1)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001155957233 797890539 /nfs/dbraw/zinc/89/05/39/797890539.db2.gz BRYDESFABCRFMA-UHFFFAOYSA-N 0 3 305.378 2.381 20 5 DEBDHN O=[N+]([O-])c1cc(F)cnc1N1CCNC[C@H]1c1cccs1 ZINC001156089489 797923443 /nfs/dbraw/zinc/92/34/43/797923443.db2.gz NJDDQRVLSGEZJW-NSHDSACASA-N 0 3 308.338 2.341 20 5 DEBDHN Cc1cc([N+](=O)[O-])cnc1-n1nc(-c2ccncc2)cc1CN ZINC001160338334 798677216 /nfs/dbraw/zinc/67/72/16/798677216.db2.gz XJKMVJPLJQYGIF-UHFFFAOYSA-N 0 3 310.317 2.005 20 5 DEBDHN CC(C)N1CCN(c2cnc3cc([N+](=O)[O-])ccc3n2)C[C@H]1C ZINC001165199367 799670795 /nfs/dbraw/zinc/67/07/95/799670795.db2.gz RTCLYERANMGKLK-GFCCVEGCSA-N 0 3 315.377 2.457 20 5 DEBDHN CC(C)C[C@@H]1CN(C)CCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000933251950 800053217 /nfs/dbraw/zinc/05/32/17/800053217.db2.gz NCMRKURXGCVADH-SJORKVTESA-N 0 3 321.421 2.290 20 5 DEBDHN COC(=O)c1c(OC2CCN(C3CC3)CC2)cccc1[N+](=O)[O-] ZINC001229045963 801213901 /nfs/dbraw/zinc/21/39/01/801213901.db2.gz PUSKVZWPNSRUKM-UHFFFAOYSA-N 0 3 320.345 2.387 20 5 DEBDHN CN1CC[C@@H](Oc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC001229145114 801230836 /nfs/dbraw/zinc/23/08/36/801230836.db2.gz JGOXEKIEKWHVEE-SNVBAGLBSA-N 0 3 301.140 2.440 20 5 DEBDHN CC(COC(=O)c1cc(-c2ccc(F)cc2)n(C)n1)[N+](=O)[O-] ZINC001344806297 1150843079 /nfs/dbraw/zinc/84/30/79/1150843079.db2.gz BSUGDRMCBGVCIB-VIFPVBQESA-N 0 3 307.281 2.048 20 5 DEBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCCC[C@]23CCOC3)cc1 ZINC001460959298 1058552258 /nfs/dbraw/zinc/55/22/58/1058552258.db2.gz MRBLFLXXMWJJDK-JKSUJKDBSA-N 0 3 306.362 2.273 20 5 DEBDHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)C(C)(C)F ZINC001568719631 1065073684 /nfs/dbraw/zinc/07/36/84/1065073684.db2.gz PUHIWADBNILCEA-UHFFFAOYSA-N 0 3 311.357 2.281 20 5 DEBDHN CC(C)c1n[nH]c(C(=O)N[C@@H]2CCCN(C(C)C)C2)c1[N+](=O)[O-] ZINC001632477132 1078384028 /nfs/dbraw/zinc/38/40/28/1078384028.db2.gz HMUBNCOGPXMEKZ-LLVKDONJSA-N 0 3 323.397 2.044 20 5 DEBDHN CN(CCCNCc1csc([N+](=O)[O-])c1)C(=O)c1cc[nH]c1 ZINC001498548876 1066774271 /nfs/dbraw/zinc/77/42/71/1066774271.db2.gz OIFJMLGUMLXASL-UHFFFAOYSA-N 0 3 322.390 2.236 20 5 DEBDHN Cc1cc(F)cc(C(=O)Nc2ncccc2CN)c1[N+](=O)[O-] ZINC001579612125 1067385381 /nfs/dbraw/zinc/38/53/81/1067385381.db2.gz FHYPZPGOFWUOSC-UHFFFAOYSA-N 0 3 304.281 2.148 20 5 DEBDHN CC[C@@H](C)N[C@@H](CNc1nn(C)cc1[N+](=O)[O-])c1ccco1 ZINC001559187750 1075114522 /nfs/dbraw/zinc/11/45/22/1075114522.db2.gz YBRRPAXBFQYAKF-MNOVXSKESA-N 0 3 307.354 2.463 20 5 DEBDHN O=C(Nc1ccnc([C@H]2CCCN2)n1)c1csc([N+](=O)[O-])c1 ZINC001580785335 1075994748 /nfs/dbraw/zinc/99/47/48/1075994748.db2.gz OQFSZOAIBBXJOK-SECBINFHSA-N 0 3 319.346 2.123 20 5 DEBDHN Cc1[nH]cnc1CC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC001587259740 1076415062 /nfs/dbraw/zinc/41/50/62/1076415062.db2.gz FLZYJBHGGMGDQQ-UHFFFAOYSA-N 0 3 316.361 2.308 20 5 DEBDHN C[C@H]1CCC[N@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1 ZINC001590261577 1076603919 /nfs/dbraw/zinc/60/39/19/1076603919.db2.gz PDFGKEFDSREFBC-NSHDSACASA-N 0 3 316.365 2.397 20 5 DEBDHN C[C@H]1CCC[N@@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1 ZINC001590261577 1076603921 /nfs/dbraw/zinc/60/39/21/1076603921.db2.gz PDFGKEFDSREFBC-NSHDSACASA-N 0 3 316.365 2.397 20 5 DEBDHN C[C@H]1CCC[N@H+](Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC1 ZINC001590261577 1076603923 /nfs/dbraw/zinc/60/39/23/1076603923.db2.gz PDFGKEFDSREFBC-NSHDSACASA-N 0 3 316.365 2.397 20 5 DEBDHN C[C@H]1CCC[N@@H+](Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC1 ZINC001590261577 1076603925 /nfs/dbraw/zinc/60/39/25/1076603925.db2.gz PDFGKEFDSREFBC-NSHDSACASA-N 0 3 316.365 2.397 20 5 DEBDHN C[C@@H]1[C@H](C)C[N@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@H]1C ZINC001590309994 1076609091 /nfs/dbraw/zinc/60/90/91/1076609091.db2.gz RRNWBFRVYWPZME-MXWKQRLJSA-N 0 3 316.365 2.251 20 5 DEBDHN C[C@@H]1[C@H](C)C[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@H]1C ZINC001590309994 1076609094 /nfs/dbraw/zinc/60/90/94/1076609094.db2.gz RRNWBFRVYWPZME-MXWKQRLJSA-N 0 3 316.365 2.251 20 5 DEBDHN C[C@@H]1[C@H](C)C[N@H+](Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@H]1C ZINC001590309994 1076609095 /nfs/dbraw/zinc/60/90/95/1076609095.db2.gz RRNWBFRVYWPZME-MXWKQRLJSA-N 0 3 316.365 2.251 20 5 DEBDHN C[C@@H]1[C@H](C)C[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@H]1C ZINC001590309994 1076609098 /nfs/dbraw/zinc/60/90/98/1076609098.db2.gz RRNWBFRVYWPZME-MXWKQRLJSA-N 0 3 316.365 2.251 20 5 DEBDHN CCC[N@@H+](Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])CC1CC1 ZINC001590627984 1076662960 /nfs/dbraw/zinc/66/29/60/1076662960.db2.gz OBHVWZMAVJJDNN-UHFFFAOYSA-N 0 3 316.365 2.397 20 5 DEBDHN CCC[N@H+](Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])CC1CC1 ZINC001590627984 1076662965 /nfs/dbraw/zinc/66/29/65/1076662965.db2.gz OBHVWZMAVJJDNN-UHFFFAOYSA-N 0 3 316.365 2.397 20 5 DEBDHN CCC[N@@H+](Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])CC1CC1 ZINC001590627984 1076662966 /nfs/dbraw/zinc/66/29/66/1076662966.db2.gz OBHVWZMAVJJDNN-UHFFFAOYSA-N 0 3 316.365 2.397 20 5 DEBDHN CCC[N@H+](Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])CC1CC1 ZINC001590627984 1076662968 /nfs/dbraw/zinc/66/29/68/1076662968.db2.gz OBHVWZMAVJJDNN-UHFFFAOYSA-N 0 3 316.365 2.397 20 5 DEBDHN CC(C)C[N@H+](Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C1CC1 ZINC001609095459 1077760978 /nfs/dbraw/zinc/76/09/78/1077760978.db2.gz SOWUQRBKBMTVOJ-UHFFFAOYSA-N 0 3 316.365 2.395 20 5 DEBDHN CC(C)C[N@@H+](Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C1CC1 ZINC001609095459 1077760983 /nfs/dbraw/zinc/76/09/83/1077760983.db2.gz SOWUQRBKBMTVOJ-UHFFFAOYSA-N 0 3 316.365 2.395 20 5 DEBDHN CC(C)C[N@H+](Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C1CC1 ZINC001609095459 1077760989 /nfs/dbraw/zinc/76/09/89/1077760989.db2.gz SOWUQRBKBMTVOJ-UHFFFAOYSA-N 0 3 316.365 2.395 20 5 DEBDHN CC(C)C[N@@H+](Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C1CC1 ZINC001609095459 1077760992 /nfs/dbraw/zinc/76/09/92/1077760992.db2.gz SOWUQRBKBMTVOJ-UHFFFAOYSA-N 0 3 316.365 2.395 20 5 DEBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC001609602032 1077882534 /nfs/dbraw/zinc/88/25/34/1077882534.db2.gz CCUDORDZUTZTRN-NSHDSACASA-N 0 3 314.349 2.007 20 5 DEBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1C[N@H+]1CC[C@H](C2CC2)C1 ZINC001609602032 1077882536 /nfs/dbraw/zinc/88/25/36/1077882536.db2.gz CCUDORDZUTZTRN-NSHDSACASA-N 0 3 314.349 2.007 20 5 DEBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC001609602032 1077882538 /nfs/dbraw/zinc/88/25/38/1077882538.db2.gz CCUDORDZUTZTRN-NSHDSACASA-N 0 3 314.349 2.007 20 5 DEBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1C[N@H+]1CC[C@H](C2CC2)C1 ZINC001609602032 1077882542 /nfs/dbraw/zinc/88/25/42/1077882542.db2.gz CCUDORDZUTZTRN-NSHDSACASA-N 0 3 314.349 2.007 20 5 DEBDHN COc1cc(C[NH2+]C[C@]2(C)CCCC[C@@H]2O)c([N+](=O)[O-])cc1[O-] ZINC001650660150 1079766221 /nfs/dbraw/zinc/76/62/21/1079766221.db2.gz YKACPLPSKIHCGE-HOTGVXAUSA-N 0 3 324.377 2.340 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN(CCO)[C@@H](C)c1ccccc1 ZINC001652954430 1079907360 /nfs/dbraw/zinc/90/73/60/1079907360.db2.gz NDTIVOATSMZNIU-ZDUSSCGKSA-N 0 3 318.377 2.155 20 5 DEBDHN CC(C)N(C)CC(=O)NC/C=C/CNc1ccc([N+](=O)[O-])cc1 ZINC001107233173 1080687928 /nfs/dbraw/zinc/68/79/28/1080687928.db2.gz LTIZKWOSYIZATI-SNAWJCMRSA-N 0 3 320.393 2.019 20 5 DEBDHN Cc1coc(C(=O)N(C)CCNCc2ccc([N+](=O)[O-])cc2)c1 ZINC001493661711 1087240911 /nfs/dbraw/zinc/24/09/11/1087240911.db2.gz FGYQZNNOSGBAEG-UHFFFAOYSA-N 0 3 317.345 2.358 20 5 DEBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCNC[C@H]1C(F)(F)F ZINC001246985757 1141218742 /nfs/dbraw/zinc/21/87/42/1141218742.db2.gz BVNBEGCMZWRTTG-GWCFXTLKSA-N 0 3 317.311 2.362 20 5 DEBDHN O=[N+]([O-])c1ccc(N2CCC(NCc3cnoc3)CC2)cc1 ZINC001254467126 1143129640 /nfs/dbraw/zinc/12/96/40/1143129640.db2.gz ZDEXYWGSHCKUGX-UHFFFAOYSA-N 0 3 302.334 2.341 20 5 DEBDHN O=[N+]([O-])c1ccc(N2CCC(N3CCCC34COC4)CC2)cc1 ZINC001254479240 1143130554 /nfs/dbraw/zinc/13/05/54/1143130554.db2.gz UJXVGMKSZOFDGU-UHFFFAOYSA-N 0 3 317.389 2.428 20 5 DEBDHN CCOCCN(CCOCC)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254602441 1143276492 /nfs/dbraw/zinc/27/64/92/1143276492.db2.gz FXBFESRJBFDUTP-QGZVFWFLSA-N 0 3 322.405 2.437 20 5 DEBDHN COc1c([O-])ccc(C[NH2+][C@@H](C)Cc2ccncc2)c1[N+](=O)[O-] ZINC001262362462 1144308931 /nfs/dbraw/zinc/30/89/31/1144308931.db2.gz RBZGDDGDFUXCCJ-NSHDSACASA-N 0 3 317.345 2.425 20 5 DEBDHN COc1ccc(NC(=O)[C@H](N)C2CCCCC2)cc1[N+](=O)[O-] ZINC001326304917 1148074392 /nfs/dbraw/zinc/07/43/92/1148074392.db2.gz AWNBVVGEGGJIDF-CQSZACIVSA-N 0 3 307.350 2.450 20 5 DEBDHN Cc1nc2n(n1)C[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000178224306 282125598 /nfs/dbraw/zinc/12/55/98/282125598.db2.gz RBARMANRCSUWMC-GXFFZTMASA-N 0 3 301.350 2.160 20 5 DEBDHN CN(C[C@H]1CCCN1C)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000092627020 185330015 /nfs/dbraw/zinc/33/00/15/185330015.db2.gz MWDWYULXGMGYAP-LLVKDONJSA-N 0 3 311.769 2.414 20 5 DEBDHN Cc1cc(C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)cc([N+](=O)[O-])c1 ZINC000272609611 210008418 /nfs/dbraw/zinc/00/84/18/210008418.db2.gz ZQKHPFYDXHXXHF-DOMZBBRYSA-N 0 3 303.362 2.069 20 5 DEBDHN C[C@@H](NC(=O)NC[C@H]1CCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000139725569 186023644 /nfs/dbraw/zinc/02/36/44/186023644.db2.gz GZNDWDBXUSCZSF-BXUZGUMPSA-N 0 3 306.366 2.049 20 5 DEBDHN CN(C)[C@@H]1CCCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000149223161 186048709 /nfs/dbraw/zinc/04/87/09/186048709.db2.gz KZKKUTXSZOETPF-SNVBAGLBSA-N 0 3 311.769 2.414 20 5 DEBDHN CS[C@H]1CN(C(=O)c2cccc(C)c2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000270467141 186398723 /nfs/dbraw/zinc/39/87/23/186398723.db2.gz LLEMBVKSHHLMKH-STQMWFEESA-N 0 3 323.418 2.021 20 5 DEBDHN O=C1C[C@H]([C@H]2CCCCN2Cc2ccc([N+](=O)[O-])cc2F)CN1 ZINC000331954660 234314911 /nfs/dbraw/zinc/31/49/11/234314911.db2.gz TWAYUQQAAOKZRD-SWLSCSKDSA-N 0 3 321.352 2.225 20 5 DEBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)N(C)C ZINC000033093467 354156525 /nfs/dbraw/zinc/15/65/25/354156525.db2.gz DRYXYXCBNHOPOH-GHMZBOCLSA-N 0 3 311.407 2.142 20 5 DEBDHN CCN1CCC(N(C)C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000043065892 354212358 /nfs/dbraw/zinc/21/23/58/354212358.db2.gz OJTZZBIUESNLBB-UHFFFAOYSA-N 0 3 305.378 2.080 20 5 DEBDHN CC(C)N1CCCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000068775546 354831447 /nfs/dbraw/zinc/83/14/47/354831447.db2.gz BDKOJCPXQVMZES-UHFFFAOYSA-N 0 3 309.341 2.290 20 5 DEBDHN CC(=O)c1ccc(N2CC[C@H]3CC[C@@H](C2)N3C)c([N+](=O)[O-])c1 ZINC000075061425 355066718 /nfs/dbraw/zinc/06/67/18/355066718.db2.gz JLBKJXDDEBYDKR-KGLIPLIRSA-N 0 3 303.362 2.470 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(NC[C@@H](O)CN2CCC(C)CC2)c1 ZINC000088721730 355518375 /nfs/dbraw/zinc/51/83/75/355518375.db2.gz YEUVLNKZGUIAFA-CQSZACIVSA-N 0 3 307.394 2.408 20 5 DEBDHN COC(=O)[C@@H](C)CN(CCOc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000171299262 355999988 /nfs/dbraw/zinc/99/99/88/355999988.db2.gz MSCXKEAAQTUUNJ-LBPRGKRZSA-N 0 3 322.361 2.247 20 5 DEBDHN COC(=O)[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000280182220 356363983 /nfs/dbraw/zinc/36/39/83/356363983.db2.gz GVHLRKHCDFFGCN-RCOIXESOSA-N 0 3 304.346 2.349 20 5 DEBDHN O=[N+]([O-])c1cccc(CNC[C@H](O)COCc2cccs2)c1 ZINC000315605179 356424943 /nfs/dbraw/zinc/42/49/43/356424943.db2.gz LSGUFOBCMVPPHU-AWEZNQCLSA-N 0 3 322.386 2.324 20 5 DEBDHN Cc1cc(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)ncn1 ZINC000618572268 363531192 /nfs/dbraw/zinc/53/11/92/363531192.db2.gz DRMGBKYVOURNOZ-UONOGXRCSA-N 0 3 316.365 2.163 20 5 DEBDHN C[C@@H]1COCCCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000591020009 357661773 /nfs/dbraw/zinc/66/17/73/357661773.db2.gz YBYQHBGXNSROSB-GFCCVEGCSA-N 0 3 307.350 2.034 20 5 DEBDHN COc1cc(C(=O)N(C)CCN2CCCCC2)ccc1[N+](=O)[O-] ZINC000593885045 358164972 /nfs/dbraw/zinc/16/49/72/358164972.db2.gz ZRBYIZYHBDLFKX-UHFFFAOYSA-N 0 3 321.377 2.161 20 5 DEBDHN O=C(N[C@H]1CCCN2CCCC[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC000594203881 358223195 /nfs/dbraw/zinc/22/31/95/358223195.db2.gz VGISQHJLZOYPMH-GJZGRUSLSA-N 0 3 303.362 2.342 20 5 DEBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CCN(C(C)(C)CC)CC1 ZINC000594590872 358299329 /nfs/dbraw/zinc/29/93/29/358299329.db2.gz HCLAKANVICHZHQ-UHFFFAOYSA-N 0 3 309.414 2.430 20 5 DEBDHN CO[C@@]1(C)C[C@H]1NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000594997132 358375794 /nfs/dbraw/zinc/37/57/94/358375794.db2.gz YCXVXUVOJCZKMF-ZBFHGGJFSA-N 0 3 316.361 2.262 20 5 DEBDHN CC(C)(CNCc1cccc([N+](=O)[O-])c1)[C@@]1(O)CCCOC1 ZINC000594997340 358375987 /nfs/dbraw/zinc/37/59/87/358375987.db2.gz VQBKNOUEFVXVDC-MRXNPFEDSA-N 0 3 308.378 2.252 20 5 DEBDHN CC(C)(CNCc1ccccc1[N+](=O)[O-])[C@]1(O)CCCOC1 ZINC000594997356 358376226 /nfs/dbraw/zinc/37/62/26/358376226.db2.gz WHCVWRRVSBLAAO-INIZCTEOSA-N 0 3 308.378 2.252 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H]1CCN(C2CC2)C1 ZINC000595012108 358377735 /nfs/dbraw/zinc/37/77/35/358377735.db2.gz NQJNRJSHUDZPMG-VXGBXAGGSA-N 0 3 305.378 2.491 20 5 DEBDHN CCn1cc(CN[C@H](C)CCc2ccccc2[N+](=O)[O-])nn1 ZINC000595068296 358386754 /nfs/dbraw/zinc/38/67/54/358386754.db2.gz JHFIJEQKYNHFKP-GFCCVEGCSA-N 0 3 303.366 2.317 20 5 DEBDHN O=C1CCCN1C[C@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000595831974 358559397 /nfs/dbraw/zinc/55/93/97/358559397.db2.gz OGFXSZRXWKKECU-HNNXBMFYSA-N 0 3 317.389 2.082 20 5 DEBDHN CCCN1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000596480486 358695673 /nfs/dbraw/zinc/69/56/73/358695673.db2.gz DMZWCCPKJOSIHQ-JTQLQIEISA-N 0 3 310.329 2.340 20 5 DEBDHN O=C1CC[C@@H]2CN(C/C=C/c3ccccc3[N+](=O)[O-])CC[C@H]2N1 ZINC000597206644 358854311 /nfs/dbraw/zinc/85/43/11/358854311.db2.gz PSGGQUGEPXVPCH-UJOCRUBTSA-N 0 3 315.373 2.209 20 5 DEBDHN CC1=C(C)CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000280812327 215885689 /nfs/dbraw/zinc/88/56/89/215885689.db2.gz TYSMOMOIYJJMIS-OAHLLOKOSA-N 0 3 306.362 2.377 20 5 DEBDHN CCCN1CCC(Nc2nccc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000598588846 359251850 /nfs/dbraw/zinc/25/18/50/359251850.db2.gz LSTHSURYCYLVDP-UHFFFAOYSA-N 0 3 322.365 2.063 20 5 DEBDHN O=[N+]([O-])c1cc(CNC[C@@H]2CCCN2CC(F)F)cs1 ZINC000598988396 359376751 /nfs/dbraw/zinc/37/67/51/359376751.db2.gz RFLCRFKURJPACR-JTQLQIEISA-N 0 3 305.350 2.475 20 5 DEBDHN CCN(C)C(=O)[C@H](C)N[C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000189397392 200393898 /nfs/dbraw/zinc/39/38/98/200393898.db2.gz QLTHEEYTJMQMPX-STQMWFEESA-N 0 3 307.394 2.372 20 5 DEBDHN O=[N+]([O-])c1ccc2oc(CN[C@H]3CCN(CC4CC4)C3)nc2c1 ZINC000602568070 360437508 /nfs/dbraw/zinc/43/75/08/360437508.db2.gz VUDKGAFQLJJLLP-LBPRGKRZSA-N 0 3 316.361 2.310 20 5 DEBDHN C[C@H](CNCc1cc(Br)c([N+](=O)[O-])s1)N(C)C ZINC000602594243 360448495 /nfs/dbraw/zinc/44/84/95/360448495.db2.gz PGRUMFNDOVIPRV-SSDOTTSWSA-N 0 3 322.228 2.459 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)C[C@@H]1CCCC(=O)N1 ZINC000602548306 360427001 /nfs/dbraw/zinc/42/70/01/360427001.db2.gz DTKCBJHTCSZKRV-YPMHNXCESA-N 0 3 321.377 2.140 20 5 DEBDHN C[C@H]1COCC[C@H]1CNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602653043 360477326 /nfs/dbraw/zinc/47/73/26/360477326.db2.gz GZIBICPEBBLMIF-QWRGUYRKSA-N 0 3 305.334 2.498 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)[C@H](C)c1cccc(O)c1 ZINC000602791331 360556251 /nfs/dbraw/zinc/55/62/51/360556251.db2.gz FFGISHWKMKWGLK-LLVKDONJSA-N 0 3 304.350 2.498 20 5 DEBDHN COC[C@@H](NCCn1c(C)ncc1[N+](=O)[O-])c1ccccc1 ZINC000602805360 360564715 /nfs/dbraw/zinc/56/47/15/360564715.db2.gz KQMLZNSJEAMMKI-CQSZACIVSA-N 0 3 304.350 2.077 20 5 DEBDHN O=[N+]([O-])c1ccccc1CN[C@@H]([C@H]1CCCO1)C1(CO)CCC1 ZINC000602891151 360612978 /nfs/dbraw/zinc/61/29/78/360612978.db2.gz LFTJKQCONBDQCX-CVEARBPZSA-N 0 3 320.389 2.395 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H](C)C(F)(F)[C@H](C)C1 ZINC000602914690 360623538 /nfs/dbraw/zinc/62/35/38/360623538.db2.gz FEDUDMAYCSKTLI-NXEZZACHSA-N 0 3 302.325 2.323 20 5 DEBDHN COc1ccc(OCCN2CCC[C@@H](CCO)C2)c([N+](=O)[O-])c1 ZINC000610368726 361390751 /nfs/dbraw/zinc/39/07/51/361390751.db2.gz GNUVDSLWPYVKRY-ZDUSSCGKSA-N 0 3 324.377 2.077 20 5 DEBDHN CCN(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@@H]1CCOC1 ZINC000611256715 361563571 /nfs/dbraw/zinc/56/35/71/361563571.db2.gz RURRKVAFTWNEEC-LBPRGKRZSA-N 0 3 322.361 2.224 20 5 DEBDHN Cc1c([C@H](C)N[C@@H](C)[C@H]2CN(C)CCO2)cccc1[N+](=O)[O-] ZINC000611336918 361581207 /nfs/dbraw/zinc/58/12/07/361581207.db2.gz IHSCOTQHUKTSSS-HEHGZKQESA-N 0 3 307.394 2.273 20 5 DEBDHN CCN1CCC[C@H]1CN(C)C(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000194792692 201289749 /nfs/dbraw/zinc/28/97/49/201289749.db2.gz UYLSLQVJDPALLE-ZDUSSCGKSA-N 0 3 305.378 2.460 20 5 DEBDHN CC[C@@H]1CN(C)CCCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000619567146 363828100 /nfs/dbraw/zinc/82/81/00/363828100.db2.gz VGULWEMTQZSEIB-CQSZACIVSA-N 0 3 305.378 2.080 20 5 DEBDHN CO[C@H]1C[C@@H](NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1(C)C ZINC000451496063 243026452 /nfs/dbraw/zinc/02/64/52/243026452.db2.gz LRIMKCFKEWJVGG-KGLIPLIRSA-N 0 3 321.377 2.245 20 5 DEBDHN O=C1CCCN1CCN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451542884 243089754 /nfs/dbraw/zinc/08/97/54/243089754.db2.gz ANYKVKWJQRPDHW-OAHLLOKOSA-N 0 3 317.389 2.397 20 5 DEBDHN CCNC(=O)CCN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451549082 243095782 /nfs/dbraw/zinc/09/57/82/243095782.db2.gz OWJXWHDPUFRWKA-CQSZACIVSA-N 0 3 305.378 2.300 20 5 DEBDHN Cc1c([C@H](C)NCCN2C[C@H]3CC[C@@H](C2)O3)cccc1[N+](=O)[O-] ZINC000453325312 245077426 /nfs/dbraw/zinc/07/74/26/245077426.db2.gz CMZLDGQSSUNQLG-SOUVJXGZSA-N 0 3 319.405 2.417 20 5 DEBDHN Cc1cc(N2CC(N(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000271730120 209162668 /nfs/dbraw/zinc/16/26/68/209162668.db2.gz MUWQTYLSMIVXET-UHFFFAOYSA-N 0 3 313.361 2.110 20 5 DEBDHN Cc1ccc(CNCCn2cnnc2C2CC2)cc1[N+](=O)[O-] ZINC000156232004 291616616 /nfs/dbraw/zinc/61/66/16/291616616.db2.gz RHKGQWIJOSDKKM-UHFFFAOYSA-N 0 3 301.350 2.162 20 5 DEBDHN CN(C(=O)CCc1cccc([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000267921718 206338066 /nfs/dbraw/zinc/33/80/66/206338066.db2.gz KDBZYTGAZLNFPE-UHFFFAOYSA-N 0 3 305.378 2.080 20 5 DEBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000492160389 249009011 /nfs/dbraw/zinc/00/90/11/249009011.db2.gz FPUZIEKVCODCHH-QPELIKNSSA-N 0 3 315.373 2.207 20 5 DEBDHN CN(CCN(C)C1CC1)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000492715335 249122994 /nfs/dbraw/zinc/12/29/94/249122994.db2.gz ZABVMDJTWRWXNV-TWGQIWQCSA-N 0 3 303.362 2.161 20 5 DEBDHN CN(C)C[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000104413255 194006215 /nfs/dbraw/zinc/00/62/15/194006215.db2.gz RXGJKLSIDDOTDR-LBPRGKRZSA-N 0 3 309.341 2.290 20 5 DEBDHN C[C@@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000119849896 195048338 /nfs/dbraw/zinc/04/83/38/195048338.db2.gz UIGOTDIHGKNQPF-PWSUYJOCSA-N 0 3 304.350 2.342 20 5 DEBDHN C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000272986636 210366714 /nfs/dbraw/zinc/36/67/14/210366714.db2.gz PIXLUSOMBGHSAJ-NSHDSACASA-N 0 3 304.350 2.367 20 5 DEBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CC[C@@H]3CCCO3)C2)nc1 ZINC000189677520 285135993 /nfs/dbraw/zinc/13/59/93/285135993.db2.gz NRUSXUMPWZZOTF-JSGCOSHPSA-N 0 3 306.366 2.045 20 5 DEBDHN O=[N+]([O-])c1ccccc1N1CCN(CC2CCOCC2)CC1 ZINC000264900921 285163383 /nfs/dbraw/zinc/16/33/83/285163383.db2.gz KAWDGHFHPRQGQK-UHFFFAOYSA-N 0 3 305.378 2.143 20 5 DEBDHN O=[N+]([O-])c1ccn(CCN[C@H]2CCCc3c(O)cccc32)n1 ZINC000192365581 285168466 /nfs/dbraw/zinc/16/84/66/285168466.db2.gz UWKFHVPEWGRKPC-ZDUSSCGKSA-N 0 3 302.334 2.164 20 5 DEBDHN CC(=O)N1CC[C@@H](CN(C)Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000156509884 197119409 /nfs/dbraw/zinc/11/94/09/197119409.db2.gz ZTTDYIFEPDDPFI-AWEZNQCLSA-N 0 3 305.378 2.203 20 5 DEBDHN C[C@H](NCC(C)(C)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000154969131 197009062 /nfs/dbraw/zinc/00/90/62/197009062.db2.gz JRUYDWZFPOTRQZ-ZDUSSCGKSA-N 0 3 307.394 2.356 20 5 DEBDHN COC[C@@H](N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000542526331 285231818 /nfs/dbraw/zinc/23/18/18/285231818.db2.gz VWCPRSIWFKRLMR-BXUZGUMPSA-N 0 3 309.366 2.182 20 5 DEBDHN CCN1CCC[C@@H]1CNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000491733046 285255750 /nfs/dbraw/zinc/25/57/50/285255750.db2.gz HDJPIUOJTFKGPX-IQCBXXCUSA-N 0 3 321.352 2.348 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C1CC1)C(C)(C)CO ZINC000292952049 533221995 /nfs/dbraw/zinc/22/19/95/533221995.db2.gz FAVIMOJRRXFPIK-HNNXBMFYSA-N 0 3 308.378 2.490 20 5 DEBDHN COc1cccc([C@@H](C)NCCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000271623935 209068198 /nfs/dbraw/zinc/06/81/98/209068198.db2.gz DMINWGRMPWZTHA-GFCCVEGCSA-N 0 3 317.345 2.116 20 5 DEBDHN CN1CCC[C@@H]1CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000340306405 131362566 /nfs/dbraw/zinc/36/25/66/131362566.db2.gz RUZFEXXUUCGISA-GFCCVEGCSA-N 0 3 305.378 2.083 20 5 DEBDHN CC(=O)N1CCC[C@H](CNCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000355429183 133026166 /nfs/dbraw/zinc/02/61/66/133026166.db2.gz YFJQFTPRGOHWGF-GFCCVEGCSA-N 0 3 309.341 2.082 20 5 DEBDHN CSC1(CNC(=O)c2ccc([N+](=O)[O-])cc2)CCN(C)CC1 ZINC000355446415 133027494 /nfs/dbraw/zinc/02/74/94/133027494.db2.gz RBAHLSYESQWETC-UHFFFAOYSA-N 0 3 323.418 2.152 20 5 DEBDHN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)C12CCCN1CCC2 ZINC000355728866 133044406 /nfs/dbraw/zinc/04/44/06/133044406.db2.gz DDFJKGWYMMQORG-UHFFFAOYSA-N 0 3 323.780 2.493 20 5 DEBDHN C[C@H](NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000368536883 133277161 /nfs/dbraw/zinc/27/71/61/133277161.db2.gz FLROCLRCMSMQHU-APHBMKBZSA-N 0 3 305.378 2.109 20 5 DEBDHN CC1(C)CC[C@@H](CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)O1 ZINC000373287185 133385376 /nfs/dbraw/zinc/38/53/76/133385376.db2.gz UFTQNVDGAVHGMO-ZDUSSCGKSA-N 0 3 308.382 2.386 20 5 DEBDHN Cc1cccc(N2CCC(OCCN(C)C)CC2)c1[N+](=O)[O-] ZINC000338669948 404471432 /nfs/dbraw/zinc/47/14/32/404471432.db2.gz ZSOKTTQDMOETEB-UHFFFAOYSA-N 0 3 307.394 2.450 20 5 DEBDHN COC(=O)CC1(NCCOc2cccc([N+](=O)[O-])c2)CCC1 ZINC000353034101 146640056 /nfs/dbraw/zinc/64/00/56/146640056.db2.gz HEJJTMZPCVGBRB-UHFFFAOYSA-N 0 3 308.334 2.049 20 5 DEBDHN C[C@H](C(=O)N(C)[C@H]1CCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000564718001 292106894 /nfs/dbraw/zinc/10/68/94/292106894.db2.gz DRFIKZVCUFTSKU-WFASDCNBSA-N 0 3 305.378 2.251 20 5 DEBDHN CC(=O)N1CC(N[C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000565218807 292147935 /nfs/dbraw/zinc/14/79/35/292147935.db2.gz PCUOQIOWYDZEKX-BBRMVZONSA-N 0 3 317.389 2.126 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)[C@H]1CCCOC1 ZINC000348140945 146222971 /nfs/dbraw/zinc/22/29/71/146222971.db2.gz CNEYZYMKMPOSGW-STQMWFEESA-N 0 3 321.377 2.246 20 5 DEBDHN Cc1c(CNC(=O)NCCN2CCCCC2)cccc1[N+](=O)[O-] ZINC000358299333 147108881 /nfs/dbraw/zinc/10/88/81/147108881.db2.gz WGCRPMNLOPPYLG-UHFFFAOYSA-N 0 3 320.393 2.188 20 5 DEBDHN CCN1CCC[C@H]1CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000073758380 401721516 /nfs/dbraw/zinc/72/15/16/401721516.db2.gz FDBTYSSZZQYQCB-WFASDCNBSA-N 0 3 320.393 2.439 20 5 DEBDHN CCCCN(C)CCNC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000112310149 401738715 /nfs/dbraw/zinc/73/87/15/401738715.db2.gz IJWLFFCTCCWSKN-UHFFFAOYSA-N 0 3 309.366 2.065 20 5 DEBDHN CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000112379878 401742313 /nfs/dbraw/zinc/74/23/13/401742313.db2.gz VJPPAJOEWGISTC-MEBBXXQBSA-N 0 3 312.366 2.196 20 5 DEBDHN CCN(CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000078650940 401860581 /nfs/dbraw/zinc/86/05/81/401860581.db2.gz PKTSYLKXUFPJRW-UHFFFAOYSA-N 0 3 311.769 2.462 20 5 DEBDHN Cc1ccc(NC(=O)N(C)CCN2CCCC2)cc1[N+](=O)[O-] ZINC000118787464 401907630 /nfs/dbraw/zinc/90/76/30/401907630.db2.gz ILRFYKUSIKCRSW-UHFFFAOYSA-N 0 3 306.366 2.463 20 5 DEBDHN Cc1cc(C(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)cc([N+](=O)[O-])c1 ZINC000119344263 401942957 /nfs/dbraw/zinc/94/29/57/401942957.db2.gz CXKFRQAPUHIDLS-BBRMVZONSA-N 0 3 317.389 2.460 20 5 DEBDHN CN(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1 ZINC000049406805 402016745 /nfs/dbraw/zinc/01/67/45/402016745.db2.gz GMHXTPWHKABCFP-GFCCVEGCSA-N 0 3 303.318 2.221 20 5 DEBDHN CC1(C)Cc2cc(CNCCn3cc([N+](=O)[O-])cn3)ccc2O1 ZINC000151290755 402028099 /nfs/dbraw/zinc/02/80/99/402028099.db2.gz UZRKTOOVECRJGR-UHFFFAOYSA-N 0 3 316.361 2.295 20 5 DEBDHN CC(=O)N1CC[C@H](CN(C)C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000092100511 402001663 /nfs/dbraw/zinc/00/16/63/402001663.db2.gz HQPFJIWRPSIPMQ-KEDPEKRHSA-N 0 3 317.389 2.408 20 5 DEBDHN CN(C[C@@H]1CCCN1C)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000092627232 402006357 /nfs/dbraw/zinc/00/63/57/402006357.db2.gz LAEWRTXTRVMLRO-NSHDSACASA-N 0 3 311.769 2.414 20 5 DEBDHN CCN1CCCC[C@H]1CNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000122250949 402069096 /nfs/dbraw/zinc/06/90/96/402069096.db2.gz KJYKICSIUMDEGP-HNNXBMFYSA-N 0 3 319.405 2.436 20 5 DEBDHN CN(C)C1(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CCC1 ZINC000097929862 402133065 /nfs/dbraw/zinc/13/30/65/402133065.db2.gz RANRXGAWLVZZGV-UHFFFAOYSA-N 0 3 311.769 2.462 20 5 DEBDHN O=[N+]([O-])c1ccccc1OCCN1CC[C@H]2OCCC[C@@H]2C1 ZINC000153030176 402123078 /nfs/dbraw/zinc/12/30/78/402123078.db2.gz JHZAMGVWTCFFLU-UKRRQHHQSA-N 0 3 306.362 2.475 20 5 DEBDHN CN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(C)C1 ZINC000153605818 402156364 /nfs/dbraw/zinc/15/63/64/402156364.db2.gz YMKHTTIILQEAFI-VSGCLNPGSA-N 0 3 303.362 2.161 20 5 DEBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@@H](Nc3ccccc3)C2)c1 ZINC000154849655 402236172 /nfs/dbraw/zinc/23/61/72/402236172.db2.gz RGZJNPIJLIQWOC-OAHLLOKOSA-N 0 3 315.377 2.368 20 5 DEBDHN NC(=O)c1ccc(CN2CC[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000159603485 402326405 /nfs/dbraw/zinc/32/64/05/402326405.db2.gz UEPQDYYOXXSWRU-FZMZJTMJSA-N 0 3 303.362 2.458 20 5 DEBDHN C[C@H]1C[C@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])CN1C1CC1 ZINC000177084006 402368230 /nfs/dbraw/zinc/36/82/30/402368230.db2.gz JLZYTVQLPTXCCS-ONGXEEELSA-N 0 3 307.325 2.089 20 5 DEBDHN CCN1CCC[C@H]1CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000245668902 402477797 /nfs/dbraw/zinc/47/77/97/402477797.db2.gz FDBTYSSZZQYQCB-DOMZBBRYSA-N 0 3 320.393 2.439 20 5 DEBDHN CCN(CCNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000171161002 402562386 /nfs/dbraw/zinc/56/23/86/402562386.db2.gz AIHBEEJVOAMZTF-GFCCVEGCSA-N 0 3 320.393 2.439 20 5 DEBDHN CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC(C)(C)O ZINC000265117359 402895571 /nfs/dbraw/zinc/89/55/71/402895571.db2.gz JESHCIAOCNNULT-UHFFFAOYSA-N 0 3 319.361 2.495 20 5 DEBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000265190622 402899603 /nfs/dbraw/zinc/89/96/03/402899603.db2.gz OMFANNGDPCNIAG-GFCCVEGCSA-N 0 3 306.366 2.400 20 5 DEBDHN COC1CCC(N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000265189633 402899622 /nfs/dbraw/zinc/89/96/22/402899622.db2.gz GTUSXMIQPRUVQJ-UHFFFAOYSA-N 0 3 321.377 2.083 20 5 DEBDHN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CCCC[C@H]1O ZINC000272512154 402946402 /nfs/dbraw/zinc/94/64/02/402946402.db2.gz KENHDHAGHMOXGU-BMFZPTHFSA-N 0 3 308.378 2.111 20 5 DEBDHN CN(CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000265831116 402954282 /nfs/dbraw/zinc/95/42/82/402954282.db2.gz SSAZTCJUNZIIQU-UHFFFAOYSA-N 0 3 305.378 2.083 20 5 DEBDHN COC(=O)C1=C(C)O[C@@H](CN[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000272579702 402955870 /nfs/dbraw/zinc/95/58/70/402955870.db2.gz ROCVTQNYEFALGB-IINYFYTJSA-N 0 3 320.345 2.481 20 5 DEBDHN C[C@H](N[C@@H]1CCC[C@@H]1CCO)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000279221099 402918066 /nfs/dbraw/zinc/91/80/66/402918066.db2.gz IBRNFNGNIRPJIA-YNEHKIRRSA-N 0 3 321.377 2.063 20 5 DEBDHN C[C@@H](CC1CC1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273421324 403003629 /nfs/dbraw/zinc/00/36/29/403003629.db2.gz JJBRQNUJJGKEPF-NSHDSACASA-N 0 3 312.391 2.147 20 5 DEBDHN C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000273507622 403010776 /nfs/dbraw/zinc/01/07/76/403010776.db2.gz ZVHMSHSDMBONJH-NSHDSACASA-N 0 3 312.391 2.147 20 5 DEBDHN COc1cc(NC[C@]2(N(C)C)CCSC2)ccc1[N+](=O)[O-] ZINC000267069365 403012847 /nfs/dbraw/zinc/01/28/47/403012847.db2.gz IHVPWCFQYZSYEG-CQSZACIVSA-N 0 3 311.407 2.453 20 5 DEBDHN Cc1cccc(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000268154970 403055202 /nfs/dbraw/zinc/05/52/02/403055202.db2.gz HAMXUGDVKDTZMV-FZMZJTMJSA-N 0 3 303.362 2.116 20 5 DEBDHN COCC[C@H](CO)N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000281164058 403059774 /nfs/dbraw/zinc/05/97/74/403059774.db2.gz BPHWNAMZKRTRJK-ABAIWWIYSA-N 0 3 308.378 2.304 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000268207622 403061901 /nfs/dbraw/zinc/06/19/01/403061901.db2.gz KBHIWVMPCOEELX-ABAIWWIYSA-N 0 3 303.362 2.116 20 5 DEBDHN COc1cc(CNCC2(N(C)C)CCC2)c([N+](=O)[O-])cc1OC ZINC000275551523 403105162 /nfs/dbraw/zinc/10/51/62/403105162.db2.gz CBIDBBATHFDRIE-UHFFFAOYSA-N 0 3 323.393 2.186 20 5 DEBDHN C[S@](=O)C1(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000282436504 403153977 /nfs/dbraw/zinc/15/39/77/403153977.db2.gz UEYFLCUKEYPQSS-SZNDQCEHSA-N 0 3 308.403 2.473 20 5 DEBDHN CCOC[C@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269700931 403158525 /nfs/dbraw/zinc/15/85/25/403158525.db2.gz YEKGXWFRIDVTRJ-XJKSGUPXSA-N 0 3 308.378 2.377 20 5 DEBDHN CS[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000270471015 403193807 /nfs/dbraw/zinc/19/38/07/403193807.db2.gz MIMSNEXACFEQJZ-QWHCGFSZSA-N 0 3 324.406 2.104 20 5 DEBDHN C[C@H](N[C@H]1C[C@@H](C)N(C2CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284228026 403255716 /nfs/dbraw/zinc/25/57/16/403255716.db2.gz ULWUKUOQVYKPFE-MDZLAQPJSA-N 0 3 304.394 2.453 20 5 DEBDHN CS[C@@H]1CN(C(=O)c2cc(C)ccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000271145786 403269269 /nfs/dbraw/zinc/26/92/69/403269269.db2.gz PQXCVYVXESSNKM-UONOGXRCSA-N 0 3 323.418 2.021 20 5 DEBDHN Cc1cc(NCCCN2CCCO[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000277975073 403276104 /nfs/dbraw/zinc/27/61/04/403276104.db2.gz JWNUBFKLZITTMB-ZDUSSCGKSA-N 0 3 308.382 2.211 20 5 DEBDHN COc1cc(C[NH2+]C[C@H]2CCOC[C@@H]2C)c([N+](=O)[O-])cc1[O-] ZINC000285644338 403347924 /nfs/dbraw/zinc/34/79/24/403347924.db2.gz XXEXJSAVGSSUIG-WDEREUQCSA-N 0 3 310.350 2.071 20 5 DEBDHN CN1CC[C@](O)(CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000342833147 403365462 /nfs/dbraw/zinc/36/54/62/403365462.db2.gz XTQDAPGLAODZFW-LBPRGKRZSA-N 0 3 320.176 2.380 20 5 DEBDHN C[C@H]1C[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCN1C ZINC000332125446 403490711 /nfs/dbraw/zinc/49/07/11/403490711.db2.gz CYEMOKDYUZKFSP-CMPLNLGQSA-N 0 3 316.361 2.289 20 5 DEBDHN C[C@@H]1CCC[C@H]1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000331680483 403451010 /nfs/dbraw/zinc/45/10/10/403451010.db2.gz SVDIXLBQEBZZCV-BXUZGUMPSA-N 0 3 303.362 2.262 20 5 DEBDHN C[C@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])N(C)C1CC1 ZINC000339849945 403469872 /nfs/dbraw/zinc/46/98/72/403469872.db2.gz GAGMYIVZZNJTTP-GFCCVEGCSA-N 0 3 319.405 2.471 20 5 DEBDHN COCCN1CCC(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000299245592 403553936 /nfs/dbraw/zinc/55/39/36/403553936.db2.gz OJXWPMIVCIIDGA-UHFFFAOYSA-N 0 3 324.337 2.026 20 5 DEBDHN CCn1ccnc1[C@H]1OCC[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000343399591 403570774 /nfs/dbraw/zinc/57/07/74/403570774.db2.gz KJUHRCUDBPNRQN-CABCVRRESA-N 0 3 316.361 2.431 20 5 DEBDHN Cc1[nH]cnc1CC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000294210200 403673598 /nfs/dbraw/zinc/67/35/98/403673598.db2.gz UDCCKKQKEUCTSK-UHFFFAOYSA-N 0 3 302.334 2.220 20 5 DEBDHN CNC(=O)[C@@H]1CCCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000347369496 403683460 /nfs/dbraw/zinc/68/34/60/403683460.db2.gz OFGALTJNXPGPDG-UZGISAJGSA-N 0 3 317.389 2.456 20 5 DEBDHN C[C@@H]1CN(CCCNc2ccc(N)cc2[N+](=O)[O-])CCCO1 ZINC000287892836 403687121 /nfs/dbraw/zinc/68/71/21/403687121.db2.gz VAIUOEZVRTZAOZ-GFCCVEGCSA-N 0 3 308.382 2.090 20 5 DEBDHN CC1(C)C[C@H](O)CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000295295559 403837848 /nfs/dbraw/zinc/83/78/48/403837848.db2.gz GYRIWJAQFDOEPO-CQSZACIVSA-N 0 3 308.378 2.457 20 5 DEBDHN CC1(C)C[C@@H](O)CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000295295557 403838247 /nfs/dbraw/zinc/83/82/47/403838247.db2.gz GYRIWJAQFDOEPO-AWEZNQCLSA-N 0 3 308.378 2.457 20 5 DEBDHN CCN1CCCC[C@@H]1CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000347775993 403861948 /nfs/dbraw/zinc/86/19/48/403861948.db2.gz KVMDTXWDUDRDQB-CQSZACIVSA-N 0 3 305.378 2.128 20 5 DEBDHN COc1ccc(OCCN2CC[C@H](CO)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000344177810 403959190 /nfs/dbraw/zinc/95/91/90/403959190.db2.gz SJAPLTVARUPVBW-OLZOCXBDSA-N 0 3 324.377 2.075 20 5 DEBDHN CCNc1ccc(C(=O)NC(C)(C)CN(C)C)cc1[N+](=O)[O-] ZINC000308671646 403960372 /nfs/dbraw/zinc/96/03/72/403960372.db2.gz GYOBXTLZEZVZNH-UHFFFAOYSA-N 0 3 308.382 2.097 20 5 DEBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCCN1CCCC1 ZINC000341359745 403929492 /nfs/dbraw/zinc/92/94/92/403929492.db2.gz SBRCZSIDLZJSQY-UHFFFAOYSA-N 0 3 307.350 2.198 20 5 DEBDHN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@H](N2CCCCC2)C1 ZINC000344239746 404002070 /nfs/dbraw/zinc/00/20/70/404002070.db2.gz NXKUHEOKECGWAG-AWEZNQCLSA-N 0 3 321.352 2.434 20 5 DEBDHN O=C(N[C@@H]1CCN(C2CCCC2)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344248255 404007473 /nfs/dbraw/zinc/00/74/73/404007473.db2.gz DBOHSBKTFVFVAS-CYBMUJFWSA-N 0 3 321.352 2.481 20 5 DEBDHN CC1(C)CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]1C1CC1 ZINC000290497427 404193450 /nfs/dbraw/zinc/19/34/50/404193450.db2.gz AMGONVKJRQAUNW-CZUORRHYSA-N 0 3 320.389 2.455 20 5 DEBDHN COc1ccc(OCCN2CCCOC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000369810345 404234807 /nfs/dbraw/zinc/23/48/07/404234807.db2.gz JILNXMVBPFUJQP-UHFFFAOYSA-N 0 3 324.377 2.483 20 5 DEBDHN CN(C[C@@H](O)COc1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000290771223 404305657 /nfs/dbraw/zinc/30/56/57/404305657.db2.gz LPKXAAJISOSFQT-SNVBAGLBSA-N 0 3 300.742 2.082 20 5 DEBDHN C[C@H](N[C@@H]1CCCN(CCCO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000297265842 404526578 /nfs/dbraw/zinc/52/65/78/404526578.db2.gz KJAFIXRYSOYBNZ-DZGCQCFKSA-N 0 3 307.394 2.092 20 5 DEBDHN CCN1CCN([C@H](C)CNc2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000338646519 404458193 /nfs/dbraw/zinc/45/81/93/404458193.db2.gz GYNDXGCEJRURMC-CYBMUJFWSA-N 0 3 322.409 2.041 20 5 DEBDHN Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[C@@]3(CCN(C)C3)C2)c1F ZINC000297659255 404581426 /nfs/dbraw/zinc/58/14/26/404581426.db2.gz BOIJFZVMPQECAL-MRXNPFEDSA-N 0 3 321.352 2.210 20 5 DEBDHN C[C@H](NC(=O)N1CCC[C@H](N(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000297678739 404587971 /nfs/dbraw/zinc/58/79/71/404587971.db2.gz POMFRNHGAFNVEG-WFASDCNBSA-N 0 3 320.393 2.391 20 5 DEBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000342469667 404599357 /nfs/dbraw/zinc/59/93/57/404599357.db2.gz LVUIIAJYJLCXJF-XPTSAGLGSA-N 0 3 323.780 2.461 20 5 DEBDHN C[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](C)CN1C ZINC000330572774 404691046 /nfs/dbraw/zinc/69/10/46/404691046.db2.gz DQWDODYGRDQBNB-MNOVXSKESA-N 0 3 306.366 2.003 20 5 DEBDHN Cc1ccc(CN2CCC(OCCN(C)C)CC2)cc1[N+](=O)[O-] ZINC000353527369 404857680 /nfs/dbraw/zinc/85/76/80/404857680.db2.gz CTHSTKWVTKKRGO-UHFFFAOYSA-N 0 3 321.421 2.446 20 5 DEBDHN O=C1C[C@@]2(CN1)CCCN(C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000353747357 404954719 /nfs/dbraw/zinc/95/47/19/404954719.db2.gz AAMXDLJGAYVQLW-ZNNBYXKUSA-N 0 3 315.373 2.210 20 5 DEBDHN COC(=O)CC1CC(NCc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000424293962 405059224 /nfs/dbraw/zinc/05/92/24/405059224.db2.gz DECLSXQJZJSWHW-UHFFFAOYSA-N 0 3 308.334 2.035 20 5 DEBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@@H](N2CCCC2)C1 ZINC000408327749 405174333 /nfs/dbraw/zinc/17/43/33/405174333.db2.gz GRKQCAOHWFBXON-CYBMUJFWSA-N 0 3 307.398 2.184 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425058352 405239067 /nfs/dbraw/zinc/23/90/67/405239067.db2.gz OVKUIADOZNBMGH-SWLSCSKDSA-N 0 3 303.362 2.069 20 5 DEBDHN CC(C)[C@@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CCN1C ZINC000447673534 405418192 /nfs/dbraw/zinc/41/81/92/405418192.db2.gz YQAIFAVHKXFAAB-AWEZNQCLSA-N 0 3 303.366 2.248 20 5 DEBDHN Cc1ccc([C@@H](C)NCCN2CCCOCC2)cc1[N+](=O)[O-] ZINC000429681191 405443678 /nfs/dbraw/zinc/44/36/78/405443678.db2.gz BRXAOQUJDUJUOG-CQSZACIVSA-N 0 3 307.394 2.276 20 5 DEBDHN Cc1cc(NC(=O)N(C)C[C@H]2CCCN2C)ccc1[N+](=O)[O-] ZINC000421089934 405445779 /nfs/dbraw/zinc/44/57/79/405445779.db2.gz NOJVMACBBYVUDP-CYBMUJFWSA-N 0 3 306.366 2.461 20 5 DEBDHN CN(C[C@H]1CCCN1C)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000493803336 405564715 /nfs/dbraw/zinc/56/47/15/405564715.db2.gz OFVANRCAZUEICG-JOZWUWCOSA-N 0 3 303.362 2.161 20 5 DEBDHN CCC1(NCc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CC1 ZINC000449416707 405551313 /nfs/dbraw/zinc/55/13/13/405551313.db2.gz VHYISYIQZFCNSY-UHFFFAOYSA-N 0 3 308.334 2.179 20 5 DEBDHN C[C@H](NC(=O)N1CCN(C)CC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000458890389 405642676 /nfs/dbraw/zinc/64/26/76/405642676.db2.gz OUHVNLUFTKGHIJ-STQMWFEESA-N 0 3 320.393 2.391 20 5 DEBDHN Cc1c([C@H]2OCC[C@@H]2NCc2cccc([N+](=O)[O-])c2)cnn1C ZINC000431696247 405663124 /nfs/dbraw/zinc/66/31/24/405663124.db2.gz CPVQGQNEKPNVIX-JKSUJKDBSA-N 0 3 316.361 2.257 20 5 DEBDHN CC(C)N1CC[C@H](N(C)C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000457099633 405696683 /nfs/dbraw/zinc/69/66/83/405696683.db2.gz VQSQVFOFSXOQSS-LBPRGKRZSA-N 0 3 309.341 2.289 20 5 DEBDHN COC[C@]1(CO)CCN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000449698911 405698274 /nfs/dbraw/zinc/69/82/74/405698274.db2.gz OUYXBWAZCHSOIV-LEHPZIBWSA-N 0 3 320.389 2.329 20 5 DEBDHN C[C@H]1CCN[C@@H](C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000423168941 405709503 /nfs/dbraw/zinc/70/95/03/405709503.db2.gz VMCHJXHEBXSCER-XJKSGUPXSA-N 0 3 319.405 2.422 20 5 DEBDHN CC1(C)C[C@H](N[C@@H]2CCC(=O)NC2)c2cc([N+](=O)[O-])ccc21 ZINC000433127094 405874104 /nfs/dbraw/zinc/87/41/04/405874104.db2.gz QYZNEYQGFHQBAO-YGRLFVJLSA-N 0 3 303.362 2.185 20 5 DEBDHN CC(=O)c1cc(NC[C@H]2CCCN2CCCO)ccc1[N+](=O)[O-] ZINC000450590344 405967791 /nfs/dbraw/zinc/96/77/91/405967791.db2.gz DMEIXTWHPZAQHG-CQSZACIVSA-N 0 3 321.377 2.056 20 5 DEBDHN CC(C)(C(=O)N1CCNC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000423712219 405922137 /nfs/dbraw/zinc/92/21/37/405922137.db2.gz SQWNISHIPLZRTQ-UHFFFAOYSA-N 0 3 305.378 2.083 20 5 DEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000434034115 406011917 /nfs/dbraw/zinc/01/19/17/406011917.db2.gz AUJWPOMCUKPPOP-KGLIPLIRSA-N 0 3 321.352 2.433 20 5 DEBDHN O=[N+]([O-])c1ccccc1/C=C/CNC1(CO)CCSCC1 ZINC000459684352 406006454 /nfs/dbraw/zinc/00/64/54/406006454.db2.gz BEBGHXCZBPHZIS-HWKANZROSA-N 0 3 308.403 2.456 20 5 DEBDHN Cc1c([C@@H](C)NCCN2CCO[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000532485175 406080114 /nfs/dbraw/zinc/08/01/14/406080114.db2.gz JSTCVZKGIQRJSE-TZMCWYRMSA-N 0 3 307.394 2.275 20 5 DEBDHN CC[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000459781485 406044393 /nfs/dbraw/zinc/04/43/93/406044393.db2.gz SQKYVLPQIMDFMP-GDLCADMTSA-N 0 3 307.350 2.079 20 5 DEBDHN COc1ccc(NC(=O)CN[C@H]2CCC[C@@H]3C[C@@H]32)c([N+](=O)[O-])c1 ZINC000459791778 406047588 /nfs/dbraw/zinc/04/75/88/406047588.db2.gz SZBIVZNAUZOSOC-WXHSDQCUSA-N 0 3 319.361 2.320 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCN1CC[C@@H](C)C1 ZINC000524771190 406458730 /nfs/dbraw/zinc/45/87/30/406458730.db2.gz SVWRGIPEOQUPBM-CYBMUJFWSA-N 0 3 307.394 2.425 20 5 DEBDHN CN(C)C[C@@H]1CCCN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000491465623 406599070 /nfs/dbraw/zinc/59/90/70/406599070.db2.gz RXWSDWHLGMYFTG-HBWSCVEGSA-N 0 3 303.362 2.161 20 5 DEBDHN COCC1(CNCc2ccc([N+](=O)[O-])cc2F)CCOCC1 ZINC000491572772 406627110 /nfs/dbraw/zinc/62/71/10/406627110.db2.gz OSLFZAZQGJNDQM-UHFFFAOYSA-N 0 3 312.341 2.267 20 5 DEBDHN CS[C@H]1CN(C(=O)c2cc(C)ccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000271145783 286720274 /nfs/dbraw/zinc/72/02/74/286720274.db2.gz PQXCVYVXESSNKM-KBPBESRZSA-N 0 3 323.418 2.021 20 5 DEBDHN CCN1CCC[C@H]1CNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000491733047 406692481 /nfs/dbraw/zinc/69/24/81/406692481.db2.gz HDJPIUOJTFKGPX-QPBFKRLHSA-N 0 3 321.352 2.348 20 5 DEBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](CN2CCOCC2)C1 ZINC000129357983 196041923 /nfs/dbraw/zinc/04/19/23/196041923.db2.gz LMZPGYPSNWFNTB-LSDHHAIUSA-N 0 3 319.405 2.310 20 5 DEBDHN COc1cccc(C(=O)NCCN2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000195426589 225205735 /nfs/dbraw/zinc/20/57/35/225205735.db2.gz WJMRGFOWBZWJJQ-GFCCVEGCSA-N 0 3 321.377 2.065 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC(C)(C)CN1CCCC1 ZINC000411086262 227334207 /nfs/dbraw/zinc/33/42/07/227334207.db2.gz NSJDMHNKGLBJIP-UHFFFAOYSA-N 0 3 321.377 2.208 20 5 DEBDHN Cc1nc(NC(C)(C)CCN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000302284504 230206756 /nfs/dbraw/zinc/20/67/56/230206756.db2.gz VKNCFBSCHKUJHT-UHFFFAOYSA-N 0 3 321.425 2.126 20 5 DEBDHN CN(C)CCNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000362349648 424851208 /nfs/dbraw/zinc/85/12/08/424851208.db2.gz WEKSYFOFQYXADF-UHFFFAOYSA-N 0 3 304.325 2.769 20 5 DEBDHN CCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])c(OC(C)C)n2)C1 ZINC000596516242 425026752 /nfs/dbraw/zinc/02/67/52/425026752.db2.gz DDEDHUBWKVYMBV-GFCCVEGCSA-N 0 3 308.382 2.673 20 5 DEBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H](N(C)C)C1 ZINC000280983980 276382076 /nfs/dbraw/zinc/38/20/76/276382076.db2.gz PRVFTQXOBIWXCY-LBPRGKRZSA-N 0 3 321.377 2.160 20 5 DEBDHN CN1C[C@@H](N[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1=O ZINC000279013196 277194530 /nfs/dbraw/zinc/19/45/30/277194530.db2.gz HBZFFQKEPBWVSC-IINYFYTJSA-N 0 3 303.362 2.138 20 5 DEBDHN CNc1c(C(=O)N(C)C[C@@H]2CCCN(C)C2)cccc1[N+](=O)[O-] ZINC000361197762 277301324 /nfs/dbraw/zinc/30/13/24/277301324.db2.gz AKVLXAVHJNECJC-GFCCVEGCSA-N 0 3 320.393 2.050 20 5 DEBDHN Cc1c(C(=O)N(C)[C@@H]2CCN(C(C)C)C2)cccc1[N+](=O)[O-] ZINC000457085170 280203986 /nfs/dbraw/zinc/20/39/86/280203986.db2.gz MJJUMXMBKXQTQR-CYBMUJFWSA-N 0 3 305.378 2.458 20 5 DEBDHN Cc1cnc(N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000488718815 302350675 /nfs/dbraw/zinc/35/06/75/302350675.db2.gz HGKZYWCETGNKFS-MELADBBJSA-N 0 3 304.394 2.465 20 5 DEBDHN Cc1ccc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000573352882 326049158 /nfs/dbraw/zinc/04/91/58/326049158.db2.gz LAVBJXBCZDSABC-LBPRGKRZSA-N 0 3 322.386 2.494 20 5 DEBDHN C[C@H]1C[C@@H](NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CO1 ZINC000576754829 326316520 /nfs/dbraw/zinc/31/65/20/326316520.db2.gz KDZXFCSRGFNXBA-SMDDNHRTSA-N 0 3 316.361 2.262 20 5 DEBDHN O=[N+]([O-])c1ccccc1N1CCN(C[C@H]2CCCC[C@H]2O)CC1 ZINC000577335711 326357629 /nfs/dbraw/zinc/35/76/29/326357629.db2.gz RDYSUDOKYNRONO-RHSMWYFYSA-N 0 3 319.405 2.268 20 5 DEBDHN C[C@H]1COCCN1CCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447536210 534028053 /nfs/dbraw/zinc/02/80/53/534028053.db2.gz LRBCRWWMPNKRCB-SUMWQHHRSA-N 0 3 319.405 2.283 20 5 DEBDHN CCCCN1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000338426748 520587245 /nfs/dbraw/zinc/58/72/45/520587245.db2.gz SZWVXGHDNNESNX-ZDUSSCGKSA-N 0 3 322.409 2.318 20 5 DEBDHN C[C@H]1C[C@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2F)CCN1C ZINC000156321131 524899630 /nfs/dbraw/zinc/89/96/30/524899630.db2.gz WOPSVFUQXVBPLO-WCQYABFASA-N 0 3 323.368 2.218 20 5 DEBDHN Cc1ccc([C@H](C)NC[C@@H](C)N2CCOCC2)cc1[N+](=O)[O-] ZINC000123346292 525922663 /nfs/dbraw/zinc/92/26/63/525922663.db2.gz KMTNFEYKMPIFLJ-KGLIPLIRSA-N 0 3 307.394 2.275 20 5 DEBDHN CC(=O)c1ccc(N2CC[C@@]3(CCN(C)C3)C2)c([N+](=O)[O-])c1 ZINC000292386407 527288698 /nfs/dbraw/zinc/28/86/98/527288698.db2.gz SYXKNHUXICOPPO-MRXNPFEDSA-N 0 3 303.362 2.329 20 5 DEBDHN CC(C)[C@@H]1CN(C)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000330985319 528743153 /nfs/dbraw/zinc/74/31/53/528743153.db2.gz LDMKSVVJIUEOPJ-INIZCTEOSA-N 0 3 307.394 2.246 20 5 DEBDHN CCN(Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)C1CC1 ZINC000355608118 535785080 /nfs/dbraw/zinc/78/50/80/535785080.db2.gz PECOZXOUBKNIHL-UHFFFAOYSA-N 0 3 308.334 2.131 20 5 DEBDHN CNC(=O)[C@@H]1CCC[C@@H]1N[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000358267455 536363427 /nfs/dbraw/zinc/36/34/27/536363427.db2.gz PXWPCBGYEHISNZ-LNSITVRQSA-N 0 3 305.378 2.469 20 5 DEBDHN CC(C)Cn1cc(C(=O)OCC(C)[N+](=O)[O-])c(C(F)F)n1 ZINC000835456183 649923847 /nfs/dbraw/zinc/92/38/47/649923847.db2.gz SMZCTKZGTWZEEA-MRVPVSSYSA-N 0 3 305.281 2.299 20 5 DEBDHN CC(COC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)[N+](=O)[O-] ZINC000813100935 623292130 /nfs/dbraw/zinc/29/21/30/623292130.db2.gz YSCKFZRZMYQWAC-HTQZYQBOSA-N 0 3 300.242 2.046 20 5 DEBDHN CC(COC(=O)[C@@H](c1c(F)cccc1Cl)N(C)C)[N+](=O)[O-] ZINC000813106185 623305640 /nfs/dbraw/zinc/30/56/40/623305640.db2.gz ABDNZSGLXOBGTN-PRHODGIISA-N 0 3 318.732 2.290 20 5 DEBDHN C[C@@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cncs1 ZINC000934194168 624777826 /nfs/dbraw/zinc/77/78/26/624777826.db2.gz AKELYJSNAQHNMK-GHMZBOCLSA-N 0 3 323.374 2.142 20 5 DEBDHN O=C(CCCNCc1ccc(Cl)cc1[N+](=O)[O-])NC1CC1 ZINC000092988355 624865546 /nfs/dbraw/zinc/86/55/46/624865546.db2.gz RDRMMRLFKQPVKQ-UHFFFAOYSA-N 0 3 311.769 2.397 20 5 DEBDHN O=[N+]([O-])c1cc(F)ccc1CN[C@H]1CCOC12CCOCC2 ZINC000934401333 624873730 /nfs/dbraw/zinc/87/37/30/624873730.db2.gz IFEGTPOPCKRQIH-AWEZNQCLSA-N 0 3 310.325 2.162 20 5 DEBDHN CC(C)(C)C(=O)N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001023008336 625132269 /nfs/dbraw/zinc/13/22/69/625132269.db2.gz YULCAPHZKJIUQR-BETUJISGSA-N 0 3 305.378 2.378 20 5 DEBDHN CC(C)Cc1ccc(CNCCn2cc([N+](=O)[O-])cn2)cn1 ZINC000893133117 625132730 /nfs/dbraw/zinc/13/27/30/625132730.db2.gz AQLZQKYNQCCSCI-UHFFFAOYSA-N 0 3 303.366 2.175 20 5 DEBDHN COc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCCCN1C1CC1 ZINC000893515641 634079266 /nfs/dbraw/zinc/07/92/66/634079266.db2.gz LBAYZWVMNXYDRR-LBPRGKRZSA-N 0 3 306.366 2.427 20 5 DEBDHN CCN1CCC[C@@H](NC/C=C/c2ccccc2[N+](=O)[O-])C1=O ZINC000922640368 636295268 /nfs/dbraw/zinc/29/52/68/636295268.db2.gz UMQQXZAIJXCXFQ-LHRNQBEKSA-N 0 3 303.362 2.209 20 5 DEBDHN Cc1c(CNCC(C)(C)CS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000922734603 636365018 /nfs/dbraw/zinc/36/50/18/636365018.db2.gz FIFRRNJBIKGZKP-UHFFFAOYSA-N 0 3 314.407 2.064 20 5 DEBDHN C[C@@H]1[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000928451488 637262884 /nfs/dbraw/zinc/26/28/84/637262884.db2.gz UENBIHAODHCOAQ-BXUZGUMPSA-N 0 3 305.378 2.081 20 5 DEBDHN COc1c([O-])ccc(C[NH2+]C[C@@H]2C[C@H](C)O[C@H]2C)c1[N+](=O)[O-] ZINC000894911393 637326370 /nfs/dbraw/zinc/32/63/70/637326370.db2.gz WZNIOLBRLHZAPR-NHCYSSNCSA-N 0 3 310.350 2.212 20 5 DEBDHN C[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)[C@@H](C)CN1 ZINC000841233504 637405421 /nfs/dbraw/zinc/40/54/21/637405421.db2.gz WFWBFDSUQYVYIU-IUCAKERBSA-N 0 3 312.757 2.462 20 5 DEBDHN COc1c(O)ccc(CNC[C@H]2CCC[C@H](C)O2)c1[N+](=O)[O-] ZINC000895377027 637980282 /nfs/dbraw/zinc/98/02/82/637980282.db2.gz INASKMGWSGLBAT-CMPLNLGQSA-N 0 3 310.350 2.356 20 5 DEBDHN C[C@@H]1CN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1C ZINC000751932393 639136857 /nfs/dbraw/zinc/13/68/57/639136857.db2.gz ZSBPMGOHFZZCON-VXGBXAGGSA-N 0 3 301.350 2.399 20 5 DEBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000755148940 639523194 /nfs/dbraw/zinc/52/31/94/639523194.db2.gz RRUZZMRQPOUPDF-IEZBTEQYSA-N 0 3 315.373 2.351 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](C)N1CCCCC1 ZINC000756447176 639663460 /nfs/dbraw/zinc/66/34/60/639663460.db2.gz NVYYWVXEZBCRPM-GFCCVEGCSA-N 0 3 321.377 2.208 20 5 DEBDHN C[C@H]1CCCN1CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000839729315 639827045 /nfs/dbraw/zinc/82/70/45/639827045.db2.gz VWWKPTTWDFOMTJ-JTQLQIEISA-N 0 3 311.769 2.462 20 5 DEBDHN CN(C)C1(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CCC1 ZINC000763074385 640501167 /nfs/dbraw/zinc/50/11/67/640501167.db2.gz NGYWLQWRLRJWLV-UHFFFAOYSA-N 0 3 311.769 2.349 20 5 DEBDHN C[NH+]1CCC(O[N-]C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000773551849 641796875 /nfs/dbraw/zinc/79/68/75/641796875.db2.gz MIAGHIJMQAJKQB-UHFFFAOYSA-N 0 3 313.741 2.004 20 5 DEBDHN C[C@H](NC(=S)NC1CCN(C)CC1)c1ccccc1[N+](=O)[O-] ZINC000774583827 641924332 /nfs/dbraw/zinc/92/43/32/641924332.db2.gz WQOWLXYLICXBBM-NSHDSACASA-N 0 3 322.434 2.214 20 5 DEBDHN CN(CCc1ccccn1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776272543 642152226 /nfs/dbraw/zinc/15/22/26/642152226.db2.gz VSUMCDKTZQIFEJ-MRXNPFEDSA-N 0 3 301.346 2.198 20 5 DEBDHN CN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](CO)c1ccccc1 ZINC000776582935 642188369 /nfs/dbraw/zinc/18/83/69/642188369.db2.gz WVHPPMPZBWOFSB-IRXDYDNUSA-N 0 3 316.357 2.294 20 5 DEBDHN O=C(NCCN1CCCC1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900010976 642236323 /nfs/dbraw/zinc/23/63/23/642236323.db2.gz GWIZRXJDQDRASH-UHFFFAOYSA-N 0 3 315.732 2.213 20 5 DEBDHN CNC(=O)C1(NC/C=C\c2ccccc2[N+](=O)[O-])CCCC1 ZINC000779173713 642469138 /nfs/dbraw/zinc/46/91/38/642469138.db2.gz FASSUMWRTFTBRZ-VURMDHGXSA-N 0 3 303.362 2.256 20 5 DEBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000902826787 643153140 /nfs/dbraw/zinc/15/31/40/643153140.db2.gz WOKMMCKHAZAMBR-GXTWGEPZSA-N 0 3 304.350 2.295 20 5 DEBDHN CC(C)(C)OC(=O)NC1(CNCC[N+](=O)[O-])CCCCC1 ZINC000905081976 643778060 /nfs/dbraw/zinc/77/80/60/643778060.db2.gz RWDCTFXIWCYRPI-UHFFFAOYSA-N 0 3 301.387 2.080 20 5 DEBDHN O=[N+]([O-])CCN1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000791055230 643925026 /nfs/dbraw/zinc/92/50/26/643925026.db2.gz QVWPUTNCADQDJV-CYBMUJFWSA-N 0 3 307.398 2.309 20 5 DEBDHN O=[N+]([O-])CCN1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000791055230 643925030 /nfs/dbraw/zinc/92/50/30/643925030.db2.gz QVWPUTNCADQDJV-CYBMUJFWSA-N 0 3 307.398 2.309 20 5 DEBDHN O=[N+]([O-])c1cccc([C@H](O)CNCc2cccc3c2OCC3)c1 ZINC000905615851 643980351 /nfs/dbraw/zinc/98/03/51/643980351.db2.gz FPXPVPNWEZBXET-MRXNPFEDSA-N 0 3 314.341 2.353 20 5 DEBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])c(C)n1CC(F)(F)F ZINC000813102489 646728902 /nfs/dbraw/zinc/72/89/02/646728902.db2.gz GFHFAJMILXMXMK-QMMMGPOBSA-N 0 3 308.256 2.489 20 5 DEBDHN CC(COC(=O)c1ccnc(OCc2ccccc2)c1)[N+](=O)[O-] ZINC000813103723 646728944 /nfs/dbraw/zinc/72/89/44/646728944.db2.gz GKCGULUJQYLUCN-LBPRGKRZSA-N 0 3 316.313 2.483 20 5 DEBDHN CC(COC(=O)[C@@H]1CCN(c2ccccc2Cl)C1)[N+](=O)[O-] ZINC000813106406 646729478 /nfs/dbraw/zinc/72/94/78/646729478.db2.gz CNEKLHRUILQTKT-WDEREUQCSA-N 0 3 312.753 2.375 20 5 DEBDHN CC(=O)c1ccc(OCCCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813113258 646733274 /nfs/dbraw/zinc/73/32/74/646733274.db2.gz CKMLHIOLZYTPJF-LLVKDONJSA-N 0 3 309.318 2.257 20 5 DEBDHN CSc1ncc(C(=O)OCC(C)[N+](=O)[O-])n1-c1ccccc1 ZINC000813115474 646734368 /nfs/dbraw/zinc/73/43/68/646734368.db2.gz SWLNTOLHQPEISG-SNVBAGLBSA-N 0 3 321.358 2.416 20 5 DEBDHN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H](N)C1CCC1 ZINC000817908543 647379481 /nfs/dbraw/zinc/37/94/81/647379481.db2.gz GOHKEEBBWKILOO-CYBMUJFWSA-N 0 3 311.769 2.334 20 5 DEBDHN O=[N+]([O-])c1cc(CNC[C@H](O)C2CC2)cc(C(F)(F)F)c1 ZINC000819270454 647622959 /nfs/dbraw/zinc/62/29/59/647622959.db2.gz ZOKGDPSFUICLQN-LBPRGKRZSA-N 0 3 304.268 2.474 20 5 DEBDHN O=[N+]([O-])c1ccc([C@H](O)CN[C@@H]2COCc3ccccc32)cc1 ZINC000819373981 647645910 /nfs/dbraw/zinc/64/59/10/647645910.db2.gz KKQHLJRUVCSEDH-IAGOWNOFSA-N 0 3 314.341 2.489 20 5 DEBDHN CC[C@@H]1CN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C[C@H](C)N1 ZINC000826679181 648904278 /nfs/dbraw/zinc/90/42/78/648904278.db2.gz VYXRSFVMOFZQCY-SMDDNHRTSA-N 0 3 323.368 2.265 20 5 DEBDHN Cc1ccc(CNC(=O)[C@@H]2CCCN2C(C)C)cc1[N+](=O)[O-] ZINC000828466686 649182852 /nfs/dbraw/zinc/18/28/52/649182852.db2.gz UZUKSZBTTIFMMM-AWEZNQCLSA-N 0 3 305.378 2.392 20 5 DEBDHN CO[C@@H]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000831547790 649609128 /nfs/dbraw/zinc/60/91/28/649609128.db2.gz WRXRCZWFPAATAX-HUUCEWRRSA-N 0 3 308.378 2.375 20 5 DEBDHN CC[C@H]1CN(CC)CCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000831971316 649665169 /nfs/dbraw/zinc/66/51/69/649665169.db2.gz NRKRYJYOKBPAOI-ZDUSSCGKSA-N 0 3 322.365 2.419 20 5 DEBDHN Cc1cnn(C)c1C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845875611 651291122 /nfs/dbraw/zinc/29/11/22/651291122.db2.gz AFZMKJPWYREIIC-QMTHXVAHSA-N 0 3 321.308 2.431 20 5 DEBDHN CC([C@H](OC(=O)Cc1ccn(C)n1)c1ccccc1F)[N+](=O)[O-] ZINC000845878175 651291572 /nfs/dbraw/zinc/29/15/72/651291572.db2.gz RNVLGOCUCRLYQV-BONVTDFDSA-N 0 3 321.308 2.051 20 5 DEBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCN[C@@H](C(C)C)C1 ZINC000856491149 651942151 /nfs/dbraw/zinc/94/21/51/651942151.db2.gz YLKBTDXJYYQYSF-GFCCVEGCSA-N 0 3 309.341 2.112 20 5 DEBDHN CC(COC(=O)c1c(C(F)(F)F)nc2n1CCCC2)[N+](=O)[O-] ZINC000851036010 652049765 /nfs/dbraw/zinc/04/97/65/652049765.db2.gz DJRCRXDLMSZRJH-ZETCQYMHSA-N 0 3 321.255 2.060 20 5 DEBDHN O=C1CC[C@H](CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)O1 ZINC000852134865 652349412 /nfs/dbraw/zinc/34/94/12/652349412.db2.gz IOZZGLQJSHCXIH-DZGCQCFKSA-N 0 3 304.346 2.480 20 5 DEBDHN CCN1CCCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](C)C1 ZINC000853684925 652589401 /nfs/dbraw/zinc/58/94/01/652589401.db2.gz MTZIVYJLXBEUBU-LLVKDONJSA-N 0 3 308.338 2.424 20 5 DEBDHN C[C@H]1[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CCN1C ZINC000928439343 693779750 /nfs/dbraw/zinc/77/97/50/693779750.db2.gz NREOHMSHIMAGHP-IINYFYTJSA-N 0 3 323.368 2.220 20 5 DEBDHN CO[C@]1(CNCc2cc(Cl)ccc2[N+](=O)[O-])CCOC1 ZINC000122885983 684119918 /nfs/dbraw/zinc/11/99/18/684119918.db2.gz NYZAFHJWACRPQY-ZDUSSCGKSA-N 0 3 300.742 2.143 20 5 DEBDHN CN(CC1CCOCC1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000124635884 684137150 /nfs/dbraw/zinc/13/71/50/684137150.db2.gz JFYQZSFTVOFPDB-UHFFFAOYSA-N 0 3 304.350 2.260 20 5 DEBDHN CCN1CCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000160361212 684327045 /nfs/dbraw/zinc/32/70/45/684327045.db2.gz KAAYKNCZFQWAAL-SNVBAGLBSA-N 0 3 311.769 2.462 20 5 DEBDHN Cc1ccnn1CC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000860855056 685968804 /nfs/dbraw/zinc/96/88/04/685968804.db2.gz PVPXLLPLOPKTLO-NHYWBVRUSA-N 0 3 321.308 2.280 20 5 DEBDHN COCCN1CCC[C@H]1COC(=O)c1cccc([N+](=O)[O-])c1C ZINC000861031961 685987440 /nfs/dbraw/zinc/98/74/40/685987440.db2.gz DVPWIECKEIHYKY-ZDUSSCGKSA-N 0 3 322.361 2.171 20 5 DEBDHN Cc1ccc(CNc2cc3n(n2)CCN(C)C3)cc1[N+](=O)[O-] ZINC000865844210 687351940 /nfs/dbraw/zinc/35/19/40/687351940.db2.gz DVBQKHLZGFJDGY-UHFFFAOYSA-N 0 3 301.350 2.157 20 5 DEBDHN Cc1cccc(N2CCC(N3CCN(C)CC3)CC2)c1[N+](=O)[O-] ZINC000866212657 687495238 /nfs/dbraw/zinc/49/52/38/687495238.db2.gz ITMDYPQJOONYPR-UHFFFAOYSA-N 0 3 318.421 2.119 20 5 DEBDHN C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])NC[C@H](O)C(F)(F)F ZINC000866241259 687504894 /nfs/dbraw/zinc/50/48/94/687504894.db2.gz ZXANADVWKSCLLG-HQJQHLMTSA-N 0 3 310.247 2.178 20 5 DEBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC(C)(C)C(N)=O ZINC000872054313 688919820 /nfs/dbraw/zinc/91/98/20/688919820.db2.gz SXCOLIZYIMUADR-SECBINFHSA-N 0 3 311.407 2.479 20 5 DEBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@]1(O)CCOC1 ZINC000872050433 688919859 /nfs/dbraw/zinc/91/98/59/688919859.db2.gz AJLWBGPAFYQEED-YGRLFVJLSA-N 0 3 312.391 2.119 20 5 DEBDHN Cc1c(CN[C@H](CO)C[C@H](O)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000873123849 689163398 /nfs/dbraw/zinc/16/33/98/689163398.db2.gz MRXLWJCYYASZKQ-ZFWWWQNUSA-N 0 3 310.394 2.151 20 5 DEBDHN COc1cc(CNC[C@@H]2C[C@@H]3CCC[C@@H]3O2)c([N+](=O)[O-])cc1O ZINC000873156892 689173090 /nfs/dbraw/zinc/17/30/90/689173090.db2.gz OJFFPFQXSKWMOU-WBIUFABUSA-N 0 3 322.361 2.356 20 5 DEBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000874827142 689501589 /nfs/dbraw/zinc/50/15/89/689501589.db2.gz BZVBDQMVVYOPAC-KBPBESRZSA-N 0 3 307.325 2.043 20 5 DEBDHN CC(=O)N1CCC2(CCN(Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC001035144420 690036274 /nfs/dbraw/zinc/03/62/74/690036274.db2.gz YHYFMMXYIJMAMC-UHFFFAOYSA-N 0 3 317.389 2.429 20 5 DEBDHN O=C(NC[C@@H]1Cc2ccccc2CN1)c1csc([N+](=O)[O-])c1 ZINC000877346887 690083987 /nfs/dbraw/zinc/08/39/87/690083987.db2.gz VEWLMSJDZCUXJI-ZDUSSCGKSA-N 0 3 317.370 2.101 20 5 DEBDHN C[C@H](NC[C@@H](O)CC1(O)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000878659380 690469350 /nfs/dbraw/zinc/46/93/50/690469350.db2.gz BXBAFWLQCMUMFA-WFASDCNBSA-N 0 3 308.378 2.302 20 5 DEBDHN CC(C)(O)C1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000879627548 690693703 /nfs/dbraw/zinc/69/37/03/690693703.db2.gz JXJXOKHKZGQQSF-HNNXBMFYSA-N 0 3 308.378 2.111 20 5 DEBDHN CCN(CCn1c(C)ncc1[N+](=O)[O-])[C@@H](CO)c1ccccc1 ZINC000880462653 690903842 /nfs/dbraw/zinc/90/38/42/690903842.db2.gz IEVCVFGYMSEKKB-HNNXBMFYSA-N 0 3 318.377 2.155 20 5 DEBDHN Cn1cc(CN2CCCC[C@@H](C3CCOCC3)C2)c([N+](=O)[O-])n1 ZINC000880579098 690931723 /nfs/dbraw/zinc/93/17/23/690931723.db2.gz YBWSNPQCKGPNAH-CQSZACIVSA-N 0 3 322.409 2.357 20 5 DEBDHN Cc1c(CN2C[C@H](O)CC3(CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000880588854 690935318 /nfs/dbraw/zinc/93/53/18/690935318.db2.gz HOYHPWZHQTXTPA-OAHLLOKOSA-N 0 3 320.389 2.267 20 5 DEBDHN C[C@@H](N)c1cn(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)nn1 ZINC000881333016 691074936 /nfs/dbraw/zinc/07/49/36/691074936.db2.gz UIDSDBRRUVLMTN-SSDOTTSWSA-N 0 3 315.255 2.273 20 5 DEBDHN O=[N+]([O-])c1ncccc1CN[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000886171634 692017131 /nfs/dbraw/zinc/01/71/31/692017131.db2.gz KQCJOYHAFQHIII-MGPQQGTHSA-N 0 3 303.362 2.427 20 5 DEBDHN CCOC(=O)[C@@H]1CCCC[C@@H]1NCc1cccnc1[N+](=O)[O-] ZINC000886231934 692032071 /nfs/dbraw/zinc/03/20/71/692032071.db2.gz NKQZSSTZLRHOLD-OLZOCXBDSA-N 0 3 307.350 2.201 20 5 DEBDHN CCOc1cc(NC(=O)N[C@H]2CCN(C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000931902198 694501375 /nfs/dbraw/zinc/50/13/75/694501375.db2.gz GCBGZMYPEAWRLT-JQWIXIFHSA-N 0 3 322.365 2.208 20 5 DEBDHN CCC[C@@H](NCCN1CCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000886740617 692180486 /nfs/dbraw/zinc/18/04/86/692180486.db2.gz CLXPSGYIKNCPRQ-CQSZACIVSA-N 0 3 306.366 2.051 20 5 DEBDHN O=C(OCc1csc([N+](=O)[O-])c1)C1CCCN(C2CC2)C1=O ZINC000924061768 693086237 /nfs/dbraw/zinc/08/62/37/693086237.db2.gz CBLWAUOOPISPHT-NSHDSACASA-N 0 3 324.358 2.101 20 5 DEBDHN C[C@H](NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cnnn1C ZINC000926112764 693397792 /nfs/dbraw/zinc/39/77/92/693397792.db2.gz FELICVAZFXKSKC-VIFPVBQESA-N 0 3 309.757 2.270 20 5 DEBDHN CCN1CCCN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000932354823 694600576 /nfs/dbraw/zinc/60/05/76/694600576.db2.gz YMAQJSRLERPCTL-HOTGVXAUSA-N 0 3 317.389 2.253 20 5 DEBDHN C[C@H](c1ccccc1[N+](=O)[O-])n1cc(CNCC2CC2)nn1 ZINC001352982652 1151801637 /nfs/dbraw/zinc/80/16/37/1151801637.db2.gz CGNRGWKWIFBQCL-LLVKDONJSA-N 0 3 301.350 2.295 20 5 DEBDHN CC(C)[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CCN1 ZINC001353622182 1151842383 /nfs/dbraw/zinc/84/23/83/1151842383.db2.gz CVJRLLYFIKTVFU-ARFHVFGLSA-N 0 3 317.389 2.155 20 5 DEBDHN CCOc1cnc(-n2nc(CN)c3ccccc32)c([N+](=O)[O-])c1 ZINC001167696264 777874061 /nfs/dbraw/zinc/87/40/61/777874061.db2.gz VRJLHNPWVTZDEF-UHFFFAOYSA-N 0 3 313.317 2.186 20 5 DEBDHN CCc1occc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001126501793 779220852 /nfs/dbraw/zinc/22/08/52/779220852.db2.gz SQLJCTHUEVLWFT-UHFFFAOYSA-N 0 3 317.345 2.270 20 5 DEBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2CCN(Cc3ccccc3)CC2)C1 ZINC001169012687 785003714 /nfs/dbraw/zinc/00/37/14/785003714.db2.gz RPUOGTAYQHFTJG-IRXDYDNUSA-N 0 3 303.406 2.250 20 5 DEBDHN COC(=O)c1ccc2c(c1)CN([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169036047 785012123 /nfs/dbraw/zinc/01/21/23/785012123.db2.gz MUDNGUICZBLLLS-LRDDRELGSA-N 0 3 318.373 2.277 20 5 DEBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2CCN(c3ccc(Cl)cn3)CC2)C1 ZINC001169039651 785012368 /nfs/dbraw/zinc/01/23/68/785012368.db2.gz RWSWIWNQHKRGAE-GXTWGEPZSA-N 0 3 324.812 2.302 20 5 DEBDHN COC(=O)c1ccc2c(c1)CN([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169046875 785020030 /nfs/dbraw/zinc/02/00/30/785020030.db2.gz OBOCITXRFKBNGT-NHYWBVRUSA-N 0 3 304.346 2.234 20 5 DEBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CC[C@H](N3CCCCC3)[C@@H](F)C2)C1 ZINC001169051944 785023455 /nfs/dbraw/zinc/02/34/55/785023455.db2.gz DPJGTFKWUHYOOT-WCVJEAGWSA-N 0 3 313.417 2.330 20 5 DEBDHN C[C@H](N)c1ccn(-c2nc(C3CC3)nc(Cl)c2[N+](=O)[O-])n1 ZINC001169229819 785097679 /nfs/dbraw/zinc/09/76/79/785097679.db2.gz ZPFLDFNTMLPNAW-LURJTMIESA-N 0 3 308.729 2.121 20 5 DEBDHN C[C@@H](N)c1ccn(-c2nc3cc([N+](=O)[O-])ccc3nc2Cl)n1 ZINC001169229709 785098539 /nfs/dbraw/zinc/09/85/39/785098539.db2.gz LCKUIVZRWLLYOT-SSDOTTSWSA-N 0 3 318.724 2.397 20 5 DEBDHN COc1ccc(C[C@H](C)N2CC[C@H](C(C)=O)C2)c([N+](=O)[O-])c1 ZINC001170355153 786917920 /nfs/dbraw/zinc/91/79/20/786917920.db2.gz VZZGNNBOTLWZMV-FZMZJTMJSA-N 0 3 306.362 2.445 20 5 DEBDHN COc1ccc(C[C@H](C)N2CCC[C@@](C)(O)C2)c([N+](=O)[O-])c1 ZINC001170348505 786931982 /nfs/dbraw/zinc/93/19/82/786931982.db2.gz XVAUXWHSDQVLFF-BLLLJJGKSA-N 0 3 308.378 2.381 20 5 DEBDHN COc1ccc(C[C@H](C)N2CC(N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC001170348706 786932007 /nfs/dbraw/zinc/93/20/07/786932007.db2.gz ZSQWWQKXNHHPGM-ZDUSSCGKSA-N 0 3 319.405 2.314 20 5 DEBDHN C[C@@H](Nc1ncc(F)c2cc([N+](=O)[O-])ccc12)[C@@H]1CNCCO1 ZINC001170568444 787646581 /nfs/dbraw/zinc/64/65/81/787646581.db2.gz HXVCKMQTVOBRNP-OTYXRUKQSA-N 0 3 320.324 2.071 20 5 DEBDHN Cc1cc([N+](=O)[O-])c(OC(C)C)cc1N[C@@H](C)[C@@H]1CNCCO1 ZINC001170576612 787678119 /nfs/dbraw/zinc/67/81/19/787678119.db2.gz VVSJWEULHHFHLB-LRDDRELGSA-N 0 3 323.393 2.479 20 5 DEBDHN COC(=O)C[C@H]1CCCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750050397 791967809 /nfs/dbraw/zinc/96/78/09/791967809.db2.gz AEUHSVXSOBVYBL-HIFRSBDPSA-N 0 3 322.361 2.046 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)NCc2cccnn2)c1F ZINC001173175128 793618818 /nfs/dbraw/zinc/61/88/18/793618818.db2.gz AGUANNWKJLQEAG-SNVBAGLBSA-N 0 3 320.324 2.253 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)n2cnc(CN)c2)c1F ZINC001173175481 793619056 /nfs/dbraw/zinc/61/90/56/793619056.db2.gz OJCIKQAFOWZDFQ-SECBINFHSA-N 0 3 308.313 2.201 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)n2ccc(CN)n2)c1F ZINC001173178274 793620374 /nfs/dbraw/zinc/62/03/74/793620374.db2.gz LRFKKBJUTLJDRG-VIFPVBQESA-N 0 3 308.313 2.201 20 5 DEBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N[C@H](C(N)=O)c1ccccc1 ZINC001173216861 793634898 /nfs/dbraw/zinc/63/48/98/793634898.db2.gz JVFNYSXXGFNJLV-WBMJQRKESA-N 0 3 313.357 2.342 20 5 DEBDHN O=C(Cc1cccs1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001122661410 795792026 /nfs/dbraw/zinc/79/20/26/795792026.db2.gz HUKFLWZBPRIPLA-UHFFFAOYSA-N 0 3 319.386 2.105 20 5 DEBDHN Cc1ccsc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001122710116 795796776 /nfs/dbraw/zinc/79/67/76/795796776.db2.gz JSQGKSNSTAKKRU-UHFFFAOYSA-N 0 3 319.386 2.484 20 5 DEBDHN O=C(Cc1ccsc1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001122947559 795824737 /nfs/dbraw/zinc/82/47/37/795824737.db2.gz ZEBCQNSJIZXQEQ-UHFFFAOYSA-N 0 3 319.386 2.105 20 5 DEBDHN CC(COC(=O)[C@H]1CCCCN1Cc1cccc(F)c1)[N+](=O)[O-] ZINC001122950922 795825838 /nfs/dbraw/zinc/82/58/38/795825838.db2.gz PBOXYCZZNJICOM-IUODEOHRSA-N 0 3 324.352 2.389 20 5 DEBDHN Cc1ccoc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001123536123 795928787 /nfs/dbraw/zinc/92/87/87/795928787.db2.gz YLTXOFHLWYAJQI-UHFFFAOYSA-N 0 3 303.318 2.016 20 5 DEBDHN CSCCC(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001154437664 797535443 /nfs/dbraw/zinc/53/54/43/797535443.db2.gz BGGKAHNCUSWNDK-UHFFFAOYSA-N 0 3 317.436 2.005 20 5 DEBDHN Nc1cc(-n2cncc2CNCc2ccccc2)ncc1[N+](=O)[O-] ZINC001156496742 798015949 /nfs/dbraw/zinc/01/59/49/798015949.db2.gz VBSGJUCFHXMVRT-UHFFFAOYSA-N 0 3 324.344 2.048 20 5 DEBDHN NCc1nn(-c2ncnc3ccc([N+](=O)[O-])cc32)c2ccccc12 ZINC001156855273 798095787 /nfs/dbraw/zinc/09/57/87/798095787.db2.gz ADNXAXGAQLVJNF-UHFFFAOYSA-N 0 3 320.312 2.336 20 5 DEBDHN C[C@H](N)c1ccn(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)n1 ZINC001158348423 798389946 /nfs/dbraw/zinc/38/99/46/798389946.db2.gz GXJFBGRNMOTAQS-LURJTMIESA-N 0 3 317.683 2.457 20 5 DEBDHN Cc1cc([N+](=O)[O-])cc(NCCCN2CCN(C)CC2)c1F ZINC001161711375 798920025 /nfs/dbraw/zinc/92/00/25/798920025.db2.gz ZVDRMSSMNWOTIK-UHFFFAOYSA-N 0 3 310.373 2.092 20 5 DEBDHN COc1ncc([N+](=O)[O-])cc1N[C@@H]1CNCc2ccsc21 ZINC001163226237 799281906 /nfs/dbraw/zinc/28/19/06/799281906.db2.gz DGDLYYHRXDVPID-LLVKDONJSA-N 0 3 306.347 2.316 20 5 DEBDHN O=[N+]([O-])c1ccc2nc(O[C@@H]3CCC[C@]34CC[NH2+]C4)[n-]c2c1 ZINC001218096086 802141929 /nfs/dbraw/zinc/14/19/29/802141929.db2.gz RYCPOTXHOYQBMT-UKRRQHHQSA-N 0 3 302.334 2.382 20 5 DEBDHN O=[N+]([O-])c1ccc2[n-]c(O[C@@H]3CCC[C@]34CC[NH2+]C4)nc2c1 ZINC001218096086 802141931 /nfs/dbraw/zinc/14/19/31/802141931.db2.gz RYCPOTXHOYQBMT-UKRRQHHQSA-N 0 3 302.334 2.382 20 5 DEBDHN COCCN1CCC(Oc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001225441147 802965830 /nfs/dbraw/zinc/96/58/30/802965830.db2.gz LSYINFZMTZQRCW-UHFFFAOYSA-N 0 3 310.350 2.093 20 5 DEBDHN CN1CCC[C@@H](Oc2ncnc3cc(F)c([N+](=O)[O-])cc32)C1 ZINC001226804843 803163237 /nfs/dbraw/zinc/16/32/37/803163237.db2.gz SXGHXLMQOQRZMY-SECBINFHSA-N 0 3 306.297 2.150 20 5 DEBDHN C[C@@H]1CC[N@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C[C@@H]1C ZINC001603909870 1070145908 /nfs/dbraw/zinc/14/59/08/1070145908.db2.gz FJEUFWIINARWED-MNOVXSKESA-N 0 3 316.365 2.253 20 5 DEBDHN C[C@@H]1CC[N@@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C[C@@H]1C ZINC001603909870 1070145912 /nfs/dbraw/zinc/14/59/12/1070145912.db2.gz FJEUFWIINARWED-MNOVXSKESA-N 0 3 316.365 2.253 20 5 DEBDHN CC[C@H](C)[N@H+](CC)Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604007636 1070174426 /nfs/dbraw/zinc/17/44/26/1070174426.db2.gz PUSZOBFBNGZCDT-JTQLQIEISA-N 0 3 304.354 2.395 20 5 DEBDHN CC[C@H](C)[N@@H+](CC)Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604007636 1070174429 /nfs/dbraw/zinc/17/44/29/1070174429.db2.gz PUSZOBFBNGZCDT-JTQLQIEISA-N 0 3 304.354 2.395 20 5 DEBDHN COc1c([O-])ccc(C[NH2+]CC(C)(C)C(C)(C)O)c1[N+](=O)[O-] ZINC001462240188 1058786750 /nfs/dbraw/zinc/78/67/50/1058786750.db2.gz RWBIQIRLXDKWPK-UHFFFAOYSA-N 0 3 312.366 2.196 20 5 DEBDHN COc1c(O)ccc(CNCC(C)(C)C(C)(C)O)c1[N+](=O)[O-] ZINC001462240188 1058786770 /nfs/dbraw/zinc/78/67/70/1058786770.db2.gz RWBIQIRLXDKWPK-UHFFFAOYSA-N 0 3 312.366 2.196 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1CNC1CC(c2nc(C)no2)C1 ZINC001474390718 1060862640 /nfs/dbraw/zinc/86/26/40/1060862640.db2.gz DVNLECJKAANIDY-UHFFFAOYSA-N 0 3 318.333 2.331 20 5 DEBDHN Cc1c([C@@H](C)NC[C@H](O)c2ccc([N+](=O)[O-])cc2)cnn1C ZINC001329135936 1148868155 /nfs/dbraw/zinc/86/81/55/1148868155.db2.gz VLXLOBHEDQRGMD-BMIGLBTASA-N 0 3 304.350 2.021 20 5 DEBDHN CN(CCCNCc1ccccc1[N+](=O)[O-])C(=O)C(C)(C)F ZINC001569176279 1065342649 /nfs/dbraw/zinc/34/26/49/1065342649.db2.gz APVYFPCBWUIZNK-UHFFFAOYSA-N 0 3 311.357 2.281 20 5 DEBDHN C[C@@H]1Cc2n[nH]cc2CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001644507267 1078849457 /nfs/dbraw/zinc/84/94/57/1078849457.db2.gz FZSKGQISHUSADM-BZNIZROVSA-N 0 3 316.361 2.046 20 5 DEBDHN C[C@H]1CCCC[N@@H+]1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590256304 1076601805 /nfs/dbraw/zinc/60/18/05/1076601805.db2.gz BCKXRXSTIDUZGN-JTQLQIEISA-N 0 3 302.338 2.149 20 5 DEBDHN C[C@H]1CCCC[N@H+]1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590256304 1076601808 /nfs/dbraw/zinc/60/18/08/1076601808.db2.gz BCKXRXSTIDUZGN-JTQLQIEISA-N 0 3 302.338 2.149 20 5 DEBDHN CCN1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2C)C(C)(C)C1 ZINC001652602332 1079886429 /nfs/dbraw/zinc/88/64/29/1079886429.db2.gz CLRBGOVTHUOVNN-CQSZACIVSA-N 0 3 305.378 2.363 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCCc1nc(C)no1 ZINC001656408867 1080086343 /nfs/dbraw/zinc/08/63/43/1080086343.db2.gz JLTTYEXSMWFANY-UHFFFAOYSA-N 0 3 320.349 2.407 20 5 DEBDHN COC(=O)N1CCC(NCc2ccc([N+](=O)[O-])cc2F)CC1 ZINC001657913191 1080190036 /nfs/dbraw/zinc/19/00/36/1080190036.db2.gz DDNRPEZINSCLQQ-UHFFFAOYSA-N 0 3 311.313 2.054 20 5 DEBDHN C[C@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccnn1C ZINC001659865358 1080255679 /nfs/dbraw/zinc/25/56/79/1080255679.db2.gz GYFPYSXVANMBAE-NSHDSACASA-N 0 3 317.349 2.008 20 5 DEBDHN CCCN(C)CC(=O)NC/C=C\CNc1ccccc1[N+](=O)[O-] ZINC001107279691 1080705964 /nfs/dbraw/zinc/70/59/64/1080705964.db2.gz AHMITTLPQNKFCS-SREVYHEPSA-N 0 3 320.393 2.021 20 5 DEBDHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1cc[nH]c1 ZINC001482925858 1082564336 /nfs/dbraw/zinc/56/43/36/1082564336.db2.gz BBSPPMHBCPTXQQ-UHFFFAOYSA-N 0 3 316.361 2.175 20 5 DEBDHN CCn1cc(CNCCOc2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC001336252347 1142387959 /nfs/dbraw/zinc/38/79/59/1142387959.db2.gz CRWHQKBYKQQGNU-UHFFFAOYSA-N 0 3 304.350 2.288 20 5 DEBDHN CCc1ccc(C(=O)NC[C@@H]2CCCCN2C)cc1[N+](=O)[O-] ZINC001337534796 1142765401 /nfs/dbraw/zinc/76/54/01/1142765401.db2.gz JLXCARCFFBPYLD-AWEZNQCLSA-N 0 3 305.378 2.371 20 5 DEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC2(COC(=O)N2)CC1 ZINC001254565866 1143250739 /nfs/dbraw/zinc/25/07/39/1143250739.db2.gz QLPXYJMJDYMPKE-GFCCVEGCSA-N 0 3 319.361 2.100 20 5 DEBDHN Cc1c(CNC(=O)NC[C@@H]2CCCCN2C)cccc1[N+](=O)[O-] ZINC001342012276 1143769528 /nfs/dbraw/zinc/76/95/28/1143769528.db2.gz SZMNMSUPDKCDQT-AWEZNQCLSA-N 0 3 320.393 2.187 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCCN2C)c1C ZINC001262652266 1144324849 /nfs/dbraw/zinc/32/48/49/1144324849.db2.gz BFKRMXISQLLQTE-CYBMUJFWSA-N 0 3 305.378 2.426 20 5 DEBDHN CC(COC(=O)c1cccc(C(=O)N2CCCCC2)c1)[N+](=O)[O-] ZINC001263502549 1144378122 /nfs/dbraw/zinc/37/81/22/1144378122.db2.gz WFCDWTGMRJZCEZ-GFCCVEGCSA-N 0 3 320.345 2.135 20 5 DEBDHN COc1ccc(OCCN2CCC[C@@H]2C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000152953008 282158451 /nfs/dbraw/zinc/15/84/51/282158451.db2.gz CVTYBYXETKGCOZ-QWHCGFSZSA-N 0 3 324.377 2.218 20 5 DEBDHN C[C@H]1CN(C)c2ccccc2CN1CCn1cc([N+](=O)[O-])cn1 ZINC000083248311 192368454 /nfs/dbraw/zinc/36/84/54/192368454.db2.gz AWWSFMAIUAZPHG-ZDUSSCGKSA-N 0 3 315.377 2.132 20 5 DEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@H](C)[C@@H]1CN(C)CCO1 ZINC000615721965 362691665 /nfs/dbraw/zinc/69/16/65/362691665.db2.gz QQFUHXOGJBZWKA-RVUPLZSRSA-N 0 3 319.405 2.307 20 5 DEBDHN C[C@H](NC(=O)NCCN(C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000264860316 299154612 /nfs/dbraw/zinc/15/46/12/299154612.db2.gz NKGWTJLMRRYRGU-NSHDSACASA-N 0 3 306.366 2.049 20 5 DEBDHN CN(C)C1(CN(C)C(=O)Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC000188004166 186242472 /nfs/dbraw/zinc/24/24/72/186242472.db2.gz PPRPQEOGIRJAFJ-UHFFFAOYSA-N 0 3 305.378 2.080 20 5 DEBDHN CN1CCC[C@@H]1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000265988685 186350386 /nfs/dbraw/zinc/35/03/86/186350386.db2.gz MESIMUFSFZTUQS-CQSZACIVSA-N 0 3 305.378 2.083 20 5 DEBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000287214711 219385131 /nfs/dbraw/zinc/38/51/31/219385131.db2.gz UZNIOBJQZIJMOW-NEPJUHHUSA-N 0 3 319.365 2.080 20 5 DEBDHN Cc1ccc(CNC(C)(C)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000308638989 282866037 /nfs/dbraw/zinc/86/60/37/282866037.db2.gz XNHPXFBMDMWGCO-UHFFFAOYSA-N 0 3 307.394 2.104 20 5 DEBDHN C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000182172175 199397319 /nfs/dbraw/zinc/39/73/19/199397319.db2.gz RAQWYKJQUCXFTJ-LLVKDONJSA-N 0 3 314.407 2.393 20 5 DEBDHN CCCNC(=O)[C@@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000051043204 354378867 /nfs/dbraw/zinc/37/88/67/354378867.db2.gz VYORBNZBNCKBAT-CQSZACIVSA-N 0 3 305.378 2.333 20 5 DEBDHN CC[C@H](CNc1ccc(C(=O)NC)cc1[N+](=O)[O-])N1CCCC1 ZINC000053561143 354438910 /nfs/dbraw/zinc/43/89/10/354438910.db2.gz CJCLTJDAUXXQQJ-CYBMUJFWSA-N 0 3 320.393 2.241 20 5 DEBDHN C[C@@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])N1CCCC1 ZINC000052641276 354410125 /nfs/dbraw/zinc/41/01/25/354410125.db2.gz SWLHDQRGMJJJCL-JTQLQIEISA-N 0 3 311.769 2.462 20 5 DEBDHN CN(CCNC(=O)c1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000053348728 354430026 /nfs/dbraw/zinc/43/00/26/354430026.db2.gz XARUEVJLMKVLJX-UHFFFAOYSA-N 0 3 313.357 2.457 20 5 DEBDHN O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@H]1CN1CCCC1 ZINC000066944778 354740031 /nfs/dbraw/zinc/74/00/31/354740031.db2.gz PEUKQNFGUPFFBV-HNNXBMFYSA-N 0 3 303.362 2.295 20 5 DEBDHN CC(C)CN1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000072883305 354927642 /nfs/dbraw/zinc/92/76/42/354927642.db2.gz SCDVBSKYEKYLLE-UHFFFAOYSA-N 0 3 309.395 2.082 20 5 DEBDHN Cc1c(CN2CCC(c3nnc[nH]3)CC2)cccc1[N+](=O)[O-] ZINC000083443247 355467432 /nfs/dbraw/zinc/46/74/32/355467432.db2.gz BUSWNGCSBIFMOM-UHFFFAOYSA-N 0 3 301.350 2.401 20 5 DEBDHN Cc1c(CN2CCC(c3nc[nH]n3)CC2)cccc1[N+](=O)[O-] ZINC000083443247 355467436 /nfs/dbraw/zinc/46/74/36/355467436.db2.gz BUSWNGCSBIFMOM-UHFFFAOYSA-N 0 3 301.350 2.401 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](C)C1CCOCC1 ZINC000179856757 356035028 /nfs/dbraw/zinc/03/50/28/356035028.db2.gz HFBOCTAWJCGFGK-LBPRGKRZSA-N 0 3 321.377 2.246 20 5 DEBDHN CC(C)Oc1nc(N2CCC[C@@H]2CN(C)C)ccc1[N+](=O)[O-] ZINC000578881849 356886789 /nfs/dbraw/zinc/88/67/89/356886789.db2.gz GUYMARIRNDPSFT-GFCCVEGCSA-N 0 3 308.382 2.307 20 5 DEBDHN CCOc1cc(CN[C@@H]2CCCC[C@@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000276899000 213161821 /nfs/dbraw/zinc/16/18/21/213161821.db2.gz LKCKBJUMSROWEF-QWHCGFSZSA-N 0 3 321.377 2.127 20 5 DEBDHN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]1CCCCN1 ZINC000237256811 202207842 /nfs/dbraw/zinc/20/78/42/202207842.db2.gz PPUUPCBCDBUTPB-ZDUSSCGKSA-N 0 3 311.769 2.349 20 5 DEBDHN C[S@@](=O)C1(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])CCC1 ZINC000584790883 357310881 /nfs/dbraw/zinc/31/08/81/357310881.db2.gz WPISXEPYXPTHOR-YEJXKQKISA-N 0 3 308.403 2.473 20 5 DEBDHN CCOc1cc(CN[C@@H](C)Cn2cccn2)ccc1[N+](=O)[O-] ZINC000276824164 213115486 /nfs/dbraw/zinc/11/54/86/213115486.db2.gz ACGQGTBXWUCTAB-LBPRGKRZSA-N 0 3 304.350 2.368 20 5 DEBDHN O=C1NCCC[C@H]1CN[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000591348203 357709573 /nfs/dbraw/zinc/70/95/73/357709573.db2.gz JAFDIBVGIBSUNI-XJKSGUPXSA-N 0 3 317.389 2.478 20 5 DEBDHN CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@H]1CCCN1C ZINC000591479459 357730419 /nfs/dbraw/zinc/73/04/19/357730419.db2.gz LNUJNIBEVWPNQR-GFCCVEGCSA-N 0 3 304.350 2.262 20 5 DEBDHN CC(C)N1CC[C@@H](N(C)C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593171123 358026313 /nfs/dbraw/zinc/02/63/13/358026313.db2.gz SFBFBHNQYXERBP-CQSZACIVSA-N 0 3 323.368 2.218 20 5 DEBDHN CN(CCN1CCCCC1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000593884671 358164636 /nfs/dbraw/zinc/16/46/36/358164636.db2.gz WHKGPTLNWSQRDT-UHFFFAOYSA-N 0 3 309.341 2.292 20 5 DEBDHN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594197373 358221542 /nfs/dbraw/zinc/22/15/42/358221542.db2.gz NHYGGXXIXCUFMG-HOTGVXAUSA-N 0 3 317.389 2.270 20 5 DEBDHN NC(=O)c1ccc(N[C@@H]2CCCN3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000594602526 358302908 /nfs/dbraw/zinc/30/29/08/358302908.db2.gz QYMHCSAIULHSMX-OCCSQVGLSA-N 0 3 318.377 2.123 20 5 DEBDHN O=[N+]([O-])c1ccc(-n2cc(CCN3CCCCC3)nn2)cc1 ZINC000594640079 358307774 /nfs/dbraw/zinc/30/77/74/358307774.db2.gz GZAGQZJZYWHRLR-UHFFFAOYSA-N 0 3 301.350 2.204 20 5 DEBDHN C[C@@H](NCc1cc([N+](=O)[O-])ccc1OC(F)F)C1(CO)CC1 ZINC000594966980 358371246 /nfs/dbraw/zinc/37/12/46/358371246.db2.gz UBUKIEDQHDXAIS-SECBINFHSA-N 0 3 316.304 2.447 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@]1(O)CCSC1 ZINC000595011014 358377937 /nfs/dbraw/zinc/37/79/37/358377937.db2.gz FTQXUDMQEXGHGS-YGRLFVJLSA-N 0 3 312.391 2.122 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H](CCO)CSC ZINC000595024976 358379879 /nfs/dbraw/zinc/37/98/79/358379879.db2.gz IIDNEVVUPNVIOE-QWRGUYRKSA-N 0 3 314.407 2.368 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCC1(O)CCOCC1 ZINC000595051055 358384139 /nfs/dbraw/zinc/38/41/39/358384139.db2.gz RWHJRBGSPUTHIK-GFCCVEGCSA-N 0 3 324.377 2.186 20 5 DEBDHN CNC(=O)c1ccc(N[C@@H]2CCN(C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000596337157 358669540 /nfs/dbraw/zinc/66/95/40/358669540.db2.gz VENJOEUOMYHSJO-GFCCVEGCSA-N 0 3 320.393 2.239 20 5 DEBDHN Cc1ccc(CN(CCOCCO)C2CCC2)cc1[N+](=O)[O-] ZINC000597205508 358852570 /nfs/dbraw/zinc/85/25/70/358852570.db2.gz GNJWETGKVNYFKP-UHFFFAOYSA-N 0 3 308.378 2.267 20 5 DEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)C[C@H]1COCCO1 ZINC000597208261 358854422 /nfs/dbraw/zinc/85/44/22/358854422.db2.gz XVOCTKSWBBATFR-RQPMMQJISA-N 0 3 306.362 2.345 20 5 DEBDHN O=c1ccc([C@@H]2OCC[C@H]2NCc2cccc([N+](=O)[O-])c2)c[nH]1 ZINC000598997809 359379044 /nfs/dbraw/zinc/37/90/44/359379044.db2.gz JICOKONCGFKWOC-ZBFHGGJFSA-N 0 3 315.329 2.315 20 5 DEBDHN CCC[C@@H](CCO)NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000601140384 359938453 /nfs/dbraw/zinc/93/84/53/359938453.db2.gz VBCYIRRKEWBSFR-LBPRGKRZSA-N 0 3 310.350 2.007 20 5 DEBDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601180439 359954720 /nfs/dbraw/zinc/95/47/20/359954720.db2.gz OORQXBPFKFURNA-NSHDSACASA-N 0 3 309.341 2.148 20 5 DEBDHN CO[C@]1(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCOC1 ZINC000602440131 360373842 /nfs/dbraw/zinc/37/38/42/360373842.db2.gz NXZGQYSLWZREPM-INIZCTEOSA-N 0 3 306.362 2.365 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)Cc1ccccc1N(C)C ZINC000602833327 360578492 /nfs/dbraw/zinc/57/84/92/360578492.db2.gz OIJUGFAVBQBDBN-UHFFFAOYSA-N 0 3 317.393 2.298 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H](c2ccncc2)C1 ZINC000602827630 360575031 /nfs/dbraw/zinc/57/50/31/360575031.db2.gz MCAHWRQUFGNJHD-OAHLLOKOSA-N 0 3 315.377 2.374 20 5 DEBDHN C[C@H]1OCC[C@H]1CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000602762045 360539743 /nfs/dbraw/zinc/53/97/43/360539743.db2.gz FOXQGXTWBPMZQC-KGLIPLIRSA-N 0 3 305.378 2.142 20 5 DEBDHN CC1(F)CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000602992184 360659351 /nfs/dbraw/zinc/65/93/51/360659351.db2.gz AFHKPSLYBYYYMZ-ZDUSSCGKSA-N 0 3 312.341 2.159 20 5 DEBDHN CSc1ccc(C(=O)NCC2=CCN(C)CC2)cc1[N+](=O)[O-] ZINC000271993213 209366905 /nfs/dbraw/zinc/36/69/05/209366905.db2.gz QEKBLQUTRNTNNJ-UHFFFAOYSA-N 0 3 321.402 2.308 20 5 DEBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000609383602 361308440 /nfs/dbraw/zinc/30/84/40/361308440.db2.gz WESQJTQKYQBEHT-GFCCVEGCSA-N 0 3 323.780 2.462 20 5 DEBDHN NC(=O)c1ccc(CN2CC[C@H](c3ccco3)C2)c([N+](=O)[O-])c1 ZINC000609539857 361319386 /nfs/dbraw/zinc/31/93/86/361319386.db2.gz FLIOXINCCULWKR-ZDUSSCGKSA-N 0 3 315.329 2.276 20 5 DEBDHN CC[C@H](CN1CCCC1)NC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000609833533 361342238 /nfs/dbraw/zinc/34/22/38/361342238.db2.gz MMYHSQOPLPZSMY-CYBMUJFWSA-N 0 3 320.393 2.241 20 5 DEBDHN CCn1cnnc1CCN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000611336003 361581429 /nfs/dbraw/zinc/58/14/29/361581429.db2.gz JQULDQIHVLCAEB-LBPRGKRZSA-N 0 3 303.366 2.408 20 5 DEBDHN CO[C@H]1CCC[C@@H]1CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611377035 361588014 /nfs/dbraw/zinc/58/80/14/361588014.db2.gz QXAQIMOFZRTKMX-RISCZKNCSA-N 0 3 322.361 2.271 20 5 DEBDHN CCN1CCC[C@@H]1CN(C)C(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000194792675 201289837 /nfs/dbraw/zinc/28/98/37/201289837.db2.gz UYLSLQVJDPALLE-CYBMUJFWSA-N 0 3 305.378 2.460 20 5 DEBDHN CCOc1ccc([C@H](C)N[C@@H](CO)CCOC)cc1[N+](=O)[O-] ZINC000281778155 216536524 /nfs/dbraw/zinc/53/65/24/216536524.db2.gz XCRZWNGGWDOIBV-WCQYABFASA-N 0 3 312.366 2.042 20 5 DEBDHN CC[C@H](C)NC(=O)[C@@H](C)N[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449217598 240214492 /nfs/dbraw/zinc/21/44/92/240214492.db2.gz AICQLLACOIIKAO-RWMBFGLXSA-N 0 3 307.394 2.419 20 5 DEBDHN CO[C@H]1CCCC[C@@H]1NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000275242621 212218732 /nfs/dbraw/zinc/21/87/32/212218732.db2.gz ORSMMIQXJOMCOK-GJZGRUSLSA-N 0 3 321.377 2.105 20 5 DEBDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000452341136 244169048 /nfs/dbraw/zinc/16/90/48/244169048.db2.gz GIZYTHHOPDZGIM-ZDUSSCGKSA-N 0 3 322.409 2.174 20 5 DEBDHN CCN1C[C@H](N[C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1=O ZINC000453330855 245076996 /nfs/dbraw/zinc/07/69/96/245076996.db2.gz TWKDIYGLGNOKLB-CABCVRRESA-N 0 3 317.389 2.126 20 5 DEBDHN COCCN1CC[C@@H](Nc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000264812177 204176105 /nfs/dbraw/zinc/17/61/05/204176105.db2.gz DUIPFIJGPSNYJO-GFCCVEGCSA-N 0 3 316.361 2.276 20 5 DEBDHN CC(C)NC(=O)c1ccc(NCCN(C)C2CC2)c([N+](=O)[O-])c1 ZINC000264956077 204301039 /nfs/dbraw/zinc/30/10/39/204301039.db2.gz WKZCQMQOYHKLGD-UHFFFAOYSA-N 0 3 320.393 2.239 20 5 DEBDHN Cc1c(C(=O)NC[C@@]2(N(C)C)CCSC2)cccc1[N+](=O)[O-] ZINC000267144226 205842726 /nfs/dbraw/zinc/84/27/26/205842726.db2.gz VEYKBZNVCKFJAI-HNNXBMFYSA-N 0 3 323.418 2.070 20 5 DEBDHN Cc1c(CC(=O)NC2CCN(C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000160243571 197395247 /nfs/dbraw/zinc/39/52/47/197395247.db2.gz BEYZQDRFNXVZHM-UHFFFAOYSA-N 0 3 317.389 2.189 20 5 DEBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@H](N2CCOCC2)C[C@H]1C ZINC000285775555 296240777 /nfs/dbraw/zinc/24/07/77/296240777.db2.gz DQAUDIXWHLGLHO-QLFBSQMISA-N 0 3 319.405 2.451 20 5 DEBDHN CCOc1cc(CN[C@@H]2CCOC[C@@H]2OCC)ccc1[N+](=O)[O-] ZINC000492876815 249162068 /nfs/dbraw/zinc/16/20/68/249162068.db2.gz XRJUHPIEDVRJHG-CJNGLKHVSA-N 0 3 324.377 2.277 20 5 DEBDHN C[C@H](NC(=O)N1CCC[C@@H](N(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000105159718 194080699 /nfs/dbraw/zinc/08/06/99/194080699.db2.gz NUCVCJFZMQNTCR-SWLSCSKDSA-N 0 3 320.393 2.391 20 5 DEBDHN C[C@@H](NC(=O)N1CCC[C@@H](N(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000105159723 194080976 /nfs/dbraw/zinc/08/09/76/194080976.db2.gz NUCVCJFZMQNTCR-IUODEOHRSA-N 0 3 320.393 2.391 20 5 DEBDHN CCOC(=O)N1CC[C@@H](N[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000285146184 218309298 /nfs/dbraw/zinc/30/92/98/218309298.db2.gz LZXITQFXQARVKV-CMPLNLGQSA-N 0 3 322.365 2.058 20 5 DEBDHN CC(C)COC[C@H](O)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000285335601 218387168 /nfs/dbraw/zinc/38/71/68/218387168.db2.gz OHKPONHSVGRNEB-OAHLLOKOSA-N 0 3 310.394 2.103 20 5 DEBDHN CCC[C@H](NC[C@H](O)c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000268925149 207091878 /nfs/dbraw/zinc/09/18/78/207091878.db2.gz VRYKJGDOPJQRMS-HOTGVXAUSA-N 0 3 318.377 2.493 20 5 DEBDHN COc1cc(NC[C@@H]2CCCN(C)C2)c([N+](=O)[O-])cc1OC ZINC000301955031 533034426 /nfs/dbraw/zinc/03/44/26/533034426.db2.gz KNYFGLOJWHPARB-NSHDSACASA-N 0 3 309.366 2.366 20 5 DEBDHN CCc1ncc(CNCCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000556882404 291850295 /nfs/dbraw/zinc/85/02/95/291850295.db2.gz BXDFQDAUEGVBPY-UHFFFAOYSA-N 0 3 302.334 2.116 20 5 DEBDHN C[C@H](CCN(C)C)NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000294929133 224318450 /nfs/dbraw/zinc/31/84/50/224318450.db2.gz LGJWELBHHBQIRU-GFCCVEGCSA-N 0 3 321.377 2.014 20 5 DEBDHN CN(C)CCN(C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000289930120 221324253 /nfs/dbraw/zinc/32/42/53/221324253.db2.gz WIHFXAUKSYOOLN-UHFFFAOYSA-N 0 3 303.309 2.190 20 5 DEBDHN C[C@@H](N[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294544995 533514564 /nfs/dbraw/zinc/51/45/64/533514564.db2.gz ANDJYNVGWRAPNQ-ZYHUDNBSSA-N 0 3 320.393 2.227 20 5 DEBDHN C[C@@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000355345746 133019601 /nfs/dbraw/zinc/01/96/01/133019601.db2.gz KMFMRKOVMIYSIN-FRRDWIJNSA-N 0 3 321.377 2.327 20 5 DEBDHN CC(C)c1ccc(CN2CC[C@](C)(C(N)=O)C2)cc1[N+](=O)[O-] ZINC000355725846 133044364 /nfs/dbraw/zinc/04/43/64/133044364.db2.gz HGGHIGCVRQJIRN-INIZCTEOSA-N 0 3 305.378 2.416 20 5 DEBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000356263170 133075460 /nfs/dbraw/zinc/07/54/60/133075460.db2.gz GKAQSPFSGRBVQC-XHDPSFHLSA-N 0 3 321.352 2.433 20 5 DEBDHN C[C@H](C(=O)N(C)[C@@H]1CCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000564718000 292106953 /nfs/dbraw/zinc/10/69/53/292106953.db2.gz DRFIKZVCUFTSKU-SWLSCSKDSA-N 0 3 305.378 2.251 20 5 DEBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000246749923 145112848 /nfs/dbraw/zinc/11/28/48/145112848.db2.gz PPEHKCNYBZSSBR-JQWIXIFHSA-N 0 3 309.391 2.213 20 5 DEBDHN CCOC[C@H](NCC(=O)Nc1c(C)cccc1[N+](=O)[O-])C(C)C ZINC000348478696 146275978 /nfs/dbraw/zinc/27/59/78/146275978.db2.gz NEQKZPJZOPODMG-ZDUSSCGKSA-N 0 3 323.393 2.492 20 5 DEBDHN COc1ccc(CN[C@H](C)Cc2cnccn2)cc1[N+](=O)[O-] ZINC000358729540 147191821 /nfs/dbraw/zinc/19/18/21/147191821.db2.gz GMUCGMXDRVUXNZ-LLVKDONJSA-N 0 3 302.334 2.114 20 5 DEBDHN O=[N+]([O-])c1ccccc1OCCN[C@@H](CO)c1cccc(F)c1 ZINC000359520246 147343404 /nfs/dbraw/zinc/34/34/04/147343404.db2.gz JMOQKDWISIISGY-AWEZNQCLSA-N 0 3 320.320 2.436 20 5 DEBDHN C[C@@H](N[C@H]1CCN(c2cnn(C)c2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000371878004 148148484 /nfs/dbraw/zinc/14/84/84/148148484.db2.gz DFEPKPUYJGJBCE-OCCSQVGLSA-N 0 3 315.377 2.258 20 5 DEBDHN CN(C)Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000128539833 401782059 /nfs/dbraw/zinc/78/20/59/401782059.db2.gz DUBZRLWPPYLNHR-UHFFFAOYSA-N 0 3 303.318 2.179 20 5 DEBDHN CN(C)CCN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000078429013 401851129 /nfs/dbraw/zinc/85/11/29/401851129.db2.gz MIYOTQACIZIHSZ-UHFFFAOYSA-N 0 3 317.345 2.392 20 5 DEBDHN O=[N+]([O-])c1cc(CNCCCOC[C@@H]2CCCO2)cs1 ZINC000037562632 401915149 /nfs/dbraw/zinc/91/51/49/401915149.db2.gz QSNVMTFJJGCEHX-LBPRGKRZSA-N 0 3 300.380 2.332 20 5 DEBDHN COc1ccc(OCCN2CCC[C@H]2C(C)(C)O)c([N+](=O)[O-])c1 ZINC000122356277 402074735 /nfs/dbraw/zinc/07/47/35/402074735.db2.gz GONBTJDHDZTNML-HNNXBMFYSA-N 0 3 324.377 2.218 20 5 DEBDHN Cc1c(CC(=O)N(C)C[C@H]2CCCN(C)C2)cccc1[N+](=O)[O-] ZINC000123325032 402122151 /nfs/dbraw/zinc/12/21/51/402122151.db2.gz AGMWXSJEOJBSKU-AWEZNQCLSA-N 0 3 319.405 2.246 20 5 DEBDHN O=[N+]([O-])c1ccc(OCCN2CCN(CC3CC3)CC2)cc1 ZINC000065535497 402125804 /nfs/dbraw/zinc/12/58/04/402125804.db2.gz GIQMDOUDPGOUSH-UHFFFAOYSA-N 0 3 305.378 2.001 20 5 DEBDHN CN1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000070074373 402256870 /nfs/dbraw/zinc/25/68/70/402256870.db2.gz GEKMKBWFVJIIKI-SNVBAGLBSA-N 0 3 311.769 2.320 20 5 DEBDHN NC(=O)c1ccc(CN2C[C@@H]3CCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000177542900 402414258 /nfs/dbraw/zinc/41/42/58/402414258.db2.gz IPYYXTUNLJSDQN-STQMWFEESA-N 0 3 303.362 2.316 20 5 DEBDHN Cc1ccc(C(=O)N(C)[C@H]2CCN(C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000247296907 402562556 /nfs/dbraw/zinc/56/25/56/402562556.db2.gz GTABZOVHLHFSSB-OCCSQVGLSA-N 0 3 305.378 2.315 20 5 DEBDHN C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](C)C1 ZINC000252223141 402653019 /nfs/dbraw/zinc/65/30/19/402653019.db2.gz ZOTWRYUUQPCPGC-UONOGXRCSA-N 0 3 319.405 2.374 20 5 DEBDHN CN1CCC[C@H](CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000255002259 402674815 /nfs/dbraw/zinc/67/48/15/402674815.db2.gz UDNQERMWIJMLMX-DEBLGDTFSA-N 0 3 303.362 2.066 20 5 DEBDHN C[C@@H]1C[C@H](NC(=O)/C=C\c2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000255541055 402690372 /nfs/dbraw/zinc/69/03/72/402690372.db2.gz KDQPLCZIJVUKFS-LQGBBJIQSA-N 0 3 315.373 2.349 20 5 DEBDHN Cc1nc(NC(=O)C2CCN(C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000192689513 402744223 /nfs/dbraw/zinc/74/42/23/402744223.db2.gz BKZOYJYBCDKNMJ-UHFFFAOYSA-N 0 3 304.350 2.111 20 5 DEBDHN CC[C@H](NC[C@H](O)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000271442533 402871368 /nfs/dbraw/zinc/87/13/68/402871368.db2.gz DOBKUCOAOWYOJO-HOTGVXAUSA-N 0 3 308.378 2.423 20 5 DEBDHN CCc1ccc(C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000272441427 402937687 /nfs/dbraw/zinc/93/76/87/402937687.db2.gz IRQQUZRAOJKANP-CJNGLKHVSA-N 0 3 317.389 2.323 20 5 DEBDHN C[C@H](N[C@H]1CCC[C@H]1CCO)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000279371713 402935742 /nfs/dbraw/zinc/93/57/42/402935742.db2.gz XCLYAXYKOVVDGB-HUBLWGQQSA-N 0 3 321.377 2.063 20 5 DEBDHN C[C@H]1CC[C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000273428940 403003921 /nfs/dbraw/zinc/00/39/21/403003921.db2.gz KTLQCPSEFBGWKT-NWDGAFQWSA-N 0 3 312.391 2.147 20 5 DEBDHN C[C@@H]1CCC[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273487889 403009103 /nfs/dbraw/zinc/00/91/03/403009103.db2.gz WCGJMERMZGDVHE-BXUZGUMPSA-N 0 3 312.391 2.147 20 5 DEBDHN O=[N+]([O-])c1ccc(CN2CCN(C3CCOCC3)CC2)c(F)c1 ZINC000267087433 403014224 /nfs/dbraw/zinc/01/42/24/403014224.db2.gz ZXFWFMNTMMUNFR-UHFFFAOYSA-N 0 3 323.368 2.031 20 5 DEBDHN COCc1cc([N+](=O)[O-])ccc1N1CC[C@H](N2CC=CC2)C1 ZINC000267107610 403016162 /nfs/dbraw/zinc/01/61/62/403016162.db2.gz XVHPHSBOPOCDOJ-HNNXBMFYSA-N 0 3 303.362 2.192 20 5 DEBDHN CC1(C)CN(CCc2ccc([N+](=O)[O-])cc2)C[C@]2(CCOC2)O1 ZINC000280250536 402979539 /nfs/dbraw/zinc/97/95/39/402979539.db2.gz BKLYPTIMKLPJMQ-KRWDZBQOSA-N 0 3 320.389 2.407 20 5 DEBDHN Cc1cccc(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000268154974 403055362 /nfs/dbraw/zinc/05/53/62/403055362.db2.gz HAMXUGDVKDTZMV-SMDDNHRTSA-N 0 3 303.362 2.116 20 5 DEBDHN C[C@H](Nc1ncc([N+](=O)[O-])cn1)[C@H](c1ccccc1)N(C)C ZINC000281065812 403058057 /nfs/dbraw/zinc/05/80/57/403058057.db2.gz ZRAGFBUBDRZCFX-SMDDNHRTSA-N 0 3 301.350 2.488 20 5 DEBDHN CC(C)N1CCC[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000274505539 403062020 /nfs/dbraw/zinc/06/20/20/403062020.db2.gz PYIYTKUBDJLLMX-AWEZNQCLSA-N 0 3 305.378 2.126 20 5 DEBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000268232108 403064672 /nfs/dbraw/zinc/06/46/72/403064672.db2.gz SMDZMNRJGWOVMG-ZANVPECISA-N 0 3 323.780 2.461 20 5 DEBDHN O=[N+]([O-])c1ccc(CN2CCN(C3CCOCC3)CC2)cc1F ZINC000276322528 403163663 /nfs/dbraw/zinc/16/36/63/403163663.db2.gz PBQHOQFDMRPCBP-UHFFFAOYSA-N 0 3 323.368 2.031 20 5 DEBDHN CN(CCCCO)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000276355712 403166849 /nfs/dbraw/zinc/16/68/49/403166849.db2.gz JMFPKWRNFWJFFZ-UHFFFAOYSA-N 0 3 319.361 2.497 20 5 DEBDHN COCC[C@@H](CO)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000282280572 403139514 /nfs/dbraw/zinc/13/95/14/403139514.db2.gz QJAFIDLFLBJMNT-ZDUSSCGKSA-N 0 3 320.345 2.342 20 5 DEBDHN CN(C)C1(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CCC1 ZINC000276098140 403145916 /nfs/dbraw/zinc/14/59/16/403145916.db2.gz YSJNIMHFOZCNAR-UHFFFAOYSA-N 0 3 316.361 2.290 20 5 DEBDHN CCN1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000277368859 403210158 /nfs/dbraw/zinc/21/01/58/403210158.db2.gz CWKYXCHHJIFPMP-CYBMUJFWSA-N 0 3 321.377 2.208 20 5 DEBDHN Cc1ccc([C@H](O)CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)o1 ZINC000283860357 403228753 /nfs/dbraw/zinc/22/87/53/403228753.db2.gz BNSZVDWIRUOXNA-QMTHXVAHSA-N 0 3 305.334 2.463 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000277571755 403231964 /nfs/dbraw/zinc/23/19/64/403231964.db2.gz LFCRDNPBMGUIEK-FZMZJTMJSA-N 0 3 321.377 2.016 20 5 DEBDHN COC(=O)c1cnc(NCCN2CCCCCC2)c([N+](=O)[O-])c1 ZINC000276534157 403184389 /nfs/dbraw/zinc/18/43/89/403184389.db2.gz IAGALAZJVTYPOC-UHFFFAOYSA-N 0 3 322.365 2.064 20 5 DEBDHN CS[C@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)C[C@H]1N(C)C ZINC000270386444 403186557 /nfs/dbraw/zinc/18/65/57/403186557.db2.gz RIPSMOKTJGDQLN-MNOVXSKESA-N 0 3 316.814 2.125 20 5 DEBDHN CS[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000270469719 403193142 /nfs/dbraw/zinc/19/31/42/403193142.db2.gz MIMSNEXACFEQJZ-CHWSQXEVSA-N 0 3 324.406 2.104 20 5 DEBDHN CC(C)OCCN1CCC(Nc2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000283438364 403197643 /nfs/dbraw/zinc/19/76/43/403197643.db2.gz CAZYVTNVAGSAOU-UHFFFAOYSA-N 0 3 322.409 2.478 20 5 DEBDHN COc1cc(C[NH2+]C[C@@H]2CCOC[C@H]2C)c([N+](=O)[O-])cc1[O-] ZINC000285644332 403348180 /nfs/dbraw/zinc/34/81/80/403348180.db2.gz XXEXJSAVGSSUIG-MNOVXSKESA-N 0 3 310.350 2.071 20 5 DEBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CC[C@@H]3CCCCO3)C2)nc1 ZINC000331497184 403400412 /nfs/dbraw/zinc/40/04/12/403400412.db2.gz BDKHTTYHUMAQIR-ZFWWWQNUSA-N 0 3 320.393 2.435 20 5 DEBDHN O=[N+]([O-])c1cccc(CN[C@@H](C2CC2)[C@@]2(CO)CCCO2)c1 ZINC000339770661 403444290 /nfs/dbraw/zinc/44/42/90/403444290.db2.gz XJRLNMYUOLCNIS-HOTGVXAUSA-N 0 3 306.362 2.005 20 5 DEBDHN CCCN(CCN(C)C)C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000343057517 403447503 /nfs/dbraw/zinc/44/75/03/403447503.db2.gz FPMGCOBEZBBXOU-UHFFFAOYSA-N 0 3 309.366 2.017 20 5 DEBDHN C[C@H]1CCC[C@H]1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000331680489 403450892 /nfs/dbraw/zinc/45/08/92/403450892.db2.gz SVDIXLBQEBZZCV-SMDDNHRTSA-N 0 3 303.362 2.262 20 5 DEBDHN CCN1CCN(CCCNc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000298757597 403457538 /nfs/dbraw/zinc/45/75/38/403457538.db2.gz YQEAHWATFXJNND-UHFFFAOYSA-N 0 3 306.410 2.343 20 5 DEBDHN C[C@H]1C[C@H](N2CCCC2)CN1c1ccc([N+](=O)[O-])c(N)c1F ZINC000286237713 403479134 /nfs/dbraw/zinc/47/91/34/403479134.db2.gz FCAKRZKVCNKCHO-QWRGUYRKSA-N 0 3 308.357 2.379 20 5 DEBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCC1=CCN(C)CC1 ZINC000286662541 403537698 /nfs/dbraw/zinc/53/76/98/403537698.db2.gz YJHQQRULKWDEQX-UHFFFAOYSA-N 0 3 319.361 2.364 20 5 DEBDHN CCN1CCC[C@@H]1CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000299174516 403540885 /nfs/dbraw/zinc/54/08/85/403540885.db2.gz WTELYLRWNRPOLW-GFCCVEGCSA-N 0 3 316.361 2.290 20 5 DEBDHN C[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000299082144 403517470 /nfs/dbraw/zinc/51/74/70/403517470.db2.gz XRMPOIGEPPGRMV-CHWSQXEVSA-N 0 3 305.378 2.445 20 5 DEBDHN CCn1ccnc1[C@@H]1OCC[C@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000343404754 403574143 /nfs/dbraw/zinc/57/41/43/403574143.db2.gz YZOVLGQWNULGPF-HUUCEWRRSA-N 0 3 316.361 2.431 20 5 DEBDHN CCN1CCC(N(C)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000301255862 403607602 /nfs/dbraw/zinc/60/76/02/403607602.db2.gz KHQGXNVBBDMCNM-UHFFFAOYSA-N 0 3 308.338 2.424 20 5 DEBDHN CCCN1CCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1NC ZINC000343551200 403634110 /nfs/dbraw/zinc/63/41/10/403634110.db2.gz POZXYVDUIBAWFO-GFCCVEGCSA-N 0 3 320.393 2.241 20 5 DEBDHN O=[N+]([O-])c1cc(F)ccc1NC1CCN([C@H]2CCOC2)CC1 ZINC000301723167 403669796 /nfs/dbraw/zinc/66/97/96/403669796.db2.gz OBYNJFWXTOFNAT-ZDUSSCGKSA-N 0 3 309.341 2.399 20 5 DEBDHN Cc1cc(N[C@@H]2CCCN(CCCO)C2)c(F)cc1[N+](=O)[O-] ZINC000295045944 403741227 /nfs/dbraw/zinc/74/12/27/403741227.db2.gz XCXCQVIBYIMJGY-GFCCVEGCSA-N 0 3 311.357 2.301 20 5 DEBDHN Cc1cc(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000343822554 403746565 /nfs/dbraw/zinc/74/65/65/403746565.db2.gz GWSQSFHKBVDQKZ-FZMZJTMJSA-N 0 3 303.362 2.116 20 5 DEBDHN C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CCN(C2CC2)C1 ZINC000295279353 403828745 /nfs/dbraw/zinc/82/87/45/403828745.db2.gz HNRGPTODSHHRBR-LBPRGKRZSA-N 0 3 303.362 2.151 20 5 DEBDHN CC(C)Oc1cc(C(=O)NC[C@H]2CCN(C)C2)ccc1[N+](=O)[O-] ZINC000411548249 403889359 /nfs/dbraw/zinc/88/93/59/403889359.db2.gz DQGBXFHNYZPCCS-GFCCVEGCSA-N 0 3 321.377 2.064 20 5 DEBDHN CN1CCC[C@@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000289316337 403907944 /nfs/dbraw/zinc/90/79/44/403907944.db2.gz BDBYBPRNEXNBLR-SECBINFHSA-N 0 3 312.757 2.464 20 5 DEBDHN C[C@H](CN(C)C)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000348062584 404025627 /nfs/dbraw/zinc/02/56/27/404025627.db2.gz KUWFVROFAJUGKN-MRVPVSSYSA-N 0 3 300.746 2.320 20 5 DEBDHN COc1ccc(OCCN2CCC[C@@H](CO)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000412084198 404119988 /nfs/dbraw/zinc/11/99/88/404119988.db2.gz NOAPJNFABODCQL-STQMWFEESA-N 0 3 324.377 2.075 20 5 DEBDHN C[C@H](NC(=O)C12CCCN1CCC2)c1ccccc1[N+](=O)[O-] ZINC000290330806 404129256 /nfs/dbraw/zinc/12/92/56/404129256.db2.gz JKJOTFRVXURSKF-LBPRGKRZSA-N 0 3 303.362 2.400 20 5 DEBDHN C[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000412126597 404147627 /nfs/dbraw/zinc/14/76/27/404147627.db2.gz FBSCNKLNJGTCSK-DLKVLKDVSA-N 0 3 317.389 2.297 20 5 DEBDHN COc1cc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1[O-] ZINC000337786028 404239283 /nfs/dbraw/zinc/23/92/83/404239283.db2.gz BJXJMEMJUQWHOA-CHWSQXEVSA-N 0 3 321.377 2.025 20 5 DEBDHN COc1cc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1[O-] ZINC000337786028 404239291 /nfs/dbraw/zinc/23/92/91/404239291.db2.gz BJXJMEMJUQWHOA-CHWSQXEVSA-N 0 3 321.377 2.025 20 5 DEBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000344618709 404265225 /nfs/dbraw/zinc/26/52/25/404265225.db2.gz PUHMTVRWEHLFOV-OAHLLOKOSA-N 0 3 319.405 2.374 20 5 DEBDHN CC(C)N1C[C@@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])CC1=O ZINC000567406630 292311757 /nfs/dbraw/zinc/31/17/57/292311757.db2.gz NOORNXAGXHGIGB-FZMZJTMJSA-N 0 3 303.362 2.181 20 5 DEBDHN CN(C[C@H](O)COc1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000290771221 404305237 /nfs/dbraw/zinc/30/52/37/404305237.db2.gz LPKXAAJISOSFQT-JTQLQIEISA-N 0 3 300.742 2.082 20 5 DEBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CCO[C@@]3(CCOC3)C2)c(F)c1 ZINC000350312116 404363776 /nfs/dbraw/zinc/36/37/76/404363776.db2.gz NADKNCDGEOPMFX-DOMZBBRYSA-N 0 3 310.325 2.162 20 5 DEBDHN CN(C)CCOC1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000342112689 404376445 /nfs/dbraw/zinc/37/64/45/404376445.db2.gz OOPGWUWTYQRCFP-UHFFFAOYSA-N 0 3 311.357 2.281 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000296938055 404380365 /nfs/dbraw/zinc/38/03/65/404380365.db2.gz QMNZAUZYXIBHBH-INIZCTEOSA-N 0 3 318.377 2.463 20 5 DEBDHN CC(=O)N1CC[C@H](NC/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000345044850 404515425 /nfs/dbraw/zinc/51/54/25/404515425.db2.gz RPEDBVJJKIECCI-JQVXPOPVSA-N 0 3 303.362 2.209 20 5 DEBDHN COc1cc(C[NH2+]C[C@H]2CCC[C@H](CO)C2)c([N+](=O)[O-])cc1[O-] ZINC000342246326 404465029 /nfs/dbraw/zinc/46/50/29/404465029.db2.gz MEDQQHVHVHFOPG-RYUDHWBXSA-N 0 3 324.377 2.197 20 5 DEBDHN C[C@H]1CSC[C@H]1NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000352816571 404643832 /nfs/dbraw/zinc/64/38/32/404643832.db2.gz OUJQOCAWECOQEC-TVQRCGJNSA-N 0 3 310.375 2.302 20 5 DEBDHN O=C1C[C@@H](CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CN1 ZINC000414490889 404653820 /nfs/dbraw/zinc/65/38/20/404653820.db2.gz YJCUBEUUJDDPDF-NSHDSACASA-N 0 3 315.329 2.081 20 5 DEBDHN CC(C)(C)[C@H]1NC(=O)CC[C@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000353113873 404746394 /nfs/dbraw/zinc/74/63/94/404746394.db2.gz ASXKBNZCDCCZEW-HIFRSBDPSA-N 0 3 305.378 2.378 20 5 DEBDHN CCO[C@@H]1COCC[C@H]1NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000353153051 404756203 /nfs/dbraw/zinc/75/62/03/404756203.db2.gz PZQGHQCBVMLWPM-WQELODFKSA-N 0 3 306.362 2.392 20 5 DEBDHN C[C@@H]1[C@@H](Nc2ncc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000377335152 404836666 /nfs/dbraw/zinc/83/66/66/404836666.db2.gz FVOXKZCAPARPGS-DOMZBBRYSA-N 0 3 313.361 2.460 20 5 DEBDHN CCn1c(C)nc([N+](=O)[O-])c1N(CCN(C)C)C1CCCC1 ZINC000360065763 404814437 /nfs/dbraw/zinc/81/44/37/404814437.db2.gz KXDOPRJFJVFVRC-UHFFFAOYSA-N 0 3 309.414 2.430 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000415649359 404905569 /nfs/dbraw/zinc/90/55/69/404905569.db2.gz DHZZYWJFEVWEJQ-GHMZBOCLSA-N 0 3 322.365 2.208 20 5 DEBDHN C[C@H](CN(C)C)NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000353503826 404850152 /nfs/dbraw/zinc/85/01/52/404850152.db2.gz ACAATSXMNFIUNP-CYBMUJFWSA-N 0 3 322.409 2.167 20 5 DEBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@H](N2CCCC2)C1 ZINC000360950137 404859757 /nfs/dbraw/zinc/85/97/57/404859757.db2.gz YEEMOBNBNMQPPT-ZDUSSCGKSA-N 0 3 307.398 2.184 20 5 DEBDHN Cc1ccc([C@@H](C)NC(=O)N[C@H](C)CN(C)C)cc1[N+](=O)[O-] ZINC000354138299 405063798 /nfs/dbraw/zinc/06/37/98/405063798.db2.gz PUBOTLXIGAGUMB-VXGBXAGGSA-N 0 3 308.382 2.214 20 5 DEBDHN O=C(c1csc([N+](=O)[O-])c1)N1CC[C@H](N2CCCCC2)C1 ZINC000408100946 405112229 /nfs/dbraw/zinc/11/22/29/405112229.db2.gz XDWYYJCUVCBAGX-LBPRGKRZSA-N 0 3 309.391 2.357 20 5 DEBDHN CCN1CCCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000367715185 405132237 /nfs/dbraw/zinc/13/22/37/405132237.db2.gz HXCMYXXBORGILU-UHFFFAOYSA-N 0 3 307.379 2.132 20 5 DEBDHN CO[C@@H]1C[C@H](N[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC000439523547 405283897 /nfs/dbraw/zinc/28/38/97/405283897.db2.gz YGIFEYKNEDJLKS-DDTOSNHZSA-N 0 3 321.377 2.325 20 5 DEBDHN CO[C@H](CN1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1CC1 ZINC000425412133 405286411 /nfs/dbraw/zinc/28/64/11/405286411.db2.gz ZJIOTQFJRRQTLG-MRXNPFEDSA-N 0 3 305.378 2.142 20 5 DEBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCOCC3CCC3)C2)nc1 ZINC000419227427 405230320 /nfs/dbraw/zinc/23/03/20/405230320.db2.gz SNPCMDUTCNZMMW-CQSZACIVSA-N 0 3 320.393 2.293 20 5 DEBDHN CCO[C@@H]1C[C@@H](NCc2c([N+](=O)[O-])ncn2C)C1(CC)CC ZINC000429345803 405427152 /nfs/dbraw/zinc/42/71/52/405427152.db2.gz RBGWXZMAQNKNQY-CHWSQXEVSA-N 0 3 310.398 2.402 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)C1CCN(C)CC1 ZINC000421424775 405500469 /nfs/dbraw/zinc/50/04/69/405500469.db2.gz HIYMJTDIXUXKTO-UHFFFAOYSA-N 0 3 305.378 2.378 20 5 DEBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNCCC2(CO)CC2)c1 ZINC000449580142 405624824 /nfs/dbraw/zinc/62/48/24/405624824.db2.gz NHSLZDKSUFQRKJ-UHFFFAOYSA-N 0 3 316.304 2.448 20 5 DEBDHN CN1CCC[C@@H]1CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000431774521 405673058 /nfs/dbraw/zinc/67/30/58/405673058.db2.gz YWYIMIQPKGYMKY-CQSZACIVSA-N 0 3 320.393 2.223 20 5 DEBDHN CC(C)N1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000457106170 405701340 /nfs/dbraw/zinc/70/13/40/405701340.db2.gz CZRVNYHBVKXODP-LBPRGKRZSA-N 0 3 309.341 2.289 20 5 DEBDHN Cc1ccc(C(=O)N(C)[C@@H]2CCN(C(C)C)C2)cc1[N+](=O)[O-] ZINC000457093016 405695829 /nfs/dbraw/zinc/69/58/29/405695829.db2.gz XYVBKULSTMLBJC-CQSZACIVSA-N 0 3 305.378 2.458 20 5 DEBDHN CCCCN(C)CCNC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000431995427 405708188 /nfs/dbraw/zinc/70/81/88/405708188.db2.gz ZIZQEUSJCWWMBV-UHFFFAOYSA-N 0 3 323.393 2.130 20 5 DEBDHN CN(C)CC(C)(C)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000457227470 405761102 /nfs/dbraw/zinc/76/11/02/405761102.db2.gz WHROVCUFYGLAQJ-UHFFFAOYSA-N 0 3 304.350 2.146 20 5 DEBDHN CCN1CCC(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000568829282 292369474 /nfs/dbraw/zinc/36/94/74/292369474.db2.gz WWXORYPEZOZNJP-LBPRGKRZSA-N 0 3 305.378 2.299 20 5 DEBDHN CC(C)N1CC[C@@H](N(C)c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000450950130 405998597 /nfs/dbraw/zinc/99/85/97/405998597.db2.gz LWTOYVSTVAPODR-SNVBAGLBSA-N 0 3 309.395 2.223 20 5 DEBDHN O=[N+]([O-])c1ccn(CCNC2(c3ccccc3)CCOCC2)n1 ZINC000533518878 406149953 /nfs/dbraw/zinc/14/99/53/406149953.db2.gz ZTHDOKKFFKFXII-UHFFFAOYSA-N 0 3 316.361 2.087 20 5 DEBDHN CN1CCC[C@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000524254727 406443849 /nfs/dbraw/zinc/44/38/49/406443849.db2.gz NSGYUKMLVMCLOC-CYBMUJFWSA-N 0 3 319.405 2.330 20 5 DEBDHN CN(CCCN1CCCC1=O)CCc1cccc([N+](=O)[O-])c1 ZINC000548933592 406568635 /nfs/dbraw/zinc/56/86/35/406568635.db2.gz HGTGXWQGDLEIMJ-UHFFFAOYSA-N 0 3 305.378 2.082 20 5 DEBDHN O=C1CCCN1CCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000570851915 292511127 /nfs/dbraw/zinc/51/11/27/292511127.db2.gz PSEKCQRXYMCJDV-OAHLLOKOSA-N 0 3 303.362 2.184 20 5 DEBDHN CCn1nncc1CNCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417982522 229171795 /nfs/dbraw/zinc/17/17/95/229171795.db2.gz KXOYQYFSNDKLAU-UHFFFAOYSA-N 0 3 309.757 2.192 20 5 DEBDHN CN(C)C1(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000418119758 229230175 /nfs/dbraw/zinc/23/01/75/229230175.db2.gz YEEYIUBXBJRPQG-UHFFFAOYSA-N 0 3 315.320 2.380 20 5 DEBDHN O=[N+]([O-])c1ccc(OCCNCc2cccc3c2OCO3)cc1 ZINC000390326267 269097033 /nfs/dbraw/zinc/09/70/33/269097033.db2.gz BQZMASUZLITIEZ-UHFFFAOYSA-N 0 3 316.313 2.492 20 5 DEBDHN C[C@H](N[C@@H]1CSC[C@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000507271882 269316181 /nfs/dbraw/zinc/31/61/81/269316181.db2.gz IXPXBRXKBSQWCA-GBIKHYSHSA-N 0 3 309.391 2.263 20 5 DEBDHN CNc1ccc(C(=O)N(C)C[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000523741594 269469804 /nfs/dbraw/zinc/46/98/04/269469804.db2.gz SXRAGMJWSSRXIK-GFCCVEGCSA-N 0 3 320.393 2.050 20 5 DEBDHN CC(C)(CNCc1ccc([N+](=O)[O-])cc1)C1(O)CCOCC1 ZINC000418142182 275549010 /nfs/dbraw/zinc/54/90/10/275549010.db2.gz ZCLDDTWQPWWHQV-UHFFFAOYSA-N 0 3 308.378 2.252 20 5 DEBDHN CCN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C[C@H](C)O ZINC000348709770 276143323 /nfs/dbraw/zinc/14/33/23/276143323.db2.gz NGCSZKUBOVNEQO-LBPRGKRZSA-N 0 3 318.377 2.198 20 5 DEBDHN CCN1CCC[C@@H]1CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000149110912 276173764 /nfs/dbraw/zinc/17/37/64/276173764.db2.gz QZYQAPCUJQTVKB-SNVBAGLBSA-N 0 3 311.769 2.462 20 5 DEBDHN CCN1C[C@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000453375618 276253627 /nfs/dbraw/zinc/25/36/27/276253627.db2.gz XIPAUCOIBVTQCT-DOMZBBRYSA-N 0 3 303.362 2.183 20 5 DEBDHN COC[C@@H](CCO)N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279200970 277564146 /nfs/dbraw/zinc/56/41/46/277564146.db2.gz XHQNTOFHAKTSEA-ABAIWWIYSA-N 0 3 308.378 2.304 20 5 DEBDHN C[C@@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000183589153 278278447 /nfs/dbraw/zinc/27/84/47/278278447.db2.gz ASZLVCNYUQLSQB-NEPJUHHUSA-N 0 3 321.381 2.232 20 5 DEBDHN C[C@H](N[C@H]1CCC(=O)N[C@@H]1C1CC1)c1ccccc1[N+](=O)[O-] ZINC000340618427 278280366 /nfs/dbraw/zinc/28/03/66/278280366.db2.gz GIMUSQLEZIPMLF-YNZJMPHRSA-N 0 3 303.362 2.303 20 5 DEBDHN CCCN(CCN1CCCCC1)Cc1c([N+](=O)[O-])ncn1C ZINC000353151690 278788268 /nfs/dbraw/zinc/78/82/68/278788268.db2.gz GQJISVLVJBMXRX-UHFFFAOYSA-N 0 3 309.414 2.026 20 5 DEBDHN C[S@](=O)C1(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000282436496 280179668 /nfs/dbraw/zinc/17/96/68/280179668.db2.gz UEYFLCUKEYPQSS-QKKBWIMNSA-N 0 3 308.403 2.473 20 5 DEBDHN CN(C)CCN(Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000349037186 289147296 /nfs/dbraw/zinc/14/72/96/289147296.db2.gz ROVHETPXVJZVQN-INIZCTEOSA-N 0 3 307.394 2.137 20 5 DEBDHN CN(C)CCN(Cc1csc([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000349059415 289151179 /nfs/dbraw/zinc/15/11/79/289151179.db2.gz BKEVHYKPRFJKFU-ZDUSSCGKSA-N 0 3 313.423 2.199 20 5 DEBDHN Cc1ccnc(N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000488716018 302272354 /nfs/dbraw/zinc/27/23/54/302272354.db2.gz QICLWMJCLKPDAA-MRVWCRGKSA-N 0 3 304.394 2.465 20 5 DEBDHN O=C1C[C@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])[C@H]2CCCCN12 ZINC000574171926 326130145 /nfs/dbraw/zinc/13/01/45/326130145.db2.gz PJAREVJJZJOCJR-IJEWVQPXSA-N 0 3 315.373 2.325 20 5 DEBDHN CC[C@@H]1CN(CCN[C@@H]2CCc3c2cccc3[N+](=O)[O-])CCO1 ZINC000576291571 326283538 /nfs/dbraw/zinc/28/35/38/326283538.db2.gz LSVJDPBDIUCZMM-CZUORRHYSA-N 0 3 319.405 2.283 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCN1CCOC[C@@H]1C ZINC000576619723 326306727 /nfs/dbraw/zinc/30/67/27/326306727.db2.gz NSVNUCGTOLIOSQ-KBPBESRZSA-N 0 3 307.394 2.275 20 5 DEBDHN C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)CCN(C2CCC2)C1 ZINC000583368710 332363295 /nfs/dbraw/zinc/36/32/95/332363295.db2.gz LVJGDNWELOQYSH-NSHDSACASA-N 0 3 308.357 2.440 20 5 DEBDHN COC[C@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])[C@@H]1CCCO1 ZINC000580345571 335123199 /nfs/dbraw/zinc/12/31/99/335123199.db2.gz LWAMYVNKHNMLDC-YCPHGPKFSA-N 0 3 306.362 2.366 20 5 DEBDHN CN(CCn1cc([N+](=O)[O-])cc(F)c1=O)Cc1ccccc1 ZINC000583322151 337315607 /nfs/dbraw/zinc/31/56/07/337315607.db2.gz VILPEJFRJMXYJH-UHFFFAOYSA-N 0 3 305.309 2.028 20 5 DEBDHN CCOC(=O)[C@H](C)[C@H](C)NCc1ccc([N+](=O)[O-])cc1OC ZINC000338295833 521227247 /nfs/dbraw/zinc/22/72/47/521227247.db2.gz HYONLEIHMMAMQL-MNOVXSKESA-N 0 3 310.350 2.281 20 5 DEBDHN O=C(CN[C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])NC1CC1 ZINC000297466530 534595012 /nfs/dbraw/zinc/59/50/12/534595012.db2.gz QSQRADFISIUFBO-IUODEOHRSA-N 0 3 317.389 2.174 20 5 DEBDHN CN1CCC(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000156874336 523748203 /nfs/dbraw/zinc/74/82/03/523748203.db2.gz IAZXLODKUVWOJF-UHFFFAOYSA-N 0 3 317.389 2.428 20 5 DEBDHN C[C@@H]1C[C@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2F)CCN1C ZINC000156321010 525414993 /nfs/dbraw/zinc/41/49/93/525414993.db2.gz WOPSVFUQXVBPLO-DGCLKSJQSA-N 0 3 323.368 2.218 20 5 DEBDHN O=C(N[C@@H]1CCN(C2CCCC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000106791173 526919592 /nfs/dbraw/zinc/91/95/92/526919592.db2.gz JSBMTOYHBPQYMW-LLVKDONJSA-N 0 3 321.352 2.481 20 5 DEBDHN CC(=O)c1cc(N2CC[C@@]3(CCN(C)C3)C2)ccc1[N+](=O)[O-] ZINC000292429679 527211052 /nfs/dbraw/zinc/21/10/52/527211052.db2.gz XCGMVRNGBRNJAY-MRXNPFEDSA-N 0 3 303.362 2.329 20 5 DEBDHN O=[N+]([O-])c1ccc(OCCN[C@H](CO)c2ccccc2)cc1 ZINC000170846658 527372569 /nfs/dbraw/zinc/37/25/69/527372569.db2.gz GLNYFIXKKOXBLQ-MRXNPFEDSA-N 0 3 302.330 2.297 20 5 DEBDHN O=C(N1CCc2ccc([N+](=O)[O-])cc21)C12CCCN1CCC2 ZINC000365986702 527447549 /nfs/dbraw/zinc/44/75/49/527447549.db2.gz GKYBAZSMDDASCS-UHFFFAOYSA-N 0 3 301.346 2.112 20 5 DEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@@H]1CCCC(=O)N1 ZINC000433172992 527501637 /nfs/dbraw/zinc/50/16/37/527501637.db2.gz HBZDLTRXTYLMFX-UNJUUPHPSA-N 0 3 303.362 2.256 20 5 DEBDHN CC(C)[C@@H]1CN(C)CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000331015808 528742935 /nfs/dbraw/zinc/74/29/35/528742935.db2.gz YEHMVJIWQKUIKV-HNNXBMFYSA-N 0 3 307.394 2.246 20 5 DEBDHN CCN1CCC[C@@H]1CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000297421841 529078458 /nfs/dbraw/zinc/07/84/58/529078458.db2.gz YKUCRWQOFVKZSG-SWLSCSKDSA-N 0 3 320.393 2.439 20 5 DEBDHN CN1C[C@@H]2CCCN(C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000493140057 536487362 /nfs/dbraw/zinc/48/73/62/536487362.db2.gz LTICJZWBVPAAOQ-ZJIBPLLGSA-N 0 3 315.373 2.161 20 5 DEBDHN CN1C[C@@H]2CCCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000493140056 536487382 /nfs/dbraw/zinc/48/73/82/536487382.db2.gz LTICJZWBVPAAOQ-BILQUBDUSA-N 0 3 315.373 2.161 20 5 DEBDHN COc1cc(N2CCC(OCCN(C)C)CC2)ccc1[N+](=O)[O-] ZINC000356227771 536824510 /nfs/dbraw/zinc/82/45/10/536824510.db2.gz RMUFTLLVSOBWET-UHFFFAOYSA-N 0 3 323.393 2.150 20 5 DEBDHN COc1c([O-])ccc(C[NH2+]CCCc2nccs2)c1[N+](=O)[O-] ZINC000893353106 625619568 /nfs/dbraw/zinc/61/95/68/625619568.db2.gz LDLOFVKRDDUNDF-UHFFFAOYSA-N 0 3 323.374 2.488 20 5 DEBDHN COc1c([O-])ccc(CN2CCC([NH2+]C(C)C)CC2)c1[N+](=O)[O-] ZINC000891876153 624639915 /nfs/dbraw/zinc/63/99/15/624639915.db2.gz LDCMAGQMSWTGKX-UHFFFAOYSA-N 0 3 323.393 2.271 20 5 DEBDHN O=[N+]([O-])c1ccc(Cl)cc1CNCCCN1CCOCC1 ZINC000084439683 624753346 /nfs/dbraw/zinc/75/33/46/624753346.db2.gz UXNGQDJFSILXOU-UHFFFAOYSA-N 0 3 313.785 2.060 20 5 DEBDHN Cc1cc(F)cc(C(=O)N2CC[C@@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000176802150 625243953 /nfs/dbraw/zinc/24/39/53/625243953.db2.gz SKWCHRSXGIOXIH-CYBMUJFWSA-N 0 3 321.352 2.353 20 5 DEBDHN COc1c([O-])ccc(C[NH2+]CCCOCC(C)C)c1[N+](=O)[O-] ZINC000892466852 625759761 /nfs/dbraw/zinc/75/97/61/625759761.db2.gz CAQLHWFKAKCUHW-UHFFFAOYSA-N 0 3 312.366 2.461 20 5 DEBDHN C[C@@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])N1CCCC1 ZINC000112827128 633699707 /nfs/dbraw/zinc/69/97/07/633699707.db2.gz PHIWRSGZRXIMMO-JTQLQIEISA-N 0 3 311.769 2.462 20 5 DEBDHN COc1c(O)ccc(CN2CCN(C)C[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000893459652 633751149 /nfs/dbraw/zinc/75/11/49/633751149.db2.gz AWDQXIXXXQKEPI-ZDUSSCGKSA-N 0 3 323.393 2.081 20 5 DEBDHN CCC(=O)N1CCC(CNCc2csc([N+](=O)[O-])c2)CC1 ZINC000997446795 633765026 /nfs/dbraw/zinc/76/50/26/633765026.db2.gz ZJETZLFXHWHYCB-UHFFFAOYSA-N 0 3 311.407 2.395 20 5 DEBDHN C[C@@H](NC(=O)N(C)[C@H]1CCCN(C)C1)c1ccccc1[N+](=O)[O-] ZINC000894016468 636093171 /nfs/dbraw/zinc/09/31/71/636093171.db2.gz SMSKQWMFQAGRLE-OLZOCXBDSA-N 0 3 320.393 2.391 20 5 DEBDHN CCn1cc([N+](=O)[O-])c(C(=O)OC[C@@H]2CCCCN2C(C)C)n1 ZINC000837666653 650243242 /nfs/dbraw/zinc/24/32/42/650243242.db2.gz VDNUCXSBHWZLOF-LBPRGKRZSA-N 0 3 324.381 2.231 20 5 DEBDHN CCN1CCC[C@H](NC/C=C\c2ccccc2[N+](=O)[O-])C1=O ZINC000922640371 636295849 /nfs/dbraw/zinc/29/58/49/636295849.db2.gz UMQQXZAIJXCXFQ-PODYEWJSSA-N 0 3 303.362 2.209 20 5 DEBDHN Cn1nnc2c1C[C@H](NCc1cc(Cl)ccc1[N+](=O)[O-])CC2 ZINC000922995523 636903997 /nfs/dbraw/zinc/90/39/97/636903997.db2.gz NBOCGLAYYZOSKQ-LLVKDONJSA-N 0 3 321.768 2.024 20 5 DEBDHN COc1c([O-])ccc(C[N@H+](C)C2CCC(CO)CC2)c1[N+](=O)[O-] ZINC000894493083 637071876 /nfs/dbraw/zinc/07/18/76/637071876.db2.gz RYPJNTMAGCQXFL-UHFFFAOYSA-N 0 3 324.377 2.292 20 5 DEBDHN COc1c([O-])ccc(C[N@@H+](C)C2CCC(CO)CC2)c1[N+](=O)[O-] ZINC000894493083 637071880 /nfs/dbraw/zinc/07/18/80/637071880.db2.gz RYPJNTMAGCQXFL-UHFFFAOYSA-N 0 3 324.377 2.292 20 5 DEBDHN CCc1ccc(C(=O)N2[C@@H]3CC[C@H]2CN(C)CC3)cc1[N+](=O)[O-] ZINC000923279107 637079238 /nfs/dbraw/zinc/07/92/38/637079238.db2.gz FCQSKUOYHABDMG-CABCVRRESA-N 0 3 317.389 2.466 20 5 DEBDHN C[C@H](C(=O)N[C@@H]1CCN(C)[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000928443052 637243895 /nfs/dbraw/zinc/24/38/95/637243895.db2.gz XMZUJJPQQAGACH-IMSIIYSGSA-N 0 3 309.341 2.046 20 5 DEBDHN COc1c(O)ccc(CN[C@@H]2CCCC[C@H]2OC)c1[N+](=O)[O-] ZINC000895150977 637673916 /nfs/dbraw/zinc/67/39/16/637673916.db2.gz DFURTDZPTNCRPN-DGCLKSJQSA-N 0 3 310.350 2.356 20 5 DEBDHN COc1c([O-])ccc(C[NH2+][C@@H]2CCCC[C@H]2OC)c1[N+](=O)[O-] ZINC000895150977 637673921 /nfs/dbraw/zinc/67/39/21/637673921.db2.gz DFURTDZPTNCRPN-DGCLKSJQSA-N 0 3 310.350 2.356 20 5 DEBDHN O=[N+]([O-])c1ccc(CN[C@H](CO)C[C@H]2CCCO2)cc1Cl ZINC000895747826 638175780 /nfs/dbraw/zinc/17/57/80/638175780.db2.gz INBNUBHCRGINRW-NWDGAFQWSA-N 0 3 314.769 2.268 20 5 DEBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000757542001 639846123 /nfs/dbraw/zinc/84/61/23/639846123.db2.gz JHWSNVCSXMNNDI-YGRLFVJLSA-N 0 3 320.418 2.364 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000929118907 640771329 /nfs/dbraw/zinc/77/13/29/640771329.db2.gz WGVPJZUBLOGDLP-FZMZJTMJSA-N 0 3 304.350 2.071 20 5 DEBDHN Cc1ccc(CN2CCC[C@@H](C3OCCO3)C2)cc1[N+](=O)[O-] ZINC000179368731 641613779 /nfs/dbraw/zinc/61/37/79/641613779.db2.gz KHHRDMIGYIYNCX-CQSZACIVSA-N 0 3 306.362 2.488 20 5 DEBDHN CCc1cc(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)[nH]n1 ZINC000774194712 641875195 /nfs/dbraw/zinc/87/51/95/641875195.db2.gz YXYCJUXPONSDTB-KBPBESRZSA-N 0 3 318.381 2.350 20 5 DEBDHN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1nc2cc(Cl)ccc2[nH]1 ZINC000842304791 650701979 /nfs/dbraw/zinc/70/19/79/650701979.db2.gz LTRQRLJBZDCIPU-FMTFEUNWSA-N 0 3 309.709 2.486 20 5 DEBDHN CCN1C[C@H](C)N(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000776597446 642191271 /nfs/dbraw/zinc/19/12/71/642191271.db2.gz MBWVOUDOUNSEAO-WWGRRREGSA-N 0 3 307.394 2.043 20 5 DEBDHN O=[N+]([O-])c1ccccc1-c1cc(CN2CCC[C@H]2CO)on1 ZINC000901394407 642647945 /nfs/dbraw/zinc/64/79/45/642647945.db2.gz GHPGTLBKHSYGPU-NSHDSACASA-N 0 3 303.318 2.207 20 5 DEBDHN COc1cc([C@H](C)NCCOC[C@H]2CCCO2)cc([N+](=O)[O-])c1 ZINC000903098757 643249027 /nfs/dbraw/zinc/24/90/27/643249027.db2.gz UDBYYVYLQHRYPJ-SWLSCSKDSA-N 0 3 324.377 2.450 20 5 DEBDHN COc1cc([C@H](C)NC[C@H](OC)[C@H]2CCOC2)cc([N+](=O)[O-])c1 ZINC000903196494 643282498 /nfs/dbraw/zinc/28/24/98/643282498.db2.gz PJXHLDSOHRAMOH-MKBNYLNASA-N 0 3 324.377 2.306 20 5 DEBDHN CC(C)(C)OC(=O)N1CCCCC[C@H]1CNCC[N+](=O)[O-] ZINC000905688840 643996191 /nfs/dbraw/zinc/99/61/91/643996191.db2.gz ILFCMCAGCUWNDG-LBPRGKRZSA-N 0 3 301.387 2.032 20 5 DEBDHN CCN1CCCN(C(=O)c2cccc(OC)c2[N+](=O)[O-])[C@H](C)C1 ZINC000910278724 645384286 /nfs/dbraw/zinc/38/42/86/645384286.db2.gz GRRKUEIKDGOLCO-GFCCVEGCSA-N 0 3 321.377 2.160 20 5 DEBDHN CCN1CCCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000910287620 645390807 /nfs/dbraw/zinc/39/08/07/645390807.db2.gz MRBIEWVKDYCWAH-ZDUSSCGKSA-N 0 3 305.378 2.460 20 5 DEBDHN CCN1CCCN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000910294911 645408034 /nfs/dbraw/zinc/40/80/34/645408034.db2.gz IQLQGESSOOESSJ-GFCCVEGCSA-N 0 3 321.377 2.160 20 5 DEBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000843823348 651036008 /nfs/dbraw/zinc/03/60/08/651036008.db2.gz WLCWXYMUIFHSNQ-NOZJJQNGSA-N 0 3 321.352 2.255 20 5 DEBDHN CSC[C@@](C)(O)CNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000230167308 646720829 /nfs/dbraw/zinc/72/08/29/646720829.db2.gz AHAQXNIFPZXMHB-LBPRGKRZSA-N 0 3 304.799 2.452 20 5 DEBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1-c1ccc(F)cc1 ZINC000813100196 646728145 /nfs/dbraw/zinc/72/81/45/646728145.db2.gz OZFJUKSZGLZSCQ-SECBINFHSA-N 0 3 307.281 2.142 20 5 DEBDHN CC(COC(=O)CCc1cc2ccccc2[nH]c1=O)[N+](=O)[O-] ZINC000813101729 646728976 /nfs/dbraw/zinc/72/89/76/646728976.db2.gz HWMPRAOEPHUGEF-SNVBAGLBSA-N 0 3 304.302 2.081 20 5 DEBDHN Cc1cn(-c2ccc(F)cc2)nc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813104896 646729747 /nfs/dbraw/zinc/72/97/47/646729747.db2.gz SPEIQUPWRYBSAE-JTQLQIEISA-N 0 3 307.281 2.142 20 5 DEBDHN CC(C)C(=O)N(C)Cc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813105954 646729892 /nfs/dbraw/zinc/72/98/92/646729892.db2.gz WJMWUHOIJZSAAR-LBPRGKRZSA-N 0 3 322.361 2.123 20 5 DEBDHN CC(COC(=O)c1csc(Nc2ccccn2)n1)[N+](=O)[O-] ZINC000813111859 646731446 /nfs/dbraw/zinc/73/14/46/646731446.db2.gz AWMJQWYOMLSORN-MRVPVSSYSA-N 0 3 308.319 2.104 20 5 DEBDHN CCOc1cccc2c1OCC(C(=O)OCC(C)[N+](=O)[O-])=C2 ZINC000813115103 646733227 /nfs/dbraw/zinc/73/32/27/646733227.db2.gz KPXLCAIVQHVFCC-JTQLQIEISA-N 0 3 307.302 2.070 20 5 DEBDHN Cc1c(CNCCNC(=O)c2ccco2)cccc1[N+](=O)[O-] ZINC000917135015 647974673 /nfs/dbraw/zinc/97/46/73/647974673.db2.gz NSIFXCFNZNULMP-UHFFFAOYSA-N 0 3 303.318 2.016 20 5 DEBDHN CO[C@H]1CC[C@H](N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000821354493 648041839 /nfs/dbraw/zinc/04/18/39/648041839.db2.gz GSJDJSOOKGNRLP-HOCLYGCPSA-N 0 3 305.378 2.284 20 5 DEBDHN Cc1ccc([C@H](C)NC(=O)N[C@@H]2CCN(C)[C@H]2C)cc1[N+](=O)[O-] ZINC000921336873 648292139 /nfs/dbraw/zinc/29/21/39/648292139.db2.gz YXXMVXWOPTZWSF-SGMGOOAPSA-N 0 3 320.393 2.356 20 5 DEBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CCCN1C ZINC000823134302 648359549 /nfs/dbraw/zinc/35/95/49/648359549.db2.gz YCEZKRZLKBGJPT-LBPRGKRZSA-N 0 3 323.418 2.483 20 5 DEBDHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000823222190 648377545 /nfs/dbraw/zinc/37/75/45/648377545.db2.gz GPTNLUASXNCVOC-CQSZACIVSA-N 0 3 319.405 2.341 20 5 DEBDHN CN(Cc1ccc([N+](=O)[O-])c(Cl)c1)C1(CO)CCOCC1 ZINC000827908259 649104154 /nfs/dbraw/zinc/10/41/54/649104154.db2.gz NEKYVASTSQODEM-UHFFFAOYSA-N 0 3 314.769 2.222 20 5 DEBDHN C[C@H]1CCCN1CCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000828833111 649229822 /nfs/dbraw/zinc/22/98/22/649229822.db2.gz CRYJYYWHZFEAEX-JTQLQIEISA-N 0 3 311.769 2.462 20 5 DEBDHN CC(C)[C@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCN1 ZINC000831593302 649613781 /nfs/dbraw/zinc/61/37/81/649613781.db2.gz KECCOQPHKAPNOZ-GFCCVEGCSA-N 0 3 311.769 2.318 20 5 DEBDHN CN1C[C@H]2CCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000832690127 649736122 /nfs/dbraw/zinc/73/61/22/649736122.db2.gz CKOSKAYCMMQKRB-MFKMUULPSA-N 0 3 309.753 2.024 20 5 DEBDHN O=[N+]([O-])c1ccc(Cc2noc([C@H]3CC[C@H](C4CC4)N3)n2)nc1 ZINC000844912965 651182486 /nfs/dbraw/zinc/18/24/86/651182486.db2.gz MIKAGXHUZKBWKG-CHWSQXEVSA-N 0 3 315.333 2.167 20 5 DEBDHN Cc1nc(COC(C)(C)C)oc1C(=O)OCC(C)[N+](=O)[O-] ZINC000845577560 651256399 /nfs/dbraw/zinc/25/63/99/651256399.db2.gz WLHPVENFSAOPNH-MRVPVSSYSA-N 0 3 300.311 2.120 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)O[C@@H](C)CN1CCCC1 ZINC000845663862 651267671 /nfs/dbraw/zinc/26/76/71/651267671.db2.gz NBBQXPTYPDRXTO-NSHDSACASA-N 0 3 308.334 2.245 20 5 DEBDHN CC([C@H](OC(=O)c1ccnn1C)c1ccccc1F)[N+](=O)[O-] ZINC000845873748 651291297 /nfs/dbraw/zinc/29/12/97/651291297.db2.gz FWFJMPDJIAHTON-ZANVPECISA-N 0 3 307.281 2.123 20 5 DEBDHN CC([C@H](OC(=O)C1=CCOCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845878256 651291602 /nfs/dbraw/zinc/29/16/02/651291602.db2.gz RZHODDFNQOPSMH-YGRLFVJLSA-N 0 3 309.293 2.422 20 5 DEBDHN O=[N+]([O-])c1ccc(Cl)c(CNCC[C@@]2(O)CCCOC2)c1 ZINC000846112126 651308416 /nfs/dbraw/zinc/30/84/16/651308416.db2.gz XFOMJSNKOSJTEQ-AWEZNQCLSA-N 0 3 314.769 2.269 20 5 DEBDHN Cc1ccc(CNCC[S@@](=O)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000850351126 651908389 /nfs/dbraw/zinc/90/83/89/651908389.db2.gz ZEJAMFPWVVYGII-OAQYLSRUSA-N 0 3 324.324 2.304 20 5 DEBDHN CC(COC(=O)[C@H](C(=O)OC(C)(C)C)C(C)(C)C)[N+](=O)[O-] ZINC000851036127 652049964 /nfs/dbraw/zinc/04/99/64/652049964.db2.gz FRXGRKSNJJIIFE-VHSXEESVSA-N 0 3 303.355 2.199 20 5 DEBDHN C[C@H](O)[C@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000853135393 652508323 /nfs/dbraw/zinc/50/83/23/652508323.db2.gz WOEPJKVFQSRZPA-VUCTXSBTSA-N 0 3 316.357 2.340 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CCN(C)[C@H]1C ZINC000928435572 693778300 /nfs/dbraw/zinc/77/83/00/693778300.db2.gz HLQPQZVLXWBEPU-STQMWFEESA-N 0 3 305.378 2.342 20 5 DEBDHN CN1C[C@H]2[C@@H](CCN2C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000929212753 693917864 /nfs/dbraw/zinc/91/78/64/693917864.db2.gz TZXGJQODDHCXDR-ZANVPECISA-N 0 3 324.768 2.416 20 5 DEBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(C)CC1 ZINC000929434890 693955455 /nfs/dbraw/zinc/95/54/55/693955455.db2.gz XMHKJIBBEQZXLS-UHFFFAOYSA-N 0 3 309.391 2.141 20 5 DEBDHN CO[C@H]1CN(C)[C@@](C)(COC(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000861338845 686046260 /nfs/dbraw/zinc/04/62/60/686046260.db2.gz GMTUUXDTZSHUEA-CZUORRHYSA-N 0 3 322.361 2.169 20 5 DEBDHN CN(CC[N+](=O)[O-])C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000929791766 694028601 /nfs/dbraw/zinc/02/86/01/694028601.db2.gz GPYVMZNAUBABJU-UHFFFAOYSA-N 0 3 301.387 2.031 20 5 DEBDHN CC(COC(=O)c1ccc(OCc2ccccc2)cn1)[N+](=O)[O-] ZINC000870377633 688552121 /nfs/dbraw/zinc/55/21/21/688552121.db2.gz RMHJXPDBOJRWNZ-LBPRGKRZSA-N 0 3 316.313 2.483 20 5 DEBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000871763340 688862796 /nfs/dbraw/zinc/86/27/96/688862796.db2.gz DOBQLEZNJNNGJH-KGLIPLIRSA-N 0 3 304.350 2.295 20 5 DEBDHN CO[C@@H]1COCC[C@@H]1CN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872074749 688922360 /nfs/dbraw/zinc/92/23/60/688922360.db2.gz HDLKUIPPKVEKTM-JTNHKYCSSA-N 0 3 312.341 2.436 20 5 DEBDHN CC1(C)[C@H]2[C@H](CCCN2CCOc2cccc([N+](=O)[O-])c2)[C@@H]1O ZINC000872256065 688965497 /nfs/dbraw/zinc/96/54/97/688965497.db2.gz LSNCWUJIPIJOCW-XHSDSOJGSA-N 0 3 320.389 2.455 20 5 DEBDHN Cc1c(CN[C@@H](CO)C[C@H](O)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000873123847 689163475 /nfs/dbraw/zinc/16/34/75/689163475.db2.gz MRXLWJCYYASZKQ-HIFRSBDPSA-N 0 3 310.394 2.151 20 5 DEBDHN Cc1cc(F)cc(C(=O)N2CC[C@@H]3[C@@H]2CCCN3C)c1[N+](=O)[O-] ZINC000874838965 689511570 /nfs/dbraw/zinc/51/15/70/689511570.db2.gz SLJSXMDTOYVQQO-KGLIPLIRSA-N 0 3 321.352 2.351 20 5 DEBDHN O=C1NCCC12CCN(C/C=C/c1ccccc1[N+](=O)[O-])CC2 ZINC000877783525 690226599 /nfs/dbraw/zinc/22/65/99/690226599.db2.gz YRHOUPKLGPIRBU-HWKANZROSA-N 0 3 315.373 2.210 20 5 DEBDHN COC(=O)C[C@@](C)(NCc1cc([N+](=O)[O-])ccc1OC)C1CC1 ZINC000879438548 690641321 /nfs/dbraw/zinc/64/13/21/690641321.db2.gz JIFAJIVJBUSTPD-MRXNPFEDSA-N 0 3 322.361 2.425 20 5 DEBDHN COC(=O)[C@@H]1CCCC[C@]1(C)NCc1cccnc1[N+](=O)[O-] ZINC000886087132 692000841 /nfs/dbraw/zinc/00/08/41/692000841.db2.gz QKDDQQYGDOPQRR-WFASDCNBSA-N 0 3 307.350 2.201 20 5 DEBDHN C[C@H](c1ccccc1)[C@@H](CO)NCc1cccnc1[N+](=O)[O-] ZINC000886136664 692009781 /nfs/dbraw/zinc/00/97/81/692009781.db2.gz TVVCPMUIENUPCJ-IUODEOHRSA-N 0 3 301.346 2.244 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H](CO)C[C@H]1CCCO1 ZINC000886671821 692155501 /nfs/dbraw/zinc/15/55/01/692155501.db2.gz DLOVDXWBCJZSJV-OUCADQQQSA-N 0 3 324.377 2.184 20 5 DEBDHN O=C(OCc1ccc([N+](=O)[O-])cc1)C1CCCN(C2CC2)C1=O ZINC000924067601 693087265 /nfs/dbraw/zinc/08/72/65/693087265.db2.gz WMXNHKCWEXDXSS-CQSZACIVSA-N 0 3 318.329 2.039 20 5 DEBDHN CCOc1ccc([C@@H](C)NCCO[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000927086548 693552136 /nfs/dbraw/zinc/55/21/36/693552136.db2.gz WNVSUJMCPRBIJH-OCCSQVGLSA-N 0 3 324.377 2.450 20 5 DEBDHN CCN1CCCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000932354825 694600597 /nfs/dbraw/zinc/60/05/97/694600597.db2.gz YMAQJSRLERPCTL-HZPDHXFCSA-N 0 3 317.389 2.253 20 5 DEBDHN COc1ccc(NC(=O)NC[C@@H]2CCCCN2C)c([N+](=O)[O-])c1 ZINC001345874693 1150922655 /nfs/dbraw/zinc/92/26/55/1150922655.db2.gz AFYGUWWKDRVEGO-NSHDSACASA-N 0 3 322.365 2.209 20 5 DEBDHN C[C@@H]1COC[C@@H]1NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000699859722 782971033 /nfs/dbraw/zinc/97/10/33/782971033.db2.gz CMXQVBPXEVEETO-KCJUWKMLSA-N 0 3 315.167 2.482 20 5 DEBDHN COc1ccc(C[C@H](C)N2CC[C@@H](O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001170329867 786911158 /nfs/dbraw/zinc/91/11/58/786911158.db2.gz WFMJPQLVFMNIOP-MQIPJXDCSA-N 0 3 308.378 2.237 20 5 DEBDHN COc1ccc(C[C@@H](C)N2CC[C@H](C(C)=O)C2)c([N+](=O)[O-])c1 ZINC001170355154 786917950 /nfs/dbraw/zinc/91/79/50/786917950.db2.gz VZZGNNBOTLWZMV-RISCZKNCSA-N 0 3 306.362 2.445 20 5 DEBDHN O=C(Cc1ccccc1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001130347546 787354396 /nfs/dbraw/zinc/35/43/96/787354396.db2.gz NGBSIMSIYUINJQ-UHFFFAOYSA-N 0 3 313.357 2.043 20 5 DEBDHN C[C@H](Nc1ccc2cc(F)cc([N+](=O)[O-])c2n1)[C@H]1CNCCO1 ZINC001170569781 787649386 /nfs/dbraw/zinc/64/93/86/787649386.db2.gz MFICUBPQTDNHGM-TVQRCGJNSA-N 0 3 320.324 2.071 20 5 DEBDHN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC001137492156 788371033 /nfs/dbraw/zinc/37/10/33/788371033.db2.gz MBTAQMJSCBHPDT-GHMZBOCLSA-N 0 3 321.352 2.397 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2C[C@@H]3COC[C@@H]3C2)c1F ZINC001173180489 793620423 /nfs/dbraw/zinc/62/04/23/793620423.db2.gz LDLOAFPKDMTKOH-UTUOFQBUSA-N 0 3 324.352 2.252 20 5 DEBDHN COCCN(C)[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173182479 793621504 /nfs/dbraw/zinc/62/15/04/793621504.db2.gz FYOWJSQMEOEZIH-SNVBAGLBSA-N 0 3 300.330 2.252 20 5 DEBDHN CCN1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2C)C(C)(C)C1 ZINC001178856801 795021061 /nfs/dbraw/zinc/02/10/61/795021061.db2.gz NIIWBZQBERSCJH-AWEZNQCLSA-N 0 3 305.378 2.363 20 5 DEBDHN Cc1ccc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)s1 ZINC001122716239 795797388 /nfs/dbraw/zinc/79/73/88/795797388.db2.gz ZEFFBHFLFFNMKN-UHFFFAOYSA-N 0 3 319.386 2.484 20 5 DEBDHN O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CCN3CC[C@@H]3C2)c1 ZINC001158430972 798406521 /nfs/dbraw/zinc/40/65/21/798406521.db2.gz MQCZOLASXXIRSQ-SECBINFHSA-N 0 3 319.752 2.086 20 5 DEBDHN C[N@@H+]1CCc2ncc(Nc3cc([O-])cc([N+](=O)[O-])c3)cc2C1 ZINC001199814660 798543859 /nfs/dbraw/zinc/54/38/59/798543859.db2.gz MONRJAOBPFAULA-UHFFFAOYSA-N 0 3 300.318 2.427 20 5 DEBDHN C[N@H+]1CCc2ncc(Nc3cc([O-])cc([N+](=O)[O-])c3)cc2C1 ZINC001199814660 798543860 /nfs/dbraw/zinc/54/38/60/798543860.db2.gz MONRJAOBPFAULA-UHFFFAOYSA-N 0 3 300.318 2.427 20 5 DEBDHN O=[N+]([O-])c1c2nsnc2ccc1N[C@H]1CN2CCC1CC2 ZINC001163394141 799330111 /nfs/dbraw/zinc/33/01/11/799330111.db2.gz DZUADMKZDWPSAQ-NSHDSACASA-N 0 3 305.363 2.106 20 5 DEBDHN COC(=O)c1cc([N+](=O)[O-])ccc1OC1CCN(C2CC2)CC1 ZINC001229056590 801216189 /nfs/dbraw/zinc/21/61/89/801216189.db2.gz QLQUSSJWPJXZEJ-UHFFFAOYSA-N 0 3 320.345 2.387 20 5 DEBDHN O=[N+]([O-])c1ccc2nc(OC3CC[NH+](C4CC4)CC3)[n-]c2c1 ZINC001227746454 803274367 /nfs/dbraw/zinc/27/43/67/803274367.db2.gz SNFCELJDDZXIQN-UHFFFAOYSA-N 0 3 302.334 2.477 20 5 DEBDHN O=[N+]([O-])c1ccc2[n-]c(OC3CC[NH+](C4CC4)CC3)nc2c1 ZINC001227746454 803274369 /nfs/dbraw/zinc/27/43/69/803274369.db2.gz SNFCELJDDZXIQN-UHFFFAOYSA-N 0 3 302.334 2.477 20 5 DEBDHN CCN(C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC001331300891 1149414605 /nfs/dbraw/zinc/41/46/05/1149414605.db2.gz BXBNNHVQVQMFSZ-NSHDSACASA-N 0 3 310.329 2.292 20 5 DEBDHN Cc1cc(NC(=O)N2CC[C@H](N3CC=CC3)C2)cc([N+](=O)[O-])c1 ZINC001345488361 1150892284 /nfs/dbraw/zinc/89/22/84/1150892284.db2.gz HONNFLDFJPHZAE-AWEZNQCLSA-N 0 3 316.361 2.381 20 5 DEBDHN Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H](C)N2CCCC[C@H]2C)n1 ZINC001526815975 1070353469 /nfs/dbraw/zinc/35/34/69/1070353469.db2.gz ZXAHSVFDQHIMGS-OLZOCXBDSA-N 0 3 320.393 2.291 20 5 DEBDHN Cc1c([C@H](C)NC[C@H](O)c2ccc([N+](=O)[O-])cc2)cnn1C ZINC001329135938 1148868181 /nfs/dbraw/zinc/86/81/81/1148868181.db2.gz VLXLOBHEDQRGMD-BONVTDFDSA-N 0 3 304.350 2.021 20 5 DEBDHN COc1ccc(NC(=O)NCCN2CCCCC2)c([N+](=O)[O-])c1 ZINC001517707506 1068977218 /nfs/dbraw/zinc/97/72/18/1068977218.db2.gz AMFLVAZVHRJCJF-UHFFFAOYSA-N 0 3 322.365 2.211 20 5 DEBDHN Cc1cc(NC(=O)N(C)[C@H]2CCCN(C)C2)cc([N+](=O)[O-])c1 ZINC001520384913 1069130089 /nfs/dbraw/zinc/13/00/89/1069130089.db2.gz WLLKUEHUZFDJEM-ZDUSSCGKSA-N 0 3 306.366 2.461 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN(C(C)C)C1 ZINC001556123030 1075019153 /nfs/dbraw/zinc/01/91/53/1075019153.db2.gz ZJPIBPXVAOBTJT-GFCCVEGCSA-N 0 3 321.377 2.206 20 5 DEBDHN CC[C@H]1CCC[N@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001590514038 1076645574 /nfs/dbraw/zinc/64/55/74/1076645574.db2.gz YQBSXAIJSJMVKN-NSHDSACASA-N 0 3 316.365 2.397 20 5 DEBDHN CC[C@H]1CCC[N@@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001590514038 1076645576 /nfs/dbraw/zinc/64/55/76/1076645576.db2.gz YQBSXAIJSJMVKN-NSHDSACASA-N 0 3 316.365 2.397 20 5 DEBDHN CC[C@H]1CCC[N@H+](Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001590514038 1076645577 /nfs/dbraw/zinc/64/55/77/1076645577.db2.gz YQBSXAIJSJMVKN-NSHDSACASA-N 0 3 316.365 2.397 20 5 DEBDHN CC[C@H]1CCC[N@@H+](Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001590514038 1076645579 /nfs/dbraw/zinc/64/55/79/1076645579.db2.gz YQBSXAIJSJMVKN-NSHDSACASA-N 0 3 316.365 2.397 20 5 DEBDHN C[C@@H]1CCC[N@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])[C@H]1C ZINC001609165906 1077782558 /nfs/dbraw/zinc/78/25/58/1077782558.db2.gz ABJFLEMGAHCMDQ-MNOVXSKESA-N 0 3 316.365 2.395 20 5 DEBDHN C[C@@H]1CCC[N@@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])[C@H]1C ZINC001609165906 1077782561 /nfs/dbraw/zinc/78/25/61/1077782561.db2.gz ABJFLEMGAHCMDQ-MNOVXSKESA-N 0 3 316.365 2.395 20 5 DEBDHN C[C@@H]1CCC[N@H+](Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])[C@H]1C ZINC001609165906 1077782564 /nfs/dbraw/zinc/78/25/64/1077782564.db2.gz ABJFLEMGAHCMDQ-MNOVXSKESA-N 0 3 316.365 2.395 20 5 DEBDHN C[C@@H]1CCC[N@@H+](Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])[C@H]1C ZINC001609165906 1077782567 /nfs/dbraw/zinc/78/25/67/1077782567.db2.gz ABJFLEMGAHCMDQ-MNOVXSKESA-N 0 3 316.365 2.395 20 5 DEBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1C[N@@H+]1CCC[C@H]1C1CC1 ZINC001609600029 1077881401 /nfs/dbraw/zinc/88/14/01/1077881401.db2.gz MUBVGWBAQGVUOV-ZDUSSCGKSA-N 0 3 314.349 2.149 20 5 DEBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1C[N@H+]1CCC[C@H]1C1CC1 ZINC001609600029 1077881403 /nfs/dbraw/zinc/88/14/03/1077881403.db2.gz MUBVGWBAQGVUOV-ZDUSSCGKSA-N 0 3 314.349 2.149 20 5 DEBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1C[N@@H+]1CCC[C@H]1C1CC1 ZINC001609600029 1077881406 /nfs/dbraw/zinc/88/14/06/1077881406.db2.gz MUBVGWBAQGVUOV-ZDUSSCGKSA-N 0 3 314.349 2.149 20 5 DEBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1C[N@H+]1CCC[C@H]1C1CC1 ZINC001609600029 1077881408 /nfs/dbraw/zinc/88/14/08/1077881408.db2.gz MUBVGWBAQGVUOV-ZDUSSCGKSA-N 0 3 314.349 2.149 20 5 DEBDHN O=C(Nc1cc([N+](=O)[O-])n[nH]1)C(C[C@H]1CCCO1)C(F)(F)F ZINC001651837282 1079835817 /nfs/dbraw/zinc/83/58/17/1079835817.db2.gz VCJHFZXSBPPRTP-RQJHMYQMSA-N 0 3 322.243 2.004 20 5 DEBDHN CN1C[C@@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C(C)(C)C1 ZINC001652488102 1079877879 /nfs/dbraw/zinc/87/78/79/1079877879.db2.gz ILYMIDHQJWQJJD-CQSZACIVSA-N 0 3 316.361 2.146 20 5 DEBDHN COc1c(O)ccc(CNCC[C@H](O)C2CCCC2)c1[N+](=O)[O-] ZINC001660534256 1080353795 /nfs/dbraw/zinc/35/37/95/1080353795.db2.gz OEKBAQNADCTUSD-ZDUSSCGKSA-N 0 3 324.377 2.340 20 5 DEBDHN CO[C@@H]1CCN(CCOc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC001234676402 1084196287 /nfs/dbraw/zinc/19/62/87/1084196287.db2.gz MMHZYTHRHLLLOJ-GFCCVEGCSA-N 0 3 317.345 2.243 20 5 DEBDHN C/C=C(\C)C(=O)N(CC)CCNCc1ccc([N+](=O)[O-])cc1 ZINC001273318073 1091025375 /nfs/dbraw/zinc/02/53/75/1091025375.db2.gz NDHPXOJEXVNUTE-YIXHJXPBSA-N 0 3 305.378 2.499 20 5 DEBDHN CC(C)c1ccc(C(=O)N2C[C@H]3CCN(C)[C@H]3C2)cc1[N+](=O)[O-] ZINC001273359841 1091089077 /nfs/dbraw/zinc/08/90/77/1091089077.db2.gz YHYQQAAQDDXGSK-CJNGLKHVSA-N 0 3 317.389 2.494 20 5 DEBDHN Cc1cncc([N+](=O)[O-])c1N[C@H]1CCN(Cc2ccccc2)C1 ZINC001324358233 1142061567 /nfs/dbraw/zinc/06/15/67/1142061567.db2.gz OSHZYSWGCKOTPH-HNNXBMFYSA-N 0 3 312.373 2.407 20 5 DEBDHN COC(=O)C[C@H]1CCN([C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254570106 1143252571 /nfs/dbraw/zinc/25/25/71/1143252571.db2.gz MXPIFKSJGOCJCG-CHWSQXEVSA-N 0 3 306.362 2.411 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](NCc1cn3ccccc3n1)C2 ZINC001254572342 1143258023 /nfs/dbraw/zinc/25/80/23/1143258023.db2.gz LFZRWEIZCPJDJK-AWEZNQCLSA-N 0 3 308.341 2.500 20 5 DEBDHN COC(=O)C[C@@H]1CCCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254605523 1143280754 /nfs/dbraw/zinc/28/07/54/1143280754.db2.gz AZKUPUMZDMYOPJ-BLLLJJGKSA-N 0 3 318.373 2.337 20 5 DEBDHN CN1C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC001303988401 1147341224 /nfs/dbraw/zinc/34/12/24/1147341224.db2.gz IHZWAGWBSABCEP-ZNMIVQPWSA-N 0 3 317.389 2.155 20 5 DEBDHN Cc1c([C@@H](C)NCC2(N3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000278484804 214184890 /nfs/dbraw/zinc/18/48/90/214184890.db2.gz OYESNVOALNJUCC-CQSZACIVSA-N 0 3 319.405 2.419 20 5 DEBDHN Cc1cc(NCC(C)(C)C(N)=O)c2cc([N+](=O)[O-])ccc2n1 ZINC000272809714 210210916 /nfs/dbraw/zinc/21/09/16/210210916.db2.gz GNTOPPXUGCUCEI-UHFFFAOYSA-N 0 3 302.334 2.375 20 5 DEBDHN CCc1nn(C)c(NC[C@H]2N(C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000447801570 529767702 /nfs/dbraw/zinc/76/77/02/529767702.db2.gz DDEWYCQHAIZAMM-GFCCVEGCSA-N 0 3 309.414 2.423 20 5 DEBDHN C[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000272794843 210197257 /nfs/dbraw/zinc/19/72/57/210197257.db2.gz UENORHOOVDEZIV-CYBMUJFWSA-N 0 3 317.389 2.294 20 5 DEBDHN CN(CCNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000292400934 529914057 /nfs/dbraw/zinc/91/40/57/529914057.db2.gz UWLUTYNRBCTTDR-UHFFFAOYSA-N 0 3 320.393 2.223 20 5 DEBDHN CCN1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000152524516 186081322 /nfs/dbraw/zinc/08/13/22/186081322.db2.gz SQLHBCIZYJAKPQ-NSHDSACASA-N 0 3 311.769 2.462 20 5 DEBDHN Cc1cc(C(=O)N2CC[C@H](N3CCCC3)C2)cc([N+](=O)[O-])c1 ZINC000171453053 186162307 /nfs/dbraw/zinc/16/23/07/186162307.db2.gz GUZQGAFPMXTNTP-AWEZNQCLSA-N 0 3 303.362 2.214 20 5 DEBDHN COc1ccc(OCCN2CCC[C@@](C)(O)CC2)c([N+](=O)[O-])c1 ZINC000280035125 215328079 /nfs/dbraw/zinc/32/80/79/215328079.db2.gz LGCALWUVQSZVFY-MRXNPFEDSA-N 0 3 324.377 2.219 20 5 DEBDHN CCN1CCCC[C@H]1CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173666020 198238280 /nfs/dbraw/zinc/23/82/80/198238280.db2.gz IAEKSJNVUWGNAB-HNNXBMFYSA-N 0 3 305.378 2.128 20 5 DEBDHN Cc1ccc(NC(=O)N2CC[C@@H](N3CC=CC3)C2)cc1[N+](=O)[O-] ZINC000174186902 198303958 /nfs/dbraw/zinc/30/39/58/198303958.db2.gz DQXFQNBXJRQVOJ-CQSZACIVSA-N 0 3 316.361 2.381 20 5 DEBDHN C[C@@H](C(=O)N(C)C1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000617687288 363223440 /nfs/dbraw/zinc/22/34/40/363223440.db2.gz HPPOPSXVIFOFFV-GFCCVEGCSA-N 0 3 305.378 2.251 20 5 DEBDHN CN1CCN(CCCNc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000034273179 354161114 /nfs/dbraw/zinc/16/11/14/354161114.db2.gz PMBBFPVJOABBNW-UHFFFAOYSA-N 0 3 312.801 2.298 20 5 DEBDHN C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1)N1CCC(C)CC1 ZINC000060156720 354608408 /nfs/dbraw/zinc/60/84/08/354608408.db2.gz GKQLSCUMLNQXMY-ZDUSSCGKSA-N 0 3 305.378 2.445 20 5 DEBDHN Cc1c(C(=O)N2CCCC[C@@H]2CN(C)C)cccc1[N+](=O)[O-] ZINC000066948302 354741650 /nfs/dbraw/zinc/74/16/50/354741650.db2.gz DMTMJBMKJRLFMM-CYBMUJFWSA-N 0 3 305.378 2.460 20 5 DEBDHN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC[C@H]1CN1CCCCC1 ZINC000075506195 355089340 /nfs/dbraw/zinc/08/93/40/355089340.db2.gz XAQSFOUNQJSHCF-LBPRGKRZSA-N 0 3 306.366 2.013 20 5 DEBDHN Cc1ccc([C@H](C)NC[C@H](O)C2CCOCC2)cc1[N+](=O)[O-] ZINC000090053903 355553623 /nfs/dbraw/zinc/55/36/23/355553623.db2.gz VNJFZVVTCDRWRB-LRDDRELGSA-N 0 3 308.378 2.341 20 5 DEBDHN CCc1nn(C)c(NC[C@H](C)N2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000094136098 355694647 /nfs/dbraw/zinc/69/46/47/355694647.db2.gz UOKPXAHTOLUSIM-RYUDHWBXSA-N 0 3 309.414 2.423 20 5 DEBDHN Cc1c(CC(=O)N[C@@H]2CCN(CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000121810456 355798289 /nfs/dbraw/zinc/79/82/89/355798289.db2.gz AMHDODKULBYWFW-OAHLLOKOSA-N 0 3 317.389 2.046 20 5 DEBDHN CC[C@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000182351241 356122943 /nfs/dbraw/zinc/12/29/43/356122943.db2.gz UYPKSCOYEQYKGO-TUKIKUTGSA-N 0 3 321.377 2.469 20 5 DEBDHN C[C@H](C(=O)NC[C@@H]1CCCN(C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185222885 356204181 /nfs/dbraw/zinc/20/41/81/356204181.db2.gz GXXALBKZTDUJSR-RYUDHWBXSA-N 0 3 323.368 2.295 20 5 DEBDHN CN1CC[C@H](c2nc(CCNc3ccccc3[N+](=O)[O-])no2)C1 ZINC000350059472 356502682 /nfs/dbraw/zinc/50/26/82/356502682.db2.gz XZXKQNGOYAXOFA-NSHDSACASA-N 0 3 317.349 2.052 20 5 DEBDHN CCn1cnnc1CCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000618571844 363530587 /nfs/dbraw/zinc/53/05/87/363530587.db2.gz BGWWQKMNFDTTNE-OAHLLOKOSA-N 0 3 315.377 2.416 20 5 DEBDHN CC[C@@H]1CN(CC)CCN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000590723768 357592331 /nfs/dbraw/zinc/59/23/31/357592331.db2.gz GXJCZYCUKLPPQE-GFCCVEGCSA-N 0 3 315.377 2.459 20 5 DEBDHN CC1(C)C[C@H](NC[C@@H]2CCCNC2=O)c2cc([N+](=O)[O-])ccc21 ZINC000591244721 357694426 /nfs/dbraw/zinc/69/44/26/357694426.db2.gz DKGGJFZWPJPUIP-NHYWBVRUSA-N 0 3 317.389 2.433 20 5 DEBDHN CC[C@@H](NCc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@H](O)C(C)C ZINC000591266020 357697078 /nfs/dbraw/zinc/69/70/78/357697078.db2.gz NBPFTRPZWMUYBV-MLGOLLRUSA-N 0 3 324.377 2.251 20 5 DEBDHN Cc1cc(CCNCCC(=O)Nc2ccccc2[N+](=O)[O-])on1 ZINC000591767433 357758689 /nfs/dbraw/zinc/75/86/89/357758689.db2.gz JKYHGOJYIVHMCG-UHFFFAOYSA-N 0 3 318.333 2.052 20 5 DEBDHN CC(C)N1CCCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593447277 358080566 /nfs/dbraw/zinc/08/05/66/358080566.db2.gz ADHGYYGZQWKYNQ-UHFFFAOYSA-N 0 3 323.368 2.219 20 5 DEBDHN Cc1c([C@@H](C)NCC[C@@]2(O)CCCOC2)cccc1[N+](=O)[O-] ZINC000593719413 358129606 /nfs/dbraw/zinc/12/96/06/358129606.db2.gz DAEHSSJEADIUNB-CJNGLKHVSA-N 0 3 308.378 2.485 20 5 DEBDHN C[C@@H](NC1CCN([C@H]2CCOC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000594516471 358288471 /nfs/dbraw/zinc/28/84/71/358288471.db2.gz ZVTSTEQQBRFUBI-HIFRSBDPSA-N 0 3 319.405 2.499 20 5 DEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2C[C@@H]3CCCC[C@@H]32)c1 ZINC000594713307 358323491 /nfs/dbraw/zinc/32/34/91/358323491.db2.gz CLUNKQLKNQWIIM-BJJXKVORSA-N 0 3 306.362 2.209 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC1(C(N)=O)CCCC1 ZINC000595011600 358377929 /nfs/dbraw/zinc/37/79/29/358377929.db2.gz ZRQZZFUHOFOTBO-NSHDSACASA-N 0 3 321.377 2.300 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC[C@]1(O)CCCOC1 ZINC000595044849 358383158 /nfs/dbraw/zinc/38/31/58/358383158.db2.gz GJZXUKOJZUFXOB-MLGOLLRUSA-N 0 3 324.377 2.186 20 5 DEBDHN C[C@@H](CO)[C@H]1CCCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000595678648 358519347 /nfs/dbraw/zinc/51/93/47/358519347.db2.gz SBKXTRMYVMSQGG-XJKSGUPXSA-N 0 3 308.378 2.457 20 5 DEBDHN CS[C@@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000595404215 358440715 /nfs/dbraw/zinc/44/07/15/358440715.db2.gz OVFFXCGJJLPMJI-UONOGXRCSA-N 0 3 313.398 2.211 20 5 DEBDHN O=C(NCc1ccccc1[N+](=O)[O-])c1cc2c(s1)CCNC2 ZINC000595920787 358581461 /nfs/dbraw/zinc/58/14/61/358581461.db2.gz WEBIYBQPJUGTLY-UHFFFAOYSA-N 0 3 317.370 2.232 20 5 DEBDHN CCN1CCN([C@@H](C)CNc2cc(C)sc2[N+](=O)[O-])CC1 ZINC000596079120 358605376 /nfs/dbraw/zinc/60/53/76/358605376.db2.gz ZMAZNNXVAHCNJR-NSHDSACASA-N 0 3 312.439 2.403 20 5 DEBDHN C[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000596241973 358650124 /nfs/dbraw/zinc/65/01/24/358650124.db2.gz ZNBRPAGMJSYYCE-LLVKDONJSA-N 0 3 306.366 2.006 20 5 DEBDHN C[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000596241973 358650127 /nfs/dbraw/zinc/65/01/27/358650127.db2.gz ZNBRPAGMJSYYCE-LLVKDONJSA-N 0 3 306.366 2.006 20 5 DEBDHN CC[C@H]1CN(C)CCCN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000597606146 358961542 /nfs/dbraw/zinc/96/15/42/358961542.db2.gz VFFWEXADBWVSTF-AWEZNQCLSA-N 0 3 323.368 2.219 20 5 DEBDHN CC1(CO)CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000186909281 200029638 /nfs/dbraw/zinc/02/96/38/200029638.db2.gz ZJIHIXYOMSDTBK-UHFFFAOYSA-N 0 3 321.377 2.018 20 5 DEBDHN C[C@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)N(C)C1CC1 ZINC000602545855 360426074 /nfs/dbraw/zinc/42/60/74/360426074.db2.gz XYMOHDKSSRZIFN-SNVBAGLBSA-N 0 3 304.350 2.308 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)C[C@@H]1CCCC(=O)N1 ZINC000602548303 360427157 /nfs/dbraw/zinc/42/71/57/360427157.db2.gz DTKCBJHTCSZKRV-AAEUAGOBSA-N 0 3 321.377 2.140 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCc2ccccc2CC1 ZINC000602776727 360548749 /nfs/dbraw/zinc/54/87/49/360548749.db2.gz AJSPTSWOEKDTIB-UHFFFAOYSA-N 0 3 300.362 2.201 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCN(C)C2(CCCCC2)C1 ZINC000602836660 360580645 /nfs/dbraw/zinc/58/06/45/360580645.db2.gz QFYOKWQUHWKXPI-UHFFFAOYSA-N 0 3 321.425 2.050 20 5 DEBDHN CO[C@H]1C[C@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1(C)C ZINC000610652073 361437772 /nfs/dbraw/zinc/43/77/72/361437772.db2.gz WYGCZMKBRWLKGB-GJZGRUSLSA-N 0 3 322.361 2.269 20 5 DEBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1C[C@@H]2CCC[C@@H]21 ZINC000610762481 361462074 /nfs/dbraw/zinc/46/20/74/361462074.db2.gz LHHNYNXQZPHQPR-AAEUAGOBSA-N 0 3 317.345 2.377 20 5 DEBDHN CC1(C)C[C@@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000611084724 361523847 /nfs/dbraw/zinc/52/38/47/361523847.db2.gz NWTUBVSPIOFWBJ-LBPRGKRZSA-N 0 3 322.361 2.413 20 5 DEBDHN Cc1ccc([C@H](C)N[C@@H](C)[C@H]2CN(C)CCO2)cc1[N+](=O)[O-] ZINC000611336977 361581546 /nfs/dbraw/zinc/58/15/46/361581546.db2.gz YCKQLXVMFGOLFV-HEHGZKQESA-N 0 3 307.394 2.273 20 5 DEBDHN C[C@@H]1[C@H](C)N(C)CCN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611714726 361666331 /nfs/dbraw/zinc/66/63/31/361666331.db2.gz YPLDSGBDYVSQHN-WDEREUQCSA-N 0 3 301.350 2.067 20 5 DEBDHN CC(C)[C@H]1CN(C)CCN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611707574 361662659 /nfs/dbraw/zinc/66/26/59/361662659.db2.gz OQCCXYFKMHOSQT-OAHLLOKOSA-N 0 3 315.377 2.314 20 5 DEBDHN C[C@@H](NC[C@@H]1CCCN1CCCO)c1cccc([N+](=O)[O-])c1 ZINC000453264070 245026140 /nfs/dbraw/zinc/02/61/40/245026140.db2.gz UPDDEVNGBXEHAH-CJNGLKHVSA-N 0 3 307.394 2.092 20 5 DEBDHN O=C(c1ccccc1[N+](=O)[O-])N1CC[C@H](N2CCCCC2)C1 ZINC000264602795 204022842 /nfs/dbraw/zinc/02/28/42/204022842.db2.gz NWBCLCINXBNOKM-ZDUSSCGKSA-N 0 3 303.362 2.295 20 5 DEBDHN CCC[C@@](C)(O)CNCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000264869452 204224950 /nfs/dbraw/zinc/22/49/50/204224950.db2.gz RGXBOKNLIDXGOR-OAHLLOKOSA-N 0 3 312.366 2.253 20 5 DEBDHN C[C@H](NC(=O)N[C@H]1CCN(C)[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000454639640 246012939 /nfs/dbraw/zinc/01/29/39/246012939.db2.gz IXSLTOGMKUFPJX-DYEKYZERSA-N 0 3 320.393 2.438 20 5 DEBDHN COc1ccc(NC(=O)NC(C)(C)CN(C)C)cc1[N+](=O)[O-] ZINC000455094079 246376716 /nfs/dbraw/zinc/37/67/16/246376716.db2.gz DEBFPBXWNSZCDC-UHFFFAOYSA-N 0 3 310.354 2.065 20 5 DEBDHN Cc1ccc([C@H](C)NC(=O)N2CCCN(C)CC2)cc1[N+](=O)[O-] ZINC000267945738 206353270 /nfs/dbraw/zinc/35/32/70/206353270.db2.gz BOIKRJPHWWWPJE-ZDUSSCGKSA-N 0 3 320.393 2.311 20 5 DEBDHN CN(C)CCN(Cc1ccco1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000267974196 206370094 /nfs/dbraw/zinc/37/00/94/206370094.db2.gz CVYZYBPECWEAPA-UHFFFAOYSA-N 0 3 323.374 2.453 20 5 DEBDHN CN(C)C/C=C\C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000492298958 249034657 /nfs/dbraw/zinc/03/46/57/249034657.db2.gz LQWSVKWLBZQVPS-ARJAWSKDSA-N 0 3 303.362 2.204 20 5 DEBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@@H]2[C@@H]2CCCO2)c1 ZINC000284781319 218175263 /nfs/dbraw/zinc/17/52/63/218175263.db2.gz NJXBPQWGVJWQQP-OAGGEKHMSA-N 0 3 306.362 2.272 20 5 DEBDHN CN1CC=C(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000271918779 209322144 /nfs/dbraw/zinc/32/21/44/209322144.db2.gz JVFQJOZYSWVECD-UHFFFAOYSA-N 0 3 309.753 2.240 20 5 DEBDHN COCCN1CC[C@@H](N[C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000268842936 207008444 /nfs/dbraw/zinc/00/84/44/207008444.db2.gz AXLBCRPEFYRKLA-ZIAGYGMSSA-N 0 3 307.394 2.275 20 5 DEBDHN CC(C)C[C@@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273421356 210758178 /nfs/dbraw/zinc/75/81/78/210758178.db2.gz JJPDVTYBPSWFAZ-GFCCVEGCSA-N 0 3 314.407 2.393 20 5 DEBDHN CCN1CCCC[C@@H]1CNC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000110995075 194378613 /nfs/dbraw/zinc/37/86/13/194378613.db2.gz HJZVONDYERCTNV-GFCCVEGCSA-N 0 3 321.377 2.208 20 5 DEBDHN O=[N+]([O-])c1ccccc1C[C@H](NC[C@H](O)C(F)(F)F)C1CC1 ZINC000268889717 207059452 /nfs/dbraw/zinc/05/94/52/207059452.db2.gz ZTKUVSWVFYINDD-AAEUAGOBSA-N 0 3 318.295 2.429 20 5 DEBDHN Cc1cc(C(=O)N2CCCC[C@H]2CN(C)C)cc([N+](=O)[O-])c1 ZINC000119930723 195065287 /nfs/dbraw/zinc/06/52/87/195065287.db2.gz FLQIWWOOINQCLR-AWEZNQCLSA-N 0 3 305.378 2.460 20 5 DEBDHN O=[N+]([O-])c1c(F)cccc1N1CCN(CC2CCOCC2)CC1 ZINC000265466002 285077182 /nfs/dbraw/zinc/07/71/82/285077182.db2.gz BNOGJIGLMCBCOU-UHFFFAOYSA-N 0 3 323.368 2.283 20 5 DEBDHN CC[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000272980119 210359319 /nfs/dbraw/zinc/35/93/19/210359319.db2.gz XXDBGALTRKRZFZ-CQSZACIVSA-N 0 3 314.407 2.393 20 5 DEBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000157066412 197159237 /nfs/dbraw/zinc/15/92/37/197159237.db2.gz ZSANCRJDKRDTHS-GDBMZVCRSA-N 0 3 317.389 2.080 20 5 DEBDHN COc1ccccc1[C@H](CO)NCCc1ccc([N+](=O)[O-])cc1 ZINC000541981856 285204151 /nfs/dbraw/zinc/20/41/51/285204151.db2.gz VUPWTIVDGNOOCO-INIZCTEOSA-N 0 3 316.357 2.469 20 5 DEBDHN COC[C@H](NCC(=O)Nc1c(C)cccc1[N+](=O)[O-])C(C)C ZINC000542525528 285231798 /nfs/dbraw/zinc/23/17/98/285231798.db2.gz KHUVUPPERYWLHR-LBPRGKRZSA-N 0 3 309.366 2.102 20 5 DEBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000120831758 195247007 /nfs/dbraw/zinc/24/70/07/195247007.db2.gz LDFDZYCQKMGWHQ-HOMMJUPQSA-N 0 3 317.389 2.407 20 5 DEBDHN Cc1nc(N2CCC[C@@H]2CN2CCCCC2)ncc1[N+](=O)[O-] ZINC000295032472 224392598 /nfs/dbraw/zinc/39/25/98/224392598.db2.gz NFOOZGMWIKZJSI-CYBMUJFWSA-N 0 3 305.382 2.148 20 5 DEBDHN COC[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000544413152 285348039 /nfs/dbraw/zinc/34/80/39/285348039.db2.gz VUTXFDYDYJWSAS-AWEZNQCLSA-N 0 3 309.366 2.102 20 5 DEBDHN CCO[C@@H]1C[C@H](N(C)CCn2ccc([N+](=O)[O-])n2)C12CCC2 ZINC000120952457 195270552 /nfs/dbraw/zinc/27/05/52/195270552.db2.gz LBYBLZVVBYOIMN-QWHCGFSZSA-N 0 3 308.382 2.071 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(N2C[C@@H](SC)[C@@H](N(C)C)C2)c1 ZINC000271625997 209070575 /nfs/dbraw/zinc/07/05/75/209070575.db2.gz MYQPWQJNXNGTLD-UONOGXRCSA-N 0 3 311.407 2.085 20 5 DEBDHN CCn1cc(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000353961341 133013415 /nfs/dbraw/zinc/01/34/15/133013415.db2.gz VUQGKNOGKRAKBF-KBPBESRZSA-N 0 3 318.381 2.281 20 5 DEBDHN C[C@H](N[C@@H](C)[C@@H]1CCCOC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000355355193 133020690 /nfs/dbraw/zinc/02/06/90/133020690.db2.gz SMYKFEPGRLMMQI-RWMBFGLXSA-N 0 3 321.377 2.327 20 5 DEBDHN C[C@@H](NC(=O)N1CCN(C)CC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000355425350 133025852 /nfs/dbraw/zinc/02/58/52/133025852.db2.gz SXYLXGXBMZHDMN-CHWSQXEVSA-N 0 3 320.393 2.391 20 5 DEBDHN COc1ccc(CN2CC[C@@H](c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000377890439 133349873 /nfs/dbraw/zinc/34/98/73/133349873.db2.gz VGZTXGZADLTHMQ-CYBMUJFWSA-N 0 3 316.361 2.326 20 5 DEBDHN Cc1ccc([C@H](C)NC[C@@H]2CN3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000321505608 145377096 /nfs/dbraw/zinc/37/70/96/145377096.db2.gz BGSRVDBMRWURSV-CWRNSKLLSA-N 0 3 319.405 2.417 20 5 DEBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCOC3CCC3)C2)nc1 ZINC000346993242 146175673 /nfs/dbraw/zinc/17/56/73/146175673.db2.gz ISDOZYWBCLXIML-GFCCVEGCSA-N 0 3 306.366 2.045 20 5 DEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CC[C@@H]2C2CC2)cc1 ZINC000348429194 146271277 /nfs/dbraw/zinc/27/12/77/146271277.db2.gz XYKBYIXSWYUQFE-CABCVRRESA-N 0 3 324.402 2.147 20 5 DEBDHN [NH3+]CCN(Cc1cc([O-])cc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000348924190 146329959 /nfs/dbraw/zinc/32/99/59/146329959.db2.gz VMVWQMZENHPZMN-UHFFFAOYSA-N 0 3 305.309 2.405 20 5 DEBDHN O=C1C[C@H](NC/C=C/c2ccccc2[N+](=O)[O-])[C@H]2CCCCN12 ZINC000374591992 148265826 /nfs/dbraw/zinc/26/58/26/148265826.db2.gz ILNKDVCBOJRCDN-ZCGHOXCVSA-N 0 3 315.373 2.351 20 5 DEBDHN CC(C)C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)N(C)C ZINC000114377492 401797343 /nfs/dbraw/zinc/79/73/43/401797343.db2.gz SYSDQEPUTPNFAA-GFCCVEGCSA-N 0 3 311.357 2.440 20 5 DEBDHN CC1(C)CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000112703053 401755331 /nfs/dbraw/zinc/75/53/31/401755331.db2.gz VGENMIYHLDZSJF-AWEZNQCLSA-N 0 3 308.378 2.457 20 5 DEBDHN C[C@H](C(=O)NCc1ccccc1[N+](=O)[O-])N1CCCCCC1 ZINC000114239732 401795067 /nfs/dbraw/zinc/79/50/67/401795067.db2.gz FQRXGGNOEHBVOV-CYBMUJFWSA-N 0 3 305.378 2.476 20 5 DEBDHN O=C(NCCN1CCCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000077493910 401817484 /nfs/dbraw/zinc/81/74/84/401817484.db2.gz YCYWGGWNULCTAV-UHFFFAOYSA-N 0 3 309.341 2.340 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)CN2CCCCC2)c1 ZINC000130125129 401819558 /nfs/dbraw/zinc/81/95/58/401819558.db2.gz WSOWNDQJZBFMCU-GFCCVEGCSA-N 0 3 321.377 2.208 20 5 DEBDHN CN1CCC[C@@H]1CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000130273947 401825331 /nfs/dbraw/zinc/82/53/31/401825331.db2.gz IHQPHAYGNGLCFL-SECBINFHSA-N 0 3 315.171 2.258 20 5 DEBDHN C[C@H]1CCCN(CCNC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000087116735 401927863 /nfs/dbraw/zinc/92/78/63/401927863.db2.gz OGSNRJBLCVPDDR-AWEZNQCLSA-N 0 3 319.405 2.376 20 5 DEBDHN COC[C@@H](O)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000117946169 401888651 /nfs/dbraw/zinc/88/86/51/401888651.db2.gz XIGZRFOFXIXXPB-ZDUSSCGKSA-N 0 3 322.386 2.420 20 5 DEBDHN O=[N+]([O-])c1cc(Br)cnc1NCCN1CCCC1 ZINC000054128544 402062928 /nfs/dbraw/zinc/06/29/28/402062928.db2.gz LEWKCRXAZAZHLY-UHFFFAOYSA-N 0 3 315.171 2.260 20 5 DEBDHN COc1ccc(CN(CCn2ccc([N+](=O)[O-])n2)C2CC2)cc1 ZINC000176197198 402289518 /nfs/dbraw/zinc/28/95/18/402289518.db2.gz JTGLKBQWKHPGRN-UHFFFAOYSA-N 0 3 316.361 2.465 20 5 DEBDHN Cc1cc(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000177088849 402368531 /nfs/dbraw/zinc/36/85/31/402368531.db2.gz RYNJDMVLAFIABM-YPMHNXCESA-N 0 3 303.362 2.258 20 5 DEBDHN Cc1c(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000177198858 402380586 /nfs/dbraw/zinc/38/05/86/402380586.db2.gz DWJXUEWIHPUHOY-PWSUYJOCSA-N 0 3 303.362 2.258 20 5 DEBDHN CCOC(=O)N1CC[C@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000186443018 402431259 /nfs/dbraw/zinc/43/12/59/402431259.db2.gz JTHSNFNUMKRPSL-AAEUAGOBSA-N 0 3 307.350 2.476 20 5 DEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000177806738 402437955 /nfs/dbraw/zinc/43/79/55/402437955.db2.gz KOJBLKKTIMLYNA-OLZOCXBDSA-N 0 3 321.352 2.433 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1CCCN(C)C1 ZINC000163198159 402444217 /nfs/dbraw/zinc/44/42/17/402444217.db2.gz BQDSAXHXWAMLNY-LBPRGKRZSA-N 0 3 306.366 2.367 20 5 DEBDHN Cc1c(C(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)cccc1[N+](=O)[O-] ZINC000164614430 402465683 /nfs/dbraw/zinc/46/56/83/402465683.db2.gz KASANQNTZZAJHL-CZUORRHYSA-N 0 3 317.389 2.460 20 5 DEBDHN CC(C)C[C@H](N)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000178540059 402509163 /nfs/dbraw/zinc/50/91/63/402509163.db2.gz VDDNPHXDPACXPJ-HNNXBMFYSA-N 0 3 307.394 2.407 20 5 DEBDHN C[C@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000170774588 402523386 /nfs/dbraw/zinc/52/33/86/402523386.db2.gz TUBWOKWFPIDIQP-LBPRGKRZSA-N 0 3 307.350 2.034 20 5 DEBDHN CCC[C@H](N)C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000182101638 402666918 /nfs/dbraw/zinc/66/69/18/402666918.db2.gz LQHZVIRGHKTLFQ-NSHDSACASA-N 0 3 303.322 2.051 20 5 DEBDHN C[C@@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000182391596 402686344 /nfs/dbraw/zinc/68/63/44/402686344.db2.gz RVSBZTJAVDAMBC-TZMCWYRMSA-N 0 3 317.345 2.080 20 5 DEBDHN CN(C[C@H]1CCCN(C)C1)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000255437870 402687762 /nfs/dbraw/zinc/68/77/62/402687762.db2.gz GKUYHFPSGLBBLG-CDNLZTBQSA-N 0 3 317.389 2.408 20 5 DEBDHN CN(C[C@H]1CCCN(C)C1)C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000255491954 402689007 /nfs/dbraw/zinc/68/90/07/402689007.db2.gz FIRCXFYAKXPAML-CMUBDUJZSA-N 0 3 317.389 2.408 20 5 DEBDHN CN(C(=O)C1CCN(C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000192778726 402749853 /nfs/dbraw/zinc/74/98/53/402749853.db2.gz PDQFIUGSGUHDRT-UHFFFAOYSA-N 0 3 303.362 2.432 20 5 DEBDHN COCCN(C)CCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000263776864 402802886 /nfs/dbraw/zinc/80/28/86/402802886.db2.gz LBFWOVOUCNUBNK-UHFFFAOYSA-N 0 3 304.350 2.133 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000278285179 402862652 /nfs/dbraw/zinc/86/26/52/402862652.db2.gz BNHWAAQVKBSFKK-LBPRGKRZSA-N 0 3 303.362 2.283 20 5 DEBDHN CCN1CCN([C@@H]2CCN(c3ccc([N+](=O)[O-])c(C)c3)C2)CC1 ZINC000264412289 402875954 /nfs/dbraw/zinc/87/59/54/402875954.db2.gz OWDDAJSLFSBYGD-MRXNPFEDSA-N 0 3 318.421 2.119 20 5 DEBDHN O=[N+]([O-])c1ccc(N2CCN(C[C@@H]3CCSC3)CC2)cc1 ZINC000279597608 402959774 /nfs/dbraw/zinc/95/97/74/402959774.db2.gz VYJRERBPFSQAHA-ZDUSSCGKSA-N 0 3 307.419 2.470 20 5 DEBDHN CC(C)(CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C(N)=O ZINC000279136462 402908048 /nfs/dbraw/zinc/90/80/48/402908048.db2.gz RNJLBGRSGHLBGR-ZDUSSCGKSA-N 0 3 305.378 2.418 20 5 DEBDHN COc1ccc(NC(=O)CN[C@@H]2CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000279313389 402929697 /nfs/dbraw/zinc/92/96/97/402929697.db2.gz ROVGVORIERYXHE-CMPLNLGQSA-N 0 3 307.350 2.320 20 5 DEBDHN COc1ccc(NC(=O)CN[C@@H]2CCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000279313395 402929830 /nfs/dbraw/zinc/92/98/30/402929830.db2.gz ROVGVORIERYXHE-ZYHUDNBSSA-N 0 3 307.350 2.320 20 5 DEBDHN C[C@H](N[C@@H]1CCC[C@@H]1CCO)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000279371719 402935817 /nfs/dbraw/zinc/93/58/17/402935817.db2.gz XCLYAXYKOVVDGB-YWPYICTPSA-N 0 3 321.377 2.063 20 5 DEBDHN COc1ccccc1[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000266953526 403002529 /nfs/dbraw/zinc/00/25/29/403002529.db2.gz VGKZQEOLWWZCMT-CYBMUJFWSA-N 0 3 316.361 2.289 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(NC[C@@]2(N(C)C)CCSC2)c1 ZINC000267111854 403016644 /nfs/dbraw/zinc/01/66/44/403016644.db2.gz RGIPFJQRGIHFPY-AWEZNQCLSA-N 0 3 311.407 2.453 20 5 DEBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000268143626 403054110 /nfs/dbraw/zinc/05/41/10/403054110.db2.gz DSJZPNIPQBSGPG-OHEJIBKASA-N 0 3 315.373 2.207 20 5 DEBDHN Cc1nc([C@H]2CCCN(Cc3cccc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000268518149 403090915 /nfs/dbraw/zinc/09/09/15/403090915.db2.gz WBWUMLWWXKKKOC-ZDUSSCGKSA-N 0 3 301.350 2.401 20 5 DEBDHN Cc1n[nH]c([C@H]2CCCN(Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000268518149 403090916 /nfs/dbraw/zinc/09/09/16/403090916.db2.gz WBWUMLWWXKKKOC-ZDUSSCGKSA-N 0 3 301.350 2.401 20 5 DEBDHN Cc1nnc([C@H]2CCCN(Cc3cccc([N+](=O)[O-])c3)C2)[nH]1 ZINC000268518149 403090919 /nfs/dbraw/zinc/09/09/19/403090919.db2.gz WBWUMLWWXKKKOC-ZDUSSCGKSA-N 0 3 301.350 2.401 20 5 DEBDHN Cc1cc(N2CCN(CC(C)(C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000275823823 403126188 /nfs/dbraw/zinc/12/61/88/403126188.db2.gz NIPRXBDKVJCWRO-ZDUSSCGKSA-N 0 3 307.394 2.185 20 5 DEBDHN COC(=O)CC1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000345337463 403291872 /nfs/dbraw/zinc/29/18/72/403291872.db2.gz WVIVYGQBJFSFSY-UHFFFAOYSA-N 0 3 306.362 2.412 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCCN(C(C)C)CC1 ZINC000277648179 403240958 /nfs/dbraw/zinc/24/09/58/403240958.db2.gz USSDHPNPDYDAGD-UHFFFAOYSA-N 0 3 321.377 2.160 20 5 DEBDHN CCN(CCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C1CC1 ZINC000342920559 403397105 /nfs/dbraw/zinc/39/71/05/403397105.db2.gz KLGQUSZHTCKRST-UHFFFAOYSA-N 0 3 316.361 2.290 20 5 DEBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000285873481 403400445 /nfs/dbraw/zinc/40/04/45/403400445.db2.gz QLRGGTGUSNETKR-SWLSCSKDSA-N 0 3 303.362 2.294 20 5 DEBDHN C[C@H]1CCC[C@@H]1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000331680485 403450765 /nfs/dbraw/zinc/45/07/65/403450765.db2.gz SVDIXLBQEBZZCV-FZMZJTMJSA-N 0 3 303.362 2.262 20 5 DEBDHN CCN1CCCN(C(=O)NCc2cccc([N+](=O)[O-])c2C)CC1 ZINC000332341976 403555832 /nfs/dbraw/zinc/55/58/32/403555832.db2.gz SIVGCKCUCQJAFP-UHFFFAOYSA-N 0 3 320.393 2.140 20 5 DEBDHN C[C@@H]1C[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCN1C ZINC000332221366 403519343 /nfs/dbraw/zinc/51/93/43/403519343.db2.gz ARMUQRUKISKHGW-MNOVXSKESA-N 0 3 316.361 2.289 20 5 DEBDHN C[C@H]1C[C@@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CCN1C ZINC000332225112 403521502 /nfs/dbraw/zinc/52/15/02/403521502.db2.gz BOSKUBGNNKNMOR-QWRGUYRKSA-N 0 3 316.361 2.289 20 5 DEBDHN CCC[C@@H](C)C(=O)NCCN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293768155 403559072 /nfs/dbraw/zinc/55/90/72/403559072.db2.gz RXNLJRSGTKIURF-NEPJUHHUSA-N 0 3 322.409 2.380 20 5 DEBDHN CN1CC[C@@]2(CCN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])C2)C1 ZINC000293974185 403613858 /nfs/dbraw/zinc/61/38/58/403613858.db2.gz UYMMBAXVHPSTKL-OAHLLOKOSA-N 0 3 323.780 2.416 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])cc1CNC1CCN(C(C)=O)CC1 ZINC000340463289 403620216 /nfs/dbraw/zinc/62/02/16/403620216.db2.gz GVJOOUVRKCRPCU-UHFFFAOYSA-N 0 3 321.377 2.094 20 5 DEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)CCN1CCOCC1 ZINC000347332732 403668014 /nfs/dbraw/zinc/66/80/14/403668014.db2.gz HGRKLGRGQNAYCA-NTCAYCPXSA-N 0 3 319.405 2.262 20 5 DEBDHN Cc1cccc(C(=O)N2CCN(C3CC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000295377986 403891473 /nfs/dbraw/zinc/89/14/73/403891473.db2.gz PIKFUQJBLCMRIL-GFCCVEGCSA-N 0 3 317.389 2.460 20 5 DEBDHN NC(=O)c1ccc(CN2CCC[C@@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000289426263 403959008 /nfs/dbraw/zinc/95/90/08/403959008.db2.gz NEXHHQONZQFVPD-CYBMUJFWSA-N 0 3 303.362 2.316 20 5 DEBDHN CO[C@@](C)([C@@H](C)NCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000411977603 404041025 /nfs/dbraw/zinc/04/10/25/404041025.db2.gz YEFKDUSAGUAJCL-BZNIZROVSA-N 0 3 321.377 2.327 20 5 DEBDHN O=C1CC[C@@H](CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCN1 ZINC000296377989 404220657 /nfs/dbraw/zinc/22/06/57/404220657.db2.gz TXPWFRSTPKQRQE-CQSZACIVSA-N 0 3 317.389 2.476 20 5 DEBDHN CN1CC=C(CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000412228858 404199825 /nfs/dbraw/zinc/19/98/25/404199825.db2.gz GQSZDYFMODNBMR-JKSUJKDBSA-N 0 3 315.373 2.076 20 5 DEBDHN CCCN(CCN1CCCCCC1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000290624826 404247923 /nfs/dbraw/zinc/24/79/23/404247923.db2.gz LEYCDTLJIQBBJF-UHFFFAOYSA-N 0 3 323.397 2.046 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@]2(CNC(=O)C2)C1 ZINC000349980184 404283399 /nfs/dbraw/zinc/28/33/99/404283399.db2.gz ZAFWINOSUORFGG-INIZCTEOSA-N 0 3 303.362 2.005 20 5 DEBDHN CCc1nn(C)c(N2CCCN(C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000364296716 404338860 /nfs/dbraw/zinc/33/88/60/404338860.db2.gz DLRLOHHJYQIFGQ-UHFFFAOYSA-N 0 3 321.425 2.345 20 5 DEBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@@H]1CCCN(C)C1=O ZINC000344742839 404343967 /nfs/dbraw/zinc/34/39/67/404343967.db2.gz UXLAFEKQXNDINV-TZMCWYRMSA-N 0 3 305.378 2.126 20 5 DEBDHN Cc1c(C(=O)N2CC[C@H](N3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000364091231 404315431 /nfs/dbraw/zinc/31/54/31/404315431.db2.gz RBBLBEBZPVHZBV-ZDUSSCGKSA-N 0 3 303.362 2.214 20 5 DEBDHN Cc1c([C@H](C)N[C@H]2CCCN(CCCO)C2)cccc1[N+](=O)[O-] ZINC000297267860 404525988 /nfs/dbraw/zinc/52/59/88/404525988.db2.gz KMIWPXHHLKZCDZ-GJZGRUSLSA-N 0 3 321.421 2.401 20 5 DEBDHN Cc1cc(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n(C)n1 ZINC000342571882 404657525 /nfs/dbraw/zinc/65/75/25/404657525.db2.gz FCAOGHXQNMAMFB-KGLIPLIRSA-N 0 3 318.381 2.107 20 5 DEBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000330555704 404687671 /nfs/dbraw/zinc/68/76/71/404687671.db2.gz VTGHPBBRLGNESO-CYBMUJFWSA-N 0 3 319.405 2.326 20 5 DEBDHN CCN1C[C@H](C)N(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000330589968 404694577 /nfs/dbraw/zinc/69/45/77/404694577.db2.gz URQBILBJFIUIGZ-RYUDHWBXSA-N 0 3 320.393 2.393 20 5 DEBDHN CN(C)[C@@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@@H]1O ZINC000359953223 404810936 /nfs/dbraw/zinc/81/09/36/404810936.db2.gz AFHKNKGJRFYCJE-MNOVXSKESA-N 0 3 320.176 2.013 20 5 DEBDHN CC(C)[C@H](O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000366579993 404818634 /nfs/dbraw/zinc/81/86/34/404818634.db2.gz LMIZCODACDGSGD-MRXNPFEDSA-N 0 3 308.378 2.455 20 5 DEBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(C3CCCC3)CC2)c1 ZINC000377909258 404850888 /nfs/dbraw/zinc/85/08/88/404850888.db2.gz KRANFZRPNSLDQG-INIZCTEOSA-N 0 3 322.409 2.054 20 5 DEBDHN O=[N+]([O-])c1ccc(CCN2CCC(O[C@@H]3CCOC3)CC2)cc1 ZINC000361425588 405070523 /nfs/dbraw/zinc/07/05/23/405070523.db2.gz OHDBMEBWYDVBQR-QGZVFWFLSA-N 0 3 320.389 2.407 20 5 DEBDHN COC[C@H]1CCCCN1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000452043964 405138216 /nfs/dbraw/zinc/13/82/16/405138216.db2.gz VKPKLNQMJWVNNZ-CYBMUJFWSA-N 0 3 324.377 2.483 20 5 DEBDHN Cc1cccc(C(=O)N2CCC[C@H]3CN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000425057109 405239243 /nfs/dbraw/zinc/23/92/43/405239243.db2.gz LUHICMSGWMVUAN-GXTWGEPZSA-N 0 3 303.362 2.069 20 5 DEBDHN C[C@H]1[C@@H](C)N(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000419375142 405245104 /nfs/dbraw/zinc/24/51/04/405245104.db2.gz QZNFZQKZIZFBMU-JHJVBQTASA-N 0 3 317.389 2.460 20 5 DEBDHN CC(C)CN1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000439683110 405288733 /nfs/dbraw/zinc/28/87/33/405288733.db2.gz GCMNVOYJJVAFEW-ZDUSSCGKSA-N 0 3 322.409 2.174 20 5 DEBDHN CN(C(=O)CN1CC[C@H]2CCC[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000426461740 405361568 /nfs/dbraw/zinc/36/15/68/405361568.db2.gz TUFFXRMHNYURLJ-DOMZBBRYSA-N 0 3 303.362 2.432 20 5 DEBDHN CN(C[C@@H]1CCCN1C)C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000493335381 405536396 /nfs/dbraw/zinc/53/63/96/405536396.db2.gz LEILRMRKTASKLL-OWNNVSBGSA-N 0 3 321.352 2.300 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000421781295 405645137 /nfs/dbraw/zinc/64/51/37/405645137.db2.gz AGJDPNFMZFRTHQ-SWLSCSKDSA-N 0 3 317.389 2.424 20 5 DEBDHN CC[C@H]1CN(CCN[C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000494463948 405703373 /nfs/dbraw/zinc/70/33/73/405703373.db2.gz ICHWQYOXVFODAH-BBRMVZONSA-N 0 3 307.394 2.356 20 5 DEBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CCCN(C(C)(C)C)CC1 ZINC000530369773 405790816 /nfs/dbraw/zinc/79/08/16/405790816.db2.gz MILJSUHKCLNZLY-UHFFFAOYSA-N 0 3 309.414 2.430 20 5 DEBDHN Cc1nc(N2CCN(CCC(C)(C)C)CC2)ncc1[N+](=O)[O-] ZINC000450270952 405810412 /nfs/dbraw/zinc/81/04/12/405810412.db2.gz VHKMNHHGMITGME-UHFFFAOYSA-N 0 3 307.398 2.251 20 5 DEBDHN COc1ccc([C@@H](CO)CNCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000459730049 406023524 /nfs/dbraw/zinc/02/35/24/406023524.db2.gz HLCIIVZBZZNJFL-OAHLLOKOSA-N 0 3 316.357 2.469 20 5 DEBDHN CC[C@H](C)NC(=O)CCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000519180648 406185315 /nfs/dbraw/zinc/18/53/15/406185315.db2.gz ZJNFNQDKBPRZHT-FZMZJTMJSA-N 0 3 305.378 2.477 20 5 DEBDHN O=[N+]([O-])c1ccc(N2CCN(C[C@H]3CC=CCC3)CC2)cn1 ZINC000536637757 406271895 /nfs/dbraw/zinc/27/18/95/406271895.db2.gz GZXLYEZYWZKCES-AWEZNQCLSA-N 0 3 302.378 2.468 20 5 DEBDHN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CC[C@@H](N2CCCC2)C1 ZINC000548087409 406478713 /nfs/dbraw/zinc/47/87/13/406478713.db2.gz AUGDJSAMBDSCGS-CYBMUJFWSA-N 0 3 322.340 2.436 20 5 DEBDHN O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N[C@H]1CCN(C2CC2)C1 ZINC000491564432 406624100 /nfs/dbraw/zinc/62/41/00/406624100.db2.gz WZKQJJQSTSQTNM-NHEDYWLLSA-N 0 3 319.336 2.100 20 5 DEBDHN C[C@H]1CCN(C)CCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000491829033 406739515 /nfs/dbraw/zinc/73/95/15/406739515.db2.gz WRNAYQCGRZWARK-UJZCVKTISA-N 0 3 303.362 2.161 20 5 DEBDHN CN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[C@H]1CN2CCC1CC2 ZINC000491794016 406723358 /nfs/dbraw/zinc/72/33/58/406723358.db2.gz IZCTYCYQWVHMOF-RRGWEWPQSA-N 0 3 315.373 2.161 20 5 DEBDHN CN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)[C@H]1CN2CCC1CC2 ZINC000491794014 406723424 /nfs/dbraw/zinc/72/34/24/406723424.db2.gz IZCTYCYQWVHMOF-OUOZUETKSA-N 0 3 315.373 2.161 20 5 DEBDHN C[C@@H]1C[C@H](NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CCN1C ZINC000491908835 406773843 /nfs/dbraw/zinc/77/38/43/406773843.db2.gz YBNFPLSDDGAJGA-PFBXESSKSA-N 0 3 303.362 2.207 20 5 DEBDHN O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N1CCN2CCC1CC2 ZINC000492033338 406816498 /nfs/dbraw/zinc/81/64/98/406816498.db2.gz QSNDRLFWJRPXLT-DUXPYHPUSA-N 0 3 319.336 2.054 20 5 DEBDHN C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc([N+](=O)[O-])cc1 ZINC000130988214 196130107 /nfs/dbraw/zinc/13/01/07/196130107.db2.gz NJLRXIQWSHZGDZ-JTQLQIEISA-N 0 3 305.294 2.050 20 5 DEBDHN C[C@H](NC(=O)N(C)CCN(C)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000297482704 227228196 /nfs/dbraw/zinc/22/81/96/227228196.db2.gz DXXHKZNRNWCWJG-LBPRGKRZSA-N 0 3 320.393 2.391 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(CCN(C)C)C1CC1 ZINC000422096140 230073135 /nfs/dbraw/zinc/07/31/35/230073135.db2.gz KFRUEDPTLQIIMD-UHFFFAOYSA-N 0 3 305.378 2.378 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCNc1cnccn1 ZINC000531991794 421646745 /nfs/dbraw/zinc/64/67/45/421646745.db2.gz SLYPIRDYKSQPAG-LBPRGKRZSA-N 0 3 301.350 2.456 20 5 DEBDHN CCc1ccc(C(=O)N[C@H]2CCN(C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000334059609 269013240 /nfs/dbraw/zinc/01/32/40/269013240.db2.gz AUSVFLOLGRMPIF-RISCZKNCSA-N 0 3 305.378 2.370 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1CN1CCN(CC(C)C)CC1 ZINC000430212713 269126332 /nfs/dbraw/zinc/12/63/32/269126332.db2.gz PMINITVQRNKJPK-UHFFFAOYSA-N 0 3 307.394 2.377 20 5 DEBDHN CCC[C@@H](C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)N(C)C ZINC000359638917 276020871 /nfs/dbraw/zinc/02/08/71/276020871.db2.gz RZZFLNUUCWIQCX-AWEZNQCLSA-N 0 3 321.377 2.046 20 5 DEBDHN CN1CCCC(C)(C)[C@@H]1CNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420629794 277040598 /nfs/dbraw/zinc/04/05/98/277040598.db2.gz RCANDTYKLXOVOT-ZDUSSCGKSA-N 0 3 320.393 2.226 20 5 DEBDHN C[C@H](CN1CCOCC1)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192674428 279319115 /nfs/dbraw/zinc/31/91/15/279319115.db2.gz UINDBFSKKUQASE-CXAGYDPISA-N 0 3 319.405 2.283 20 5 DEBDHN Cc1cccc(N2CCC(CN3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000302493826 281224701 /nfs/dbraw/zinc/22/47/01/281224701.db2.gz LDQARAZPNYOZGW-UHFFFAOYSA-N 0 3 319.405 2.452 20 5 DEBDHN CC[C@H](NC[C@H](O)COCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000129968663 281925825 /nfs/dbraw/zinc/92/58/25/281925825.db2.gz OSISICPATABIHZ-HOTGVXAUSA-N 0 3 308.378 2.423 20 5 DEBDHN CN(C)CCN(Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000349037187 289147276 /nfs/dbraw/zinc/14/72/76/289147276.db2.gz ROVHETPXVJZVQN-MRXNPFEDSA-N 0 3 307.394 2.137 20 5 DEBDHN C[C@H](C(=O)NCC1(N(C)C)CCC1)c1ccc([N+](=O)[O-])cc1F ZINC000353359364 298149649 /nfs/dbraw/zinc/14/96/49/298149649.db2.gz UFQVVJVKPIYBOK-NSHDSACASA-N 0 3 323.368 2.438 20 5 DEBDHN Cn1ccc(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000567581756 325824145 /nfs/dbraw/zinc/82/41/45/325824145.db2.gz PEOSUCZOMBJGNW-UHFFFAOYSA-N 0 3 302.334 2.052 20 5 DEBDHN CC1(C)C[C@H]1CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000573596209 326073671 /nfs/dbraw/zinc/07/36/71/326073671.db2.gz KFBCGLHCHICJNU-NSHDSACASA-N 0 3 312.391 2.004 20 5 DEBDHN O=[N+]([O-])c1ccccc1N1CCN(C[C@@H]2CCCC[C@H]2O)CC1 ZINC000577335712 326357510 /nfs/dbraw/zinc/35/75/10/326357510.db2.gz RDYSUDOKYNRONO-WMLDXEAASA-N 0 3 319.405 2.268 20 5 DEBDHN C[C@H](C(=O)N(C)CCN(C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000582938835 337219873 /nfs/dbraw/zinc/21/98/73/337219873.db2.gz VPWFIAYBTQGWGK-LBPRGKRZSA-N 0 3 305.378 2.251 20 5 DEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@@H](C)C(=O)NCCF ZINC000337280522 518414211 /nfs/dbraw/zinc/41/42/11/518414211.db2.gz HFHGSTWDLVIJMJ-KGTBHZDVSA-N 0 3 309.341 2.062 20 5 DEBDHN CCCCN1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000338426744 520583618 /nfs/dbraw/zinc/58/36/18/520583618.db2.gz SZWVXGHDNNESNX-CYBMUJFWSA-N 0 3 322.409 2.318 20 5 DEBDHN O=C1CC[C@@H](CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)CCN1 ZINC000296810354 534774434 /nfs/dbraw/zinc/77/44/34/534774434.db2.gz QAIFFHTYHGLMMN-CYBMUJFWSA-N 0 3 317.389 2.476 20 5 DEBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000245498170 524900735 /nfs/dbraw/zinc/90/07/35/524900735.db2.gz VNYODAOVPCMNEV-BXUZGUMPSA-N 0 3 306.366 2.399 20 5 DEBDHN CC(C)c1ccc(CN[C@H](CO)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000447974004 528102287 /nfs/dbraw/zinc/10/22/87/528102287.db2.gz DHNLDCCBKPDQKD-ZBFHGGJFSA-N 0 3 308.378 2.348 20 5 DEBDHN CCO[C@H]1C[C@H](NCc2c([N+](=O)[O-])ncn2C)C1(CC)CC ZINC000429345806 528141903 /nfs/dbraw/zinc/14/19/03/528141903.db2.gz RBGWXZMAQNKNQY-STQMWFEESA-N 0 3 310.398 2.402 20 5 DEBDHN CC[C@@H](C)N1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000295947612 529355147 /nfs/dbraw/zinc/35/51/47/529355147.db2.gz GXLQZEPCNGSCOY-CQSZACIVSA-N 0 3 307.394 2.390 20 5 DEBDHN CCNC(=O)[C@@H](N[C@@H](C)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000449337926 535391994 /nfs/dbraw/zinc/39/19/94/535391994.db2.gz DINXXOZTIVITEC-WFASDCNBSA-N 0 3 307.394 2.276 20 5 DEBDHN COc1ccc([C@H](CO)CNCc2cccc([N+](=O)[O-])c2)cc1 ZINC000459748417 536921378 /nfs/dbraw/zinc/92/13/78/536921378.db2.gz LVSVGLWTBTUSQG-HNNXBMFYSA-N 0 3 316.357 2.469 20 5 DEBDHN O=[N+]([O-])c1ccccc1CC[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823648318 599452876 /nfs/dbraw/zinc/45/28/76/599452876.db2.gz UKKNXIBOHLXOTG-UHFFFAOYSA-N 0 3 324.344 2.107 20 5 DEBDHN O=[N+]([O-])c1ccccc1CC[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823648318 599452878 /nfs/dbraw/zinc/45/28/78/599452878.db2.gz UKKNXIBOHLXOTG-UHFFFAOYSA-N 0 3 324.344 2.107 20 5 DEBDHN O=[N+]([O-])c1cccc(-c2noc([C@H]3CN4CCC[C@H]4CO3)n2)c1 ZINC000923774592 625472213 /nfs/dbraw/zinc/47/22/13/625472213.db2.gz ZWKGNKLXWZGOMU-QWHCGFSZSA-N 0 3 316.317 2.181 20 5 DEBDHN C[C@@H](C(=O)N[C@]1(C)CN2CCC1CC2)c1cccc([N+](=O)[O-])c1 ZINC000892775275 625580980 /nfs/dbraw/zinc/58/09/80/625580980.db2.gz ZBUKUKRBOQUWHK-SJKOYZFVSA-N 0 3 317.389 2.299 20 5 DEBDHN COc1cccc([C@@H](CNc2c([N+](=O)[O-])cnn2C)N(C)C)c1 ZINC000891500812 624460553 /nfs/dbraw/zinc/46/05/53/624460553.db2.gz DYDSKRHWIYWAHW-CYBMUJFWSA-N 0 3 319.365 2.052 20 5 DEBDHN Cn1ncc([N+](=O)[O-])c1N[C@H]1CCN(Cc2ccccc2)C1 ZINC000891506069 624462276 /nfs/dbraw/zinc/46/22/76/624462276.db2.gz VJVMSPIVDJMXCJ-ZDUSSCGKSA-N 0 3 301.350 2.015 20 5 DEBDHN COc1c(O)ccc(CN[C@]2(C)CCO[C@@H]2C2CC2)c1[N+](=O)[O-] ZINC000893538574 634226703 /nfs/dbraw/zinc/22/67/03/634226703.db2.gz ZEJQFKROGRRGBZ-HZPDHXFCSA-N 0 3 322.361 2.356 20 5 DEBDHN COc1c([O-])ccc(C[NH2+][C@@H]2CCO[C@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000893620470 635154274 /nfs/dbraw/zinc/15/42/74/635154274.db2.gz JTKOJCYWIRHNKG-OCCSQVGLSA-N 0 3 322.361 2.356 20 5 DEBDHN O=[N+]([O-])c1cnc2ccc(F)cc2c1N1CCN2CC[C@H]1C2 ZINC000894022706 636091195 /nfs/dbraw/zinc/09/11/95/636091195.db2.gz BKHWZHIOBUUPCP-NSHDSACASA-N 0 3 302.309 2.176 20 5 DEBDHN CN1C[C@H](CCNCc2cc([N+](=O)[O-])ccc2Cl)CC1=O ZINC000922489633 636200997 /nfs/dbraw/zinc/20/09/97/636200997.db2.gz RLMMOJVBFJOQMM-SNVBAGLBSA-N 0 3 311.769 2.206 20 5 DEBDHN COc1ccc(CNC[C@]2(OC(C)C)CCOC2)cc1[N+](=O)[O-] ZINC000922612145 636281689 /nfs/dbraw/zinc/28/16/89/636281689.db2.gz XFPWSKVFVZPVKV-MRXNPFEDSA-N 0 3 324.377 2.277 20 5 DEBDHN COc1c(O)ccc(CN2CCCCC[C@@H]2CCO)c1[N+](=O)[O-] ZINC000894292097 636723176 /nfs/dbraw/zinc/72/31/76/636723176.db2.gz BKSIQQXIDTYKJG-CYBMUJFWSA-N 0 3 324.377 2.436 20 5 DEBDHN CC[C@H]1C[C@@H]([NH2+]Cc2ccc([O-])c(OC)c2[N+](=O)[O-])CCO1 ZINC000894975604 637354767 /nfs/dbraw/zinc/35/47/67/637354767.db2.gz QFBFJYYWBFJJCL-RYUDHWBXSA-N 0 3 310.350 2.356 20 5 DEBDHN CCN(C[C@@H]1CCOC1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000738082817 637389834 /nfs/dbraw/zinc/38/98/34/637389834.db2.gz TUDDGFGQJJPZMZ-LBPRGKRZSA-N 0 3 304.350 2.260 20 5 DEBDHN COc1c(O)ccc(CNC[C@H]2CCC[C@@H](C)O2)c1[N+](=O)[O-] ZINC000895377035 637980321 /nfs/dbraw/zinc/98/03/21/637980321.db2.gz INASKMGWSGLBAT-ZYHUDNBSSA-N 0 3 310.350 2.356 20 5 DEBDHN COc1c(O)ccc(CNC[C@H]2CC(C)(C)CO2)c1[N+](=O)[O-] ZINC000895930139 638272695 /nfs/dbraw/zinc/27/26/95/638272695.db2.gz FBEVVELVLQFWQI-LLVKDONJSA-N 0 3 310.350 2.214 20 5 DEBDHN COC(=O)N1CCC[C@@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000749841332 638687162 /nfs/dbraw/zinc/68/71/62/638687162.db2.gz WFEKFEGVWHRCPA-WCQYABFASA-N 0 3 307.350 2.476 20 5 DEBDHN C[C@](CO)(NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000750067791 638708303 /nfs/dbraw/zinc/70/83/03/638708303.db2.gz RTURWZDPTGFTST-IAGOWNOFSA-N 0 3 316.357 2.126 20 5 DEBDHN Cc1c(CC(=O)OCCN2CCCCC2)cccc1[N+](=O)[O-] ZINC000770404528 641365020 /nfs/dbraw/zinc/36/50/20/641365020.db2.gz SWFDDJHZTFNYJZ-UHFFFAOYSA-N 0 3 306.362 2.475 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H](O)c1ccnn1C ZINC000927133235 641679953 /nfs/dbraw/zinc/67/99/53/641679953.db2.gz PUGGWZYZJOHYSZ-ABAIWWIYSA-N 0 3 304.350 2.021 20 5 DEBDHN C[C@@H](COC(=O)c1cccc(CN2CCCCC2)c1)[N+](=O)[O-] ZINC000842363975 650718290 /nfs/dbraw/zinc/71/82/90/650718290.db2.gz QKHGGXTXKMEESM-ZDUSSCGKSA-N 0 3 306.362 2.495 20 5 DEBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000776275965 642151792 /nfs/dbraw/zinc/15/17/92/642151792.db2.gz JEFVFFXXUIIKEZ-BBRMVZONSA-N 0 3 316.361 2.231 20 5 DEBDHN CN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](CO)c1ccccc1 ZINC000776582932 642188390 /nfs/dbraw/zinc/18/83/90/642188390.db2.gz WVHPPMPZBWOFSB-DLBZAZTESA-N 0 3 316.357 2.294 20 5 DEBDHN O=[N+]([O-])c1ccc(CNCCCNc2ncccn2)c(F)c1 ZINC000778096633 642337595 /nfs/dbraw/zinc/33/75/95/642337595.db2.gz IIAOSLQTUNHWQV-UHFFFAOYSA-N 0 3 305.313 2.116 20 5 DEBDHN O=[N+]([O-])c1ccc([C@H](O)CN[C@@H](CO)c2ccc(F)cc2)cc1 ZINC000782063564 642819653 /nfs/dbraw/zinc/81/96/53/642819653.db2.gz NDHMARNJLOWGBM-JKSUJKDBSA-N 0 3 320.320 2.091 20 5 DEBDHN COc1cc([C@H](C)NCC[C@@H](C)[S@@](C)=O)cc([N+](=O)[O-])c1 ZINC000903123509 643260231 /nfs/dbraw/zinc/26/02/31/643260231.db2.gz AQKQYRZWLYJPJU-NNUHMIRASA-N 0 3 314.407 2.411 20 5 DEBDHN COCC[C@@H](COC)N[C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903173483 643276687 /nfs/dbraw/zinc/27/66/87/643276687.db2.gz ZNZCTYXDNIJJNL-AAEUAGOBSA-N 0 3 312.366 2.306 20 5 DEBDHN O=[N+]([O-])c1cccc(CNC[C@H](O)CC2(O)CCCCC2)c1 ZINC000905066403 643785921 /nfs/dbraw/zinc/78/59/21/643785921.db2.gz PMAUJUGQHMERGC-OAHLLOKOSA-N 0 3 308.378 2.131 20 5 DEBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000791063057 643925581 /nfs/dbraw/zinc/92/55/81/643925581.db2.gz VGMSURANLXUKOR-CQSZACIVSA-N 0 3 320.393 2.027 20 5 DEBDHN Cc1nc([C@H]2CCCOC2)sc1C(=O)OCC(C)[N+](=O)[O-] ZINC000797277528 644864120 /nfs/dbraw/zinc/86/41/20/644864120.db2.gz BCSWRBXUOCWAER-WPRPVWTQSA-N 0 3 314.363 2.168 20 5 DEBDHN CN1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC12CCCCC2 ZINC000908571791 644912762 /nfs/dbraw/zinc/91/27/62/644912762.db2.gz MFLCGRGRUVITPJ-UHFFFAOYSA-N 0 3 311.426 2.299 20 5 DEBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000843819211 651035672 /nfs/dbraw/zinc/03/56/72/651035672.db2.gz TUYKVKPMVNTJKZ-KOLCDFICSA-N 0 3 321.352 2.397 20 5 DEBDHN C[C@H](NC(=O)NC[C@@H]1CCCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000912152896 645966287 /nfs/dbraw/zinc/96/62/87/645966287.db2.gz JUCHLUHRCZALMM-WFASDCNBSA-N 0 3 320.393 2.439 20 5 DEBDHN CC[C@H](C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)N(C)C ZINC000913384673 646339180 /nfs/dbraw/zinc/33/91/80/646339180.db2.gz AZOLUYZITDAPCY-SNVBAGLBSA-N 0 3 317.748 2.344 20 5 DEBDHN CC(COC(=O)c1ccc(CN2CCCCC2=O)cc1)[N+](=O)[O-] ZINC000813103732 646728634 /nfs/dbraw/zinc/72/86/34/646728634.db2.gz GQEVTYAWPUYMMF-GFCCVEGCSA-N 0 3 320.345 2.021 20 5 DEBDHN CC(COC(=O)[C@H](OC1CCOCC1)c1ccccc1)[N+](=O)[O-] ZINC000813106496 646729339 /nfs/dbraw/zinc/72/93/39/646729339.db2.gz CSPLJCWTSXMHLH-IUODEOHRSA-N 0 3 323.345 2.132 20 5 DEBDHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1Br ZINC000813106427 646729640 /nfs/dbraw/zinc/72/96/40/646729640.db2.gz BYUGUQCQPAGOCY-ZETCQYMHSA-N 0 3 318.123 2.280 20 5 DEBDHN CC(COC(=O)Cc1ccccc1Br)[N+](=O)[O-] ZINC000813108147 646730252 /nfs/dbraw/zinc/73/02/52/646730252.db2.gz BETQSTKXXHFPHE-MRVPVSSYSA-N 0 3 302.124 2.200 20 5 DEBDHN CC(COC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1)[N+](=O)[O-] ZINC000813108404 646730484 /nfs/dbraw/zinc/73/04/84/646730484.db2.gz XZJQSXYUHBTIKW-BREBYQMCSA-N 0 3 306.318 2.103 20 5 DEBDHN CC(COC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[N+](=O)[O-] ZINC000813107639 646730653 /nfs/dbraw/zinc/73/06/53/646730653.db2.gz PRTMUCHVGRXSEG-LURJTMIESA-N 0 3 322.195 2.436 20 5 DEBDHN COc1cc2cc(C(=O)OCC(C)[N+](=O)[O-])[nH]c2cc1OC ZINC000813107783 646730687 /nfs/dbraw/zinc/73/06/87/646730687.db2.gz WDMJQPUFNKMKEF-QMMMGPOBSA-N 0 3 308.290 2.007 20 5 DEBDHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])c(OC(F)F)c1 ZINC000813112608 646731404 /nfs/dbraw/zinc/73/14/04/646731404.db2.gz JOJOLQCHNVBIPK-ZETCQYMHSA-N 0 3 305.233 2.119 20 5 DEBDHN Cc1cc(C)n(-c2ccc(CC(=O)OCC(C)[N+](=O)[O-])cc2)n1 ZINC000813112453 646731531 /nfs/dbraw/zinc/73/15/31/646731531.db2.gz QBWOGIJGZWQPQS-CYBMUJFWSA-N 0 3 317.345 2.240 20 5 DEBDHN Cc1cc(NC(=O)N2CC[C@H]3CN(C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000917027955 647956875 /nfs/dbraw/zinc/95/68/75/647956875.db2.gz PZCLMONOWBGFIN-SMDDNHRTSA-N 0 3 304.350 2.071 20 5 DEBDHN O=[N+]([O-])c1ccc(CN2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)cc1F ZINC000830823137 649500886 /nfs/dbraw/zinc/50/08/86/649500886.db2.gz MKLXJUHNLUEPQS-XJKCOSOUSA-N 0 3 324.352 2.096 20 5 DEBDHN CN1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)C[C@@H]21 ZINC000834315191 649780521 /nfs/dbraw/zinc/78/05/21/649780521.db2.gz WXHFVHQUVPJDMO-RNCFNFMXSA-N 0 3 309.753 2.024 20 5 DEBDHN COc1ccc(C(=O)O[C@@H](C)CN2CCCC2)cc1[N+](=O)[O-] ZINC000845671002 651268901 /nfs/dbraw/zinc/26/89/01/651268901.db2.gz DXDGCVRIQQZMGK-NSHDSACASA-N 0 3 308.334 2.245 20 5 DEBDHN CC[C@@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C[C@H](C)N1 ZINC000856409146 651922619 /nfs/dbraw/zinc/92/26/19/651922619.db2.gz FPQOXQBZPCLMFD-VNCGOTGNSA-N 0 3 303.362 2.207 20 5 DEBDHN C[C@H]1[C@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CCN1C ZINC000928423198 693775792 /nfs/dbraw/zinc/77/57/92/693775792.db2.gz AETVFAUSQMEIIC-OIBJUYFYSA-N 0 3 315.732 2.210 20 5 DEBDHN CCOc1cc(F)cc(CNCCn2cc([N+](=O)[O-])cn2)c1 ZINC000865497147 687235235 /nfs/dbraw/zinc/23/52/35/687235235.db2.gz XEGYVEXTNPUYOG-UHFFFAOYSA-N 0 3 308.313 2.119 20 5 DEBDHN CN(CCc1cccc([N+](=O)[O-])c1)Cc1cnn(CCF)c1 ZINC000930355256 694144794 /nfs/dbraw/zinc/14/47/94/694144794.db2.gz WFPNDBNLHVPGMI-UHFFFAOYSA-N 0 3 306.341 2.435 20 5 DEBDHN C[C@@H](Nc1cc2n(n1)CCN(C)C2)c1ccccc1[N+](=O)[O-] ZINC000871929273 688896986 /nfs/dbraw/zinc/89/69/86/688896986.db2.gz WFQBRUSIBQMUOV-LLVKDONJSA-N 0 3 301.350 2.410 20 5 DEBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)CC(C)(C)O ZINC000871975100 688904712 /nfs/dbraw/zinc/90/47/12/688904712.db2.gz VCKMGAJLEOTKBZ-OAHLLOKOSA-N 0 3 310.394 2.327 20 5 DEBDHN C[C@@H](NC1CCC(C(N)=O)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872045457 688918438 /nfs/dbraw/zinc/91/84/38/688918438.db2.gz MJHMDVXTRKJCER-KPPDAEKUSA-N 0 3 309.341 2.429 20 5 DEBDHN CC(C)Oc1nc(N2CC[C@H]3[C@H]2CCCN3C)ccc1[N+](=O)[O-] ZINC000872779573 689091054 /nfs/dbraw/zinc/09/10/54/689091054.db2.gz RBTARDKMZGWMOT-QWHCGFSZSA-N 0 3 320.393 2.450 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNCCNC(=O)C(C)(C)C ZINC000873044066 689147500 /nfs/dbraw/zinc/14/75/00/689147500.db2.gz ASDFVQMXBXRCIH-UHFFFAOYSA-N 0 3 307.394 2.464 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@H](C)N1CCCC1 ZINC000874378688 689395892 /nfs/dbraw/zinc/39/58/92/689395892.db2.gz GNBWUZILIUELEX-GFCCVEGCSA-N 0 3 305.378 2.426 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@@H]2CCCN3C)c1 ZINC000874837418 689511324 /nfs/dbraw/zinc/51/13/24/689511324.db2.gz JHUOBZZJVGRDPK-GJZGRUSLSA-N 0 3 303.362 2.212 20 5 DEBDHN CCN(C(=O)NCc1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000876169304 689773311 /nfs/dbraw/zinc/77/33/11/689773311.db2.gz SOESJDHPEIJWLB-CQSZACIVSA-N 0 3 320.393 2.139 20 5 DEBDHN CCO[C@@H]1C[C@H](NCc2c(C)ccc([N+](=O)[O-])c2C)[C@@H]1OC ZINC000877352590 690086703 /nfs/dbraw/zinc/08/67/03/690086703.db2.gz ZFMOJGMWDKFAGA-IMJJTQAJSA-N 0 3 308.378 2.494 20 5 DEBDHN CC(C)[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCN1C ZINC000877751127 690215620 /nfs/dbraw/zinc/21/56/20/690215620.db2.gz WDOYTBKKTNCYJE-OAHLLOKOSA-N 0 3 322.365 2.275 20 5 DEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC(CO)(CO)CC1 ZINC000877798546 690234462 /nfs/dbraw/zinc/23/44/62/690234462.db2.gz WVLBQDZYQBHRCN-NTEUORMPSA-N 0 3 320.389 2.065 20 5 DEBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC[C@H]2c2cn[nH]c2)cc1 ZINC000878876859 690519103 /nfs/dbraw/zinc/51/91/03/690519103.db2.gz WFCVFIIMFRCCBM-GJZGRUSLSA-N 0 3 302.334 2.188 20 5 DEBDHN C[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1cc2cnccc2o1 ZINC000879714063 690713810 /nfs/dbraw/zinc/71/38/10/690713810.db2.gz UJUDVJVLBAIKFS-SNVBAGLBSA-N 0 3 301.306 2.283 20 5 DEBDHN CC(C)(C)[C@H](N)c1cn(Cc2ccc([N+](=O)[O-])c(F)c2)nn1 ZINC000881213279 691050860 /nfs/dbraw/zinc/05/08/60/691050860.db2.gz NCFOJADCDWLYFB-CYBMUJFWSA-N 0 3 307.329 2.420 20 5 DEBDHN COc1cc(CNCCc2ccns2)c([N+](=O)[O-])cc1O ZINC000883241519 691464551 /nfs/dbraw/zinc/46/45/51/691464551.db2.gz AXYUPYAWCCYEEL-UHFFFAOYSA-N 0 3 309.347 2.098 20 5 DEBDHN O=[N+]([O-])c1ccc(CCN2CC[C@@](CO)(C(F)(F)F)C2)cc1 ZINC000886797550 692194005 /nfs/dbraw/zinc/19/40/05/692194005.db2.gz WIABIPPZQDMJMW-CYBMUJFWSA-N 0 3 318.295 2.384 20 5 DEBDHN COC[C@H](NCc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CCCOC1 ZINC000886916249 692230024 /nfs/dbraw/zinc/23/00/24/692230024.db2.gz RAJCAXHSWZWRGI-OCCSQVGLSA-N 0 3 312.341 2.265 20 5 DEBDHN COc1c(O)ccc(CNC[C@H](CC(C)C)OC)c1[N+](=O)[O-] ZINC000894947260 692992105 /nfs/dbraw/zinc/99/21/05/692992105.db2.gz DQGDERGCBBKZBD-LBPRGKRZSA-N 0 3 312.366 2.460 20 5 DEBDHN Cc1cc(Cc2noc(C3(CN(C)C)CC3)n2)ccc1[N+](=O)[O-] ZINC000923946264 693076607 /nfs/dbraw/zinc/07/66/07/693076607.db2.gz MSNXLZPEUOKKQR-UHFFFAOYSA-N 0 3 316.361 2.470 20 5 DEBDHN C[C@@H](NC(=O)N1CCCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000925228725 693243856 /nfs/dbraw/zinc/24/38/56/693243856.db2.gz ZBNAHNQKOHGWGY-GFCCVEGCSA-N 0 3 306.366 2.003 20 5 DEBDHN Cc1ccc([C@H](C)NC[C@H](O)C2(O)CCCC2)cc1[N+](=O)[O-] ZINC001333905724 1150123992 /nfs/dbraw/zinc/12/39/92/1150123992.db2.gz VNVUBVMPAHDGCU-WFASDCNBSA-N 0 3 308.378 2.220 20 5 DEBDHN COc1cc([C@H](C)N[C@@H](CCO)CSC)cc([N+](=O)[O-])c1 ZINC001334754973 1150339548 /nfs/dbraw/zinc/33/95/48/1150339548.db2.gz IOFFBWHLWJBIJD-JQWIXIFHSA-N 0 3 314.407 2.368 20 5 DEBDHN Cc1ccccc1[C@H](CO)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001346110358 1150941888 /nfs/dbraw/zinc/94/18/88/1150941888.db2.gz PTWUBNICELPKDF-IRXDYDNUSA-N 0 3 316.357 2.260 20 5 DEBDHN CSCC[C@@H](N)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001354146001 1151874251 /nfs/dbraw/zinc/87/42/51/1151874251.db2.gz RXRAJASIMCJNJJ-CQSZACIVSA-N 0 3 323.418 2.166 20 5 DEBDHN C[C@@H]1[C@H](C)NC[C@H](C)N1C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001354893011 1151952794 /nfs/dbraw/zinc/95/27/94/1151952794.db2.gz IRIFBKZWIXACDB-RWNPNPFLSA-N 0 3 317.389 2.296 20 5 DEBDHN COc1cc(N2CCN(C3CCCC3)CC2)ncc1[N+](=O)[O-] ZINC001165028561 721855244 /nfs/dbraw/zinc/85/52/44/721855244.db2.gz NNIWKXQNMYXTCR-UHFFFAOYSA-N 0 3 306.366 2.063 20 5 DEBDHN C[C@@H]1COC[C@H]1NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000699859732 782971280 /nfs/dbraw/zinc/97/12/80/782971280.db2.gz CMXQVBPXEVEETO-LDYMZIIASA-N 0 3 315.167 2.482 20 5 DEBDHN NCc1nn(-c2ccc3ncc([N+](=O)[O-])n3c2)c2ccccc12 ZINC001167697868 777889383 /nfs/dbraw/zinc/88/93/83/777889383.db2.gz GKHZAONXVNXNLM-UHFFFAOYSA-N 0 3 308.301 2.040 20 5 DEBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](NCc2cccnc2Br)C1 ZINC001168988324 785005724 /nfs/dbraw/zinc/00/57/24/785005724.db2.gz QWFRFKKTXWDSGY-MWLCHTKSSA-N 0 3 314.183 2.379 20 5 DEBDHN COC(=O)c1ccc2c(c1)CN([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169036044 785011481 /nfs/dbraw/zinc/01/14/81/785011481.db2.gz MUDNGUICZBLLLS-BLLLJJGKSA-N 0 3 318.373 2.277 20 5 DEBDHN O=[N+]([O-])C[C@@H]1CC[C@H](n2nc(C(F)(F)F)c3c2CNCC3)C1 ZINC001169042475 785014797 /nfs/dbraw/zinc/01/47/97/785014797.db2.gz DVMUYRBSYBWSRO-BDAKNGLRSA-N 0 3 318.299 2.166 20 5 DEBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2CCN(c3cccc(F)c3)CC2)C1 ZINC001169050026 785021328 /nfs/dbraw/zinc/02/13/28/785021328.db2.gz YBBNSRMPADSOLR-XJKSGUPXSA-N 0 3 307.369 2.393 20 5 DEBDHN NCc1ccc2c(n1)N(c1ccc3c([N+](=O)[O-])c[nH]c3n1)CCC2 ZINC001169585061 785265120 /nfs/dbraw/zinc/26/51/20/785265120.db2.gz ZTHYZJHRDFWOJH-UHFFFAOYSA-N 0 3 324.344 2.409 20 5 DEBDHN COc1ccc(C[C@@H](C)N(C)Cc2cnn(C)c2)c([N+](=O)[O-])c1 ZINC001170326638 786909778 /nfs/dbraw/zinc/90/97/78/786909778.db2.gz BAZKYJMPXLPQOZ-GFCCVEGCSA-N 0 3 318.377 2.400 20 5 DEBDHN Cc1cncc([N+](=O)[O-])c1NC[C@H](c1cccs1)N(C)C ZINC001116727563 794981839 /nfs/dbraw/zinc/98/18/39/794981839.db2.gz YENFUOQTEDZYAZ-LLVKDONJSA-N 0 3 306.391 2.496 20 5 DEBDHN O=[N+]([O-])c1cc(F)cnc1N1CCNC[C@@H]1c1cccs1 ZINC001156089488 797923523 /nfs/dbraw/zinc/92/35/23/797923523.db2.gz NJDDQRVLSGEZJW-LLVKDONJSA-N 0 3 308.338 2.341 20 5 DEBDHN NCc1nn(-c2cnc3ccc([N+](=O)[O-])cc3n2)c2ccccc12 ZINC001156855488 798094984 /nfs/dbraw/zinc/09/49/84/798094984.db2.gz AUHBYHXMURDLIV-UHFFFAOYSA-N 0 3 320.312 2.336 20 5 DEBDHN CCN1CC[C@H](Oc2ccc3c(C)cc(=O)oc3c2[N+](=O)[O-])C1 ZINC001229941698 801340098 /nfs/dbraw/zinc/34/00/98/801340098.db2.gz CUXJNGGLTIUUNS-NSHDSACASA-N 0 3 318.329 2.483 20 5 DEBDHN O=[N+]([O-])c1cccc2ncnc(O[C@@H]3CN4CCC3CC4)c21 ZINC001231053344 801565826 /nfs/dbraw/zinc/56/58/26/801565826.db2.gz PHNOGCAPZKBELI-CYBMUJFWSA-N 0 3 300.318 2.011 20 5 DEBDHN COc1cc(CO[C@@H]2CN3CCC2CC3)c([N+](=O)[O-])cc1OC ZINC001223906224 802822624 /nfs/dbraw/zinc/82/26/24/802822624.db2.gz AGTKUHMCSXPDPG-MRXNPFEDSA-N 0 3 322.361 2.223 20 5 DEBDHN O=[N+]([O-])c1ccc2ncnc(O[C@@H]3CN4CCC3CC4)c2c1 ZINC001226435560 803106942 /nfs/dbraw/zinc/10/69/42/803106942.db2.gz DAXLKBKKGPFMAE-CQSZACIVSA-N 0 3 300.318 2.011 20 5 DEBDHN O=[N+]([O-])c1cc2c(cc1F)ncnc2O[C@H]1CN2CCC1CC2 ZINC001226804660 803162257 /nfs/dbraw/zinc/16/22/57/803162257.db2.gz QBOCVTYSKOZPTH-AWEZNQCLSA-N 0 3 318.308 2.150 20 5 DEBDHN CC(COC(=O)c1cc2c([nH]c1=O)CCC(C)(C)C2)[N+](=O)[O-] ZINC001343429189 1150741654 /nfs/dbraw/zinc/74/16/54/1150741654.db2.gz GVPXMZBFAYZMTL-SECBINFHSA-N 0 3 308.334 2.124 20 5 DEBDHN C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603890048 1070136870 /nfs/dbraw/zinc/13/68/70/1070136870.db2.gz ADTCIFXTKSWPGY-SKDRFNHKSA-N 0 3 302.338 2.053 20 5 DEBDHN C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603890048 1070136872 /nfs/dbraw/zinc/13/68/72/1070136872.db2.gz ADTCIFXTKSWPGY-SKDRFNHKSA-N 0 3 302.338 2.053 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1CNC1(CC(N)=O)CCCCC1 ZINC001473869028 1060744050 /nfs/dbraw/zinc/74/40/50/1060744050.db2.gz OYYXOGSBEOURBW-UHFFFAOYSA-N 0 3 321.377 2.271 20 5 DEBDHN CC1=NO[C@H](CN[C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001474649010 1060911346 /nfs/dbraw/zinc/91/13/46/1060911346.db2.gz XDHLMHRETFDFHR-HZMBPMFUSA-N 0 3 320.349 2.066 20 5 DEBDHN C/C=C(/C)C(=O)N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001480197924 1062451182 /nfs/dbraw/zinc/45/11/82/1062451182.db2.gz AZUPANCVPHTHDZ-RMPFGGCRSA-N 0 3 303.362 2.298 20 5 DEBDHN Cc1cocc1C(=O)N(C)CCNCc1ccc([N+](=O)[O-])cc1 ZINC001493657480 1063901438 /nfs/dbraw/zinc/90/14/38/1063901438.db2.gz FHKJGNKATJBDCJ-UHFFFAOYSA-N 0 3 317.345 2.358 20 5 DEBDHN COc1cc(C[NH2+][C@@H](CCO)C2CCCC2)c([N+](=O)[O-])cc1[O-] ZINC001621083397 1078115997 /nfs/dbraw/zinc/11/59/97/1078115997.db2.gz JVLZSPZKBIPFBH-ZDUSSCGKSA-N 0 3 324.377 2.340 20 5 DEBDHN CC(C)c1n[nH]c(C(=O)N[C@H]2CCCN(C(C)C)C2)c1[N+](=O)[O-] ZINC001632477133 1078384380 /nfs/dbraw/zinc/38/43/80/1078384380.db2.gz HMUBNCOGPXMEKZ-NSHDSACASA-N 0 3 323.397 2.044 20 5 DEBDHN O=[N+]([O-])c1cccc(-c2ccc(CNCCn3cncn3)o2)c1 ZINC001620783794 1067155814 /nfs/dbraw/zinc/15/58/14/1067155814.db2.gz BBVLRDFIWGTFPY-UHFFFAOYSA-N 0 3 313.317 2.236 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc2c1CNC2 ZINC001579180543 1067251327 /nfs/dbraw/zinc/25/13/27/1067251327.db2.gz PTLAFHFHDNPVPN-UHFFFAOYSA-N 0 3 313.313 2.459 20 5 DEBDHN CC1CCC(N2CCN(c3nn(C)cc3[N+](=O)[O-])CC2)CC1 ZINC001639482060 1078615557 /nfs/dbraw/zinc/61/55/57/1078615557.db2.gz HAJFNOBECGIHNX-UHFFFAOYSA-N 0 3 307.398 2.029 20 5 DEBDHN CC(C)C[C@@H](N)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001573502389 1069019791 /nfs/dbraw/zinc/01/97/91/1069019791.db2.gz OBQFVXICENVYFR-OAHLLOKOSA-N 0 3 305.378 2.459 20 5 DEBDHN COC(=O)c1cc(NC(=O)[C@H](N)C(C)(C)C)c(C)c([N+](=O)[O-])c1 ZINC001573938771 1069131470 /nfs/dbraw/zinc/13/14/70/1069131470.db2.gz QOZAJUVNCJYICB-LBPRGKRZSA-N 0 3 323.349 2.002 20 5 DEBDHN COc1cc(C[NH2+]CCCC(C)(C)CO)c([N+](=O)[O-])cc1[O-] ZINC001650253578 1079482732 /nfs/dbraw/zinc/48/27/32/1079482732.db2.gz FPICOSMTCNJBSQ-UHFFFAOYSA-N 0 3 312.366 2.197 20 5 DEBDHN CC(C)[C@H](C)[N@H+](C)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589436705 1076489090 /nfs/dbraw/zinc/48/90/90/1076489090.db2.gz GVCJPVAGQUPXTO-JTQLQIEISA-N 0 3 304.354 2.251 20 5 DEBDHN CC(C)[C@H](C)[N@@H+](C)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589436705 1076489091 /nfs/dbraw/zinc/48/90/91/1076489091.db2.gz GVCJPVAGQUPXTO-JTQLQIEISA-N 0 3 304.354 2.251 20 5 DEBDHN CC(C)[C@H](C)[N@H+](C)Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589436705 1076489093 /nfs/dbraw/zinc/48/90/93/1076489093.db2.gz GVCJPVAGQUPXTO-JTQLQIEISA-N 0 3 304.354 2.251 20 5 DEBDHN CC(C)[C@H](C)[N@@H+](C)Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589436705 1076489096 /nfs/dbraw/zinc/48/90/96/1076489096.db2.gz GVCJPVAGQUPXTO-JTQLQIEISA-N 0 3 304.354 2.251 20 5 DEBDHN CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609198491 1077795134 /nfs/dbraw/zinc/79/51/34/1077795134.db2.gz BSDRMUHNBKLAPV-GHMZBOCLSA-N 0 3 316.365 2.395 20 5 DEBDHN CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609198491 1077795138 /nfs/dbraw/zinc/79/51/38/1077795138.db2.gz BSDRMUHNBKLAPV-GHMZBOCLSA-N 0 3 316.365 2.395 20 5 DEBDHN CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609198491 1077795143 /nfs/dbraw/zinc/79/51/43/1077795143.db2.gz BSDRMUHNBKLAPV-GHMZBOCLSA-N 0 3 316.365 2.395 20 5 DEBDHN CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609198491 1077795147 /nfs/dbraw/zinc/79/51/47/1077795147.db2.gz BSDRMUHNBKLAPV-GHMZBOCLSA-N 0 3 316.365 2.395 20 5 DEBDHN CN1C[C@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C(C)(C)C1 ZINC001652488101 1079878007 /nfs/dbraw/zinc/87/80/07/1079878007.db2.gz ILYMIDHQJWQJJD-AWEZNQCLSA-N 0 3 316.361 2.146 20 5 DEBDHN CCC(O)(CC)C(C)(C)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001654582072 1079971480 /nfs/dbraw/zinc/97/14/80/1079971480.db2.gz YPIJMOKTSQCPMM-UHFFFAOYSA-N 0 3 323.393 2.453 20 5 DEBDHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)C1CC2(CC2)C1 ZINC001664178863 1080871233 /nfs/dbraw/zinc/87/12/33/1080871233.db2.gz YNBNWJWJWRVBSN-UHFFFAOYSA-N 0 3 317.389 2.333 20 5 DEBDHN Cc1ccc(CNC(=O)[C@H](N)C2CCCCC2)cc1[N+](=O)[O-] ZINC001352865415 1151787002 /nfs/dbraw/zinc/78/70/02/1151787002.db2.gz ZEVLPBJXISNKDB-OAHLLOKOSA-N 0 3 305.378 2.427 20 5 DEBDHN COC(=O)CC(C)(C)N(C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC001324314796 1142053841 /nfs/dbraw/zinc/05/38/41/1142053841.db2.gz NXYHAPHSOKEABG-UHFFFAOYSA-N 0 3 310.350 2.377 20 5 DEBDHN CC(C)(F)CCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001336820105 1142585345 /nfs/dbraw/zinc/58/53/45/1142585345.db2.gz RVXWNNPDDZZRII-UHFFFAOYSA-N 0 3 318.370 2.096 20 5 DEBDHN CCN1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1NC ZINC001338793877 1142879129 /nfs/dbraw/zinc/87/91/29/1142879129.db2.gz VNFYDUODKOSENR-ZDUSSCGKSA-N 0 3 320.393 2.241 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCCN1CCOCC1 ZINC000151193558 282112565 /nfs/dbraw/zinc/11/25/65/282112565.db2.gz HDVKIFYJWMTDOA-CQSZACIVSA-N 0 3 307.394 2.276 20 5 DEBDHN CCc1ccc(C(=O)N2CC[C@@H]3CC[C@H](C2)N3C)cc1[N+](=O)[O-] ZINC000173496091 282190651 /nfs/dbraw/zinc/19/06/51/282190651.db2.gz ZAFIIEQDSIXGQF-LSDHHAIUSA-N 0 3 317.389 2.466 20 5 DEBDHN CN(C)CCN(Cc1ccco1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000088250464 185243490 /nfs/dbraw/zinc/24/34/90/185243490.db2.gz VAIDWQNDHJJFOC-UHFFFAOYSA-N 0 3 317.345 2.392 20 5 DEBDHN CCNC(=O)N1CC[C@@H](N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000090410009 185294698 /nfs/dbraw/zinc/29/46/98/185294698.db2.gz CHUWNROCNOGRPY-GXTWGEPZSA-N 0 3 320.393 2.358 20 5 DEBDHN CC(=O)Nc1cccc([C@H](C)NCCn2cc([N+](=O)[O-])cn2)c1 ZINC000090538643 185301502 /nfs/dbraw/zinc/30/15/02/185301502.db2.gz XTHQRVWVZMNBDP-NSHDSACASA-N 0 3 317.349 2.101 20 5 DEBDHN CCN1CCC[C@@H]1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000286693500 219114066 /nfs/dbraw/zinc/11/40/66/219114066.db2.gz BQRZUZJLXLJRAE-SECBINFHSA-N 0 3 307.379 2.496 20 5 DEBDHN CS[C@H]1CN(c2cccnc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000614822125 362469796 /nfs/dbraw/zinc/46/97/96/362469796.db2.gz QOJSRAFSAJKERX-STQMWFEESA-N 0 3 308.407 2.006 20 5 DEBDHN CN1CCCC(C)(C)[C@@H]1CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000447815361 530051603 /nfs/dbraw/zinc/05/16/03/530051603.db2.gz FHEKWGDFMPFABY-AWEZNQCLSA-N 0 3 320.393 2.226 20 5 DEBDHN CN1CCCC(C)(C)[C@H]1CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000447815362 530051825 /nfs/dbraw/zinc/05/18/25/530051825.db2.gz FHEKWGDFMPFABY-CQSZACIVSA-N 0 3 320.393 2.226 20 5 DEBDHN C[C@H](NC(=O)NC[C@@H]1CCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000139725161 186023870 /nfs/dbraw/zinc/02/38/70/186023870.db2.gz GZNDWDBXUSCZSF-FZMZJTMJSA-N 0 3 306.366 2.049 20 5 DEBDHN C[C@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])N1CCCC1 ZINC000149231450 186048181 /nfs/dbraw/zinc/04/81/81/186048181.db2.gz FGZVKAACCRSLFF-SNVBAGLBSA-N 0 3 311.769 2.462 20 5 DEBDHN CN(C)C1(CN(C)C(=O)CCc2cccc([N+](=O)[O-])c2)CCC1 ZINC000188050732 186249961 /nfs/dbraw/zinc/24/99/61/186249961.db2.gz DDPHOYQPOGNNHC-UHFFFAOYSA-N 0 3 319.405 2.470 20 5 DEBDHN COCC[C@@](C)(O)CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000172672318 198134370 /nfs/dbraw/zinc/13/43/70/198134370.db2.gz JCAPBIDZZOENTA-CYBMUJFWSA-N 0 3 302.758 2.125 20 5 DEBDHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000182092893 199385442 /nfs/dbraw/zinc/38/54/42/199385442.db2.gz SPYQGCSJSBKCSG-LBPRGKRZSA-N 0 3 317.345 2.438 20 5 DEBDHN C[C@H](C(=O)N(C)C1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000617687289 363223825 /nfs/dbraw/zinc/22/38/25/363223825.db2.gz HPPOPSXVIFOFFV-LBPRGKRZSA-N 0 3 305.378 2.251 20 5 DEBDHN CC(C)[C@H](CNc1ccccc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000044406522 354235432 /nfs/dbraw/zinc/23/54/32/354235432.db2.gz JWNSEFRLTJMOAN-INIZCTEOSA-N 0 3 306.410 2.279 20 5 DEBDHN CCN(CC)[C@H](CNc1c([N+](=O)[O-])ncn1C)c1ccco1 ZINC000064114332 354662207 /nfs/dbraw/zinc/66/22/07/354662207.db2.gz COLLIPBUZCYCIJ-LLVKDONJSA-N 0 3 307.354 2.416 20 5 DEBDHN C[C@H](CN1CCCCC1)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000067725680 354775949 /nfs/dbraw/zinc/77/59/49/354775949.db2.gz PKNMQMGTWZLGLP-CYBMUJFWSA-N 0 3 320.393 2.268 20 5 DEBDHN CC(C)c1ccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000390887847 540135060 /nfs/dbraw/zinc/13/50/60/540135060.db2.gz XUFALJROEHSKDH-MRXNPFEDSA-N 0 3 318.377 2.065 20 5 DEBDHN Cc1cc(N(C)CCN(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000080685424 355380573 /nfs/dbraw/zinc/38/05/73/355380573.db2.gz CYDHWNJDTCHZMU-UHFFFAOYSA-N 0 3 315.377 2.358 20 5 DEBDHN O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CCN(CC2CC2)C1 ZINC000108431886 355735107 /nfs/dbraw/zinc/73/51/07/355735107.db2.gz KNIISBGNEODGSB-ZDUSSCGKSA-N 0 3 304.350 2.201 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H](O)COCC1CC1 ZINC000129908879 355837337 /nfs/dbraw/zinc/83/73/37/355837337.db2.gz MVUFVPHXMKNZBB-SWLSCSKDSA-N 0 3 308.378 2.341 20 5 DEBDHN O=C(N[C@H]1CCN(CC2CC2)C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134882749 355862488 /nfs/dbraw/zinc/86/24/88/355862488.db2.gz VTGOPPQAWZZBJV-ZDUSSCGKSA-N 0 3 323.780 2.462 20 5 DEBDHN Cc1ccc(CNc2cnn(CCN(C)C)c2)cc1[N+](=O)[O-] ZINC000236995080 356292918 /nfs/dbraw/zinc/29/29/18/356292918.db2.gz IYGZLVQNGHDZNZ-UHFFFAOYSA-N 0 3 303.366 2.273 20 5 DEBDHN CN1CC[C@]2(CCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])C2)C1 ZINC000293915370 283169197 /nfs/dbraw/zinc/16/91/97/283169197.db2.gz OWJOQTOTCDOZFV-HNNXBMFYSA-N 0 3 323.780 2.416 20 5 DEBDHN CCC(O)(CC)CNCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000236856866 202038941 /nfs/dbraw/zinc/03/89/41/202038941.db2.gz VKCMMNXNWLKPMG-UHFFFAOYSA-N 0 3 312.366 2.253 20 5 DEBDHN O=[N+]([O-])c1ccc(CCN2CCC[C@H](n3ccnn3)C2)cc1 ZINC000425499755 283209539 /nfs/dbraw/zinc/20/95/39/283209539.db2.gz KADOOOCNCWDTKL-HNNXBMFYSA-N 0 3 301.350 2.066 20 5 DEBDHN O=[N+]([O-])c1cc2c(cc1CNCCCC1(O)CCC1)OCCO2 ZINC000591505423 357731183 /nfs/dbraw/zinc/73/11/83/357731183.db2.gz RIMMBAMGDGWNSU-UHFFFAOYSA-N 0 3 322.361 2.151 20 5 DEBDHN CCCN(C(=O)Cc1cccc([N+](=O)[O-])c1C)[C@@H]1CCN(C)C1 ZINC000592828074 357952360 /nfs/dbraw/zinc/95/23/60/357952360.db2.gz AYPFEOARFNAYKY-OAHLLOKOSA-N 0 3 319.405 2.388 20 5 DEBDHN C[C@H]1CCCN(CCNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593408774 358071589 /nfs/dbraw/zinc/07/15/89/358071589.db2.gz UPGNGKKNZHSURS-LBPRGKRZSA-N 0 3 323.368 2.125 20 5 DEBDHN Cc1cccc(C(=O)N(C)CCN2CCCCC2)c1[N+](=O)[O-] ZINC000593881880 358164383 /nfs/dbraw/zinc/16/43/83/358164383.db2.gz AKDGQTIMPFUGQG-UHFFFAOYSA-N 0 3 305.378 2.461 20 5 DEBDHN CCC(C)(C)N1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000594593391 358300391 /nfs/dbraw/zinc/30/03/91/358300391.db2.gz CDXBSUPBJNQZMI-UHFFFAOYSA-N 0 3 320.393 2.004 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC1(CO)CCOCC1 ZINC000595022837 358379656 /nfs/dbraw/zinc/37/96/56/358379656.db2.gz OORXWPDTZMTHNH-GFCCVEGCSA-N 0 3 324.377 2.043 20 5 DEBDHN C[C@H](CO)[C@H]1CCCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000595674530 358518416 /nfs/dbraw/zinc/51/84/16/358518416.db2.gz LDMYGXUISFWVNM-ZIAGYGMSSA-N 0 3 308.378 2.457 20 5 DEBDHN O=[N+]([O-])c1ccn(CCN2CCC([C@@H]3CCCCO3)CC2)n1 ZINC000595786825 358549322 /nfs/dbraw/zinc/54/93/22/358549322.db2.gz HTKXQEWLTUIMRM-AWEZNQCLSA-N 0 3 308.382 2.072 20 5 DEBDHN C[C@@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)[C@H]1CCO ZINC000595695344 358525460 /nfs/dbraw/zinc/52/54/60/358525460.db2.gz GWIBQFAVUAUTAK-CJNGLKHVSA-N 0 3 308.378 2.457 20 5 DEBDHN Cc1cc(N[C@H](CO)CN(C)C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000596240880 358649922 /nfs/dbraw/zinc/64/99/22/358649922.db2.gz BAUHFOYYVQTDEE-VIFPVBQESA-N 0 3 321.299 2.256 20 5 DEBDHN CN1CC[C@@]2(C1)CCCN(C(=O)c1csc([N+](=O)[O-])c1)C2 ZINC000597714810 358986374 /nfs/dbraw/zinc/98/63/74/358986374.db2.gz JTNGYXBYURVPKG-CQSZACIVSA-N 0 3 309.391 2.214 20 5 DEBDHN CN1CC[C@@]2(C1)CCCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)C2 ZINC000597716709 358987396 /nfs/dbraw/zinc/98/73/96/358987396.db2.gz SEGRQBRRMRQUDM-MRXNPFEDSA-N 0 3 321.352 2.292 20 5 DEBDHN CCOC(=O)N1CC[C@@H](NC/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000185772370 199886504 /nfs/dbraw/zinc/88/65/04/199886504.db2.gz VDBSEPDGZHVIIA-HZRUHFOJSA-N 0 3 319.361 2.428 20 5 DEBDHN CCCN1CC[C@@H](NC(=O)c2ccc(OCC)c([N+](=O)[O-])c2)C1 ZINC000598342024 359168995 /nfs/dbraw/zinc/16/89/95/359168995.db2.gz BIGVIBKJYCYETF-CYBMUJFWSA-N 0 3 321.377 2.208 20 5 DEBDHN CC1(C)CC[C@@H](CO)N(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000598649994 359276021 /nfs/dbraw/zinc/27/60/21/359276021.db2.gz WQBMFDYSPBFLAT-ZDUSSCGKSA-N 0 3 308.378 2.457 20 5 DEBDHN O=[N+]([O-])c1ccc(NCCN2CC[C@@H](O)C2)cc1C(F)(F)F ZINC000599176742 359425808 /nfs/dbraw/zinc/42/58/08/359425808.db2.gz VYNQEOJLVBETJY-SNVBAGLBSA-N 0 3 319.283 2.092 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCCN1CC[C@@H](O)C1)CCCC2 ZINC000599085102 359399039 /nfs/dbraw/zinc/39/90/39/359399039.db2.gz MHKCOFQXFLEFHQ-WBVHZDCISA-N 0 3 319.405 2.019 20 5 DEBDHN CCC[C@@H](NCCN1CC[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000599091596 359400704 /nfs/dbraw/zinc/40/07/04/359400704.db2.gz CRZWRKJCTNWFTI-JKSUJKDBSA-N 0 3 307.394 2.092 20 5 DEBDHN Cc1cc(NCCC2CC(O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000432865398 237564871 /nfs/dbraw/zinc/56/48/71/237564871.db2.gz IFGCISNUBNCGHQ-UHFFFAOYSA-N 0 3 301.346 2.446 20 5 DEBDHN CN(CC(=O)NCCc1ccc([N+](=O)[O-])cc1)CC(C)(C)C ZINC000602083217 360258543 /nfs/dbraw/zinc/25/85/43/360258543.db2.gz KZHDEPBFVBKHCZ-UHFFFAOYSA-N 0 3 307.394 2.231 20 5 DEBDHN Cc1c(CNC(=O)CN(C)CC(C)(C)C)cccc1[N+](=O)[O-] ZINC000602148174 360286521 /nfs/dbraw/zinc/28/65/21/360286521.db2.gz NHEZNWFJZCWBAB-UHFFFAOYSA-N 0 3 307.394 2.497 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1CNC[C@@H](OC)C1CCOCC1 ZINC000602549680 360428416 /nfs/dbraw/zinc/42/84/16/360428416.db2.gz JXGNTVZFWWEEEJ-MRXNPFEDSA-N 0 3 324.377 2.135 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)CCOc1ccccc1C ZINC000602758534 360538703 /nfs/dbraw/zinc/53/87/03/360538703.db2.gz LZEXATWGKAIOMH-UHFFFAOYSA-N 0 3 318.377 2.419 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000602797827 360560320 /nfs/dbraw/zinc/56/03/20/360560320.db2.gz MEZLYBKFBIWYRD-CABCVRRESA-N 0 3 322.409 2.238 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)CCOc1cccc(C)c1 ZINC000602766578 360542750 /nfs/dbraw/zinc/54/27/50/360542750.db2.gz NHDOJMNTGXFKCG-UHFFFAOYSA-N 0 3 318.377 2.419 20 5 DEBDHN CC[C@]1(O)CCCN(CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000602982249 360653889 /nfs/dbraw/zinc/65/38/89/360653889.db2.gz PTALYHDMMRKNDG-INIZCTEOSA-N 0 3 324.377 2.219 20 5 DEBDHN O=[N+]([O-])c1cccc2c1ccnc2NC[C@@H]1CSCCN1 ZINC000603418245 360825971 /nfs/dbraw/zinc/82/59/71/360825971.db2.gz FCWUDLDWVBOTTI-SNVBAGLBSA-N 0 3 304.375 2.260 20 5 DEBDHN O=[N+]([O-])c1ccc2[nH]c(CN[C@@H]3Cc4cccc(O)c4C3)nc2c1 ZINC000444708089 238256840 /nfs/dbraw/zinc/25/68/40/238256840.db2.gz OIAZKJZJEBBWQG-LLVKDONJSA-N 0 3 324.340 2.434 20 5 DEBDHN CCC[C@](C)(O)CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000609571481 361321314 /nfs/dbraw/zinc/32/13/14/361321314.db2.gz JONPKOFKVJQISZ-HNNXBMFYSA-N 0 3 310.350 2.007 20 5 DEBDHN CC[C@@H](CN1CCCC1)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000609833869 361342926 /nfs/dbraw/zinc/34/29/26/361342926.db2.gz ZCSGXLKWVSDEKT-AWEZNQCLSA-N 0 3 305.378 2.128 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[C@H](C(=O)OC)C1 ZINC000193504987 201064529 /nfs/dbraw/zinc/06/45/29/201064529.db2.gz VYYRHYDNHCADLY-WCQYABFASA-N 0 3 322.361 2.425 20 5 DEBDHN CN(C)CC1(NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000281476264 216328580 /nfs/dbraw/zinc/32/85/80/216328580.db2.gz WIVBQAOQGZRVEZ-UHFFFAOYSA-N 0 3 310.329 2.340 20 5 DEBDHN C[C@@H]1CN(c2ccsc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000611204572 361548020 /nfs/dbraw/zinc/54/80/20/361548020.db2.gz ZOCPBKSLWVCJIM-CHWSQXEVSA-N 0 3 324.450 2.119 20 5 DEBDHN Cc1ccc([C@H](C)N[C@H](C)[C@H]2CN(C)CCO2)cc1[N+](=O)[O-] ZINC000611336978 361581474 /nfs/dbraw/zinc/58/14/74/361581474.db2.gz YCKQLXVMFGOLFV-WOSRLPQWSA-N 0 3 307.394 2.273 20 5 DEBDHN Cc1ccc(CN[C@@H](C)Cc2ccccc2[N+](=O)[O-])c(=O)n1C ZINC000449286811 240306623 /nfs/dbraw/zinc/30/66/23/240306623.db2.gz INJDHCMCJIWVKL-LBPRGKRZSA-N 0 3 315.373 2.323 20 5 DEBDHN Cc1ccc(CN2CCC[C@@H](Cn3ccnn3)C2)cc1[N+](=O)[O-] ZINC000092070020 193152754 /nfs/dbraw/zinc/15/27/54/193152754.db2.gz AAALGFCYCXZHCQ-OAHLLOKOSA-N 0 3 315.377 2.407 20 5 DEBDHN O=C1NCCCC[C@H]1N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545470 243096830 /nfs/dbraw/zinc/09/68/30/243096830.db2.gz HMOQYBVIJBSECU-GDBMZVCRSA-N 0 3 317.389 2.443 20 5 DEBDHN CC[C@@H]1CCCCN1CCNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000264892024 204244067 /nfs/dbraw/zinc/24/40/67/204244067.db2.gz FHDQFXSDDMUAOU-CYBMUJFWSA-N 0 3 320.393 2.171 20 5 DEBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN(C[C@H]2CCOC2)CC1 ZINC000267380220 206026203 /nfs/dbraw/zinc/02/62/03/206026203.db2.gz GGBHYIBLMJBRGX-LSDHHAIUSA-N 0 3 319.405 2.310 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H](C)CN1CCOCC1 ZINC000156782802 291623649 /nfs/dbraw/zinc/62/36/49/291623649.db2.gz SPKDNPSCQCNGQW-ZIAGYGMSSA-N 0 3 307.394 2.275 20 5 DEBDHN CN(C)C/C=C/C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000492274645 249029552 /nfs/dbraw/zinc/02/95/52/249029552.db2.gz KBPWKLJHQZADRP-BWPKMQGJSA-N 0 3 321.402 2.287 20 5 DEBDHN CN1CC=C(CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000271915920 209320390 /nfs/dbraw/zinc/32/03/90/209320390.db2.gz JKDFBQFLPJGMRI-UHFFFAOYSA-N 0 3 309.753 2.240 20 5 DEBDHN CNC(=O)c1ccc(N[C@@H](C)C2=CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000272997763 210378814 /nfs/dbraw/zinc/37/88/14/210378814.db2.gz QVGYWMJTAVADNJ-NSHDSACASA-N 0 3 318.377 2.017 20 5 DEBDHN O=[N+]([O-])c1ccc(NC[C@H]2CNCCO2)c(C(F)(F)F)c1 ZINC000157403100 197184448 /nfs/dbraw/zinc/18/44/48/197184448.db2.gz PCOIXBWFDBLMCN-SECBINFHSA-N 0 3 305.256 2.014 20 5 DEBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000157066569 197158949 /nfs/dbraw/zinc/15/89/49/197158949.db2.gz ZSANCRJDKRDTHS-ZBFHGGJFSA-N 0 3 317.389 2.080 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000444935436 533141074 /nfs/dbraw/zinc/14/10/74/533141074.db2.gz FCVXRSYBYKZUQE-ZYHUDNBSSA-N 0 3 322.365 2.208 20 5 DEBDHN CC1(C)C[C@@H](NCC(=O)Nc2ccccc2[N+](=O)[O-])C(C)(C)O1 ZINC000155117798 197023503 /nfs/dbraw/zinc/02/35/03/197023503.db2.gz RLMBHDHKTYSJCZ-CYBMUJFWSA-N 0 3 321.377 2.469 20 5 DEBDHN COC[C@@H](NCC(=O)Nc1c(C)cccc1[N+](=O)[O-])C(C)C ZINC000542525527 285231694 /nfs/dbraw/zinc/23/16/94/285231694.db2.gz KHUVUPPERYWLHR-GFCCVEGCSA-N 0 3 309.366 2.102 20 5 DEBDHN COCCN(CCN(C)C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000289502138 221023392 /nfs/dbraw/zinc/02/33/92/221023392.db2.gz TUQSFEDRRHGURS-UHFFFAOYSA-N 0 3 315.801 2.258 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CNC1(C2CC2)CC1 ZINC000544414185 285348062 /nfs/dbraw/zinc/34/80/62/285348062.db2.gz UFBYKWHMOYZEHM-UHFFFAOYSA-N 0 3 305.334 2.074 20 5 DEBDHN C[C@@H](C(=O)N[C@H]1CCN(C2CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000331371081 533307688 /nfs/dbraw/zinc/30/76/88/533307688.db2.gz DOJYQRTUZFHRFS-MNOVXSKESA-N 0 3 321.352 2.190 20 5 DEBDHN COC(=O)COc1ccc(CN2CC[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000355733513 133044492 /nfs/dbraw/zinc/04/44/92/133044492.db2.gz LKKSXTHXIYQGFO-NWDGAFQWSA-N 0 3 322.361 2.377 20 5 DEBDHN O=C1CC[C@@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])C2(CCC2)N1 ZINC000563418399 292055723 /nfs/dbraw/zinc/05/57/23/292055723.db2.gz OYUVFMJOHRGXJJ-UKRRQHHQSA-N 0 3 315.373 2.373 20 5 DEBDHN COc1ccc(NC(=O)CC2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000291689685 404480348 /nfs/dbraw/zinc/48/03/48/404480348.db2.gz NUVXILGQDJNNQU-UHFFFAOYSA-N 0 3 307.350 2.274 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](CCO)C(C)(C)C ZINC000355018491 146820623 /nfs/dbraw/zinc/82/06/23/146820623.db2.gz XHCIKYGNEJWFTA-ZDUSSCGKSA-N 0 3 323.393 2.228 20 5 DEBDHN CC[C@@H](NCCN1CCO[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000247069203 145125941 /nfs/dbraw/zinc/12/59/41/145125941.db2.gz QBHRVTIBXQTNBI-XJKSGUPXSA-N 0 3 307.394 2.356 20 5 DEBDHN CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1NCCc2ccccc21 ZINC000261834815 145232220 /nfs/dbraw/zinc/23/22/20/145232220.db2.gz IHHQOUPVNZCERZ-AWEZNQCLSA-N 0 3 315.377 2.419 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](C)C1CCOCC1 ZINC000341991891 145538157 /nfs/dbraw/zinc/53/81/57/145538157.db2.gz HJAICJJGUVNFMS-LBPRGKRZSA-N 0 3 321.377 2.246 20 5 DEBDHN C[C@@H]1C[C@H]1N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000346158915 146027323 /nfs/dbraw/zinc/02/73/23/146027323.db2.gz CRUYXYBRUXJBMT-WOSRLPQWSA-N 0 3 317.389 2.397 20 5 DEBDHN C[C@H]1C[C@H]1N1CCN(C(=O)c2csc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000346165071 146028766 /nfs/dbraw/zinc/02/87/66/146028766.db2.gz DRTMVBCWGGBYPS-GMXVVIOVSA-N 0 3 323.418 2.459 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCCN([C@H](C)CO)CC1 ZINC000346639186 146115476 /nfs/dbraw/zinc/11/54/76/146115476.db2.gz JPGVTDFTQCDVFR-CABCVRRESA-N 0 3 321.421 2.353 20 5 DEBDHN Cc1ccc([C@H](C)N[C@@H](CO)C2CCOCC2)cc1[N+](=O)[O-] ZINC000360816491 147389252 /nfs/dbraw/zinc/38/92/52/147389252.db2.gz NXVWXHAVAWFOEA-WFASDCNBSA-N 0 3 308.378 2.341 20 5 DEBDHN O=C(N[C@H]1CCN(C2CCCC2)C1)c1ccc([N+](=O)[O-])s1 ZINC000371598733 148121708 /nfs/dbraw/zinc/12/17/08/148121708.db2.gz YAGGBJRBPWIXIR-JTQLQIEISA-N 0 3 309.391 2.403 20 5 DEBDHN CO[C@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000076348038 401792679 /nfs/dbraw/zinc/79/26/79/401792679.db2.gz MMYMPDGTXQAYQC-AWEZNQCLSA-N 0 3 321.377 2.343 20 5 DEBDHN C[C@@H]1CCCCN1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000131503979 401851682 /nfs/dbraw/zinc/85/16/82/401851682.db2.gz KLZHDVOJMFIYOJ-GFCCVEGCSA-N 0 3 323.368 2.267 20 5 DEBDHN CN(C)[C@@H]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000134777199 401913883 /nfs/dbraw/zinc/91/38/83/401913883.db2.gz CXJCHJYVXPHLCZ-GFCCVEGCSA-N 0 3 311.769 2.414 20 5 DEBDHN CN1CCC[C@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000134884146 401918395 /nfs/dbraw/zinc/91/83/95/401918395.db2.gz ARQUNBZGBMMAGS-SNVBAGLBSA-N 0 3 311.769 2.320 20 5 DEBDHN Cc1cc(C(=O)N2CCC[C@H]3CN(C)CC[C@H]32)cc([N+](=O)[O-])c1 ZINC000119344509 401942724 /nfs/dbraw/zinc/94/27/24/401942724.db2.gz CXKFRQAPUHIDLS-XJKSGUPXSA-N 0 3 317.389 2.460 20 5 DEBDHN CC[C@@H](N[C@@H](C)CN1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000121386387 402032896 /nfs/dbraw/zinc/03/28/96/402032896.db2.gz OVJIDLHIZKBHEJ-XJKSGUPXSA-N 0 3 307.394 2.356 20 5 DEBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@]1(F)CCNC1 ZINC000152878153 402114388 /nfs/dbraw/zinc/11/43/88/402114388.db2.gz QSZDZAZOBGJRKC-HNNXBMFYSA-N 0 3 309.341 2.033 20 5 DEBDHN CN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(C)C1 ZINC000153904883 402178984 /nfs/dbraw/zinc/17/89/84/402178984.db2.gz FDTOSXIFXDAYCC-XVJNWHFHSA-N 0 3 303.362 2.161 20 5 DEBDHN COC(=O)[C@H](C)CN(C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000153933109 402180935 /nfs/dbraw/zinc/18/09/35/402180935.db2.gz QQCGILLPVFWFKK-SECBINFHSA-N 0 3 300.742 2.489 20 5 DEBDHN C[C@H](C(=O)NCCN1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000184793464 402300216 /nfs/dbraw/zinc/30/02/16/402300216.db2.gz NWIDMNZKVPLWJQ-NSHDSACASA-N 0 3 309.341 2.049 20 5 DEBDHN Cc1ccc(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000177079549 402367726 /nfs/dbraw/zinc/36/77/26/402367726.db2.gz JXENZFYOOSKUGR-DGCLKSJQSA-N 0 3 303.362 2.258 20 5 DEBDHN CC[C@H]1CCCCN1CCNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000176682561 402328094 /nfs/dbraw/zinc/32/80/94/402328094.db2.gz NWHIYICWAZGWIY-LBPRGKRZSA-N 0 3 320.393 2.171 20 5 DEBDHN C[C@@H](CN(C)C)Nc1ncc([N+](=O)[O-])cc1Br ZINC000169030258 402500309 /nfs/dbraw/zinc/50/03/09/402500309.db2.gz HQTCLICOGLUDBD-ZETCQYMHSA-N 0 3 303.160 2.114 20 5 DEBDHN CC(C)N(CCN(C)C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000178735802 402532611 /nfs/dbraw/zinc/53/26/11/402532611.db2.gz FGAVWFZHCZRKPU-UHFFFAOYSA-N 0 3 308.382 2.076 20 5 DEBDHN CC[C@H](C)[C@@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182222065 402673917 /nfs/dbraw/zinc/67/39/17/402673917.db2.gz ZOSOOKWKDZOZQD-NWDGAFQWSA-N 0 3 314.407 2.393 20 5 DEBDHN C[C@@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000182391562 402686038 /nfs/dbraw/zinc/68/60/38/402686038.db2.gz RVSBZTJAVDAMBC-OCCSQVGLSA-N 0 3 317.345 2.080 20 5 DEBDHN CN(C(=O)/C=C\c1ccccc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000255771251 402695802 /nfs/dbraw/zinc/69/58/02/402695802.db2.gz MCDHCAULWVYQAT-FPLPWBNLSA-N 0 3 303.362 2.161 20 5 DEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183610794 402781064 /nfs/dbraw/zinc/78/10/64/402781064.db2.gz JLOGBBACTAIFIE-NEPJUHHUSA-N 0 3 319.365 2.080 20 5 DEBDHN C[C@@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)N(C)C1CC1 ZINC000263961606 402825153 /nfs/dbraw/zinc/82/51/53/402825153.db2.gz XNOKLQBNCJNWSU-JTQLQIEISA-N 0 3 316.361 2.289 20 5 DEBDHN CN(C[C@@H]1CCCN(C)C1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000265260186 402905290 /nfs/dbraw/zinc/90/52/90/402905290.db2.gz YGJYWUOLCDEDEQ-LLVKDONJSA-N 0 3 308.338 2.281 20 5 DEBDHN COC[C@@H](O)CCN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279113749 402905525 /nfs/dbraw/zinc/90/55/25/402905525.db2.gz PKJCLOUQNBTUFO-WFASDCNBSA-N 0 3 308.378 2.304 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1N1CCN(CC2CCOCC2)CC1 ZINC000267039818 403010644 /nfs/dbraw/zinc/01/06/44/403010644.db2.gz MIIXMEAQAKVXSJ-UHFFFAOYSA-N 0 3 319.405 2.452 20 5 DEBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273515319 403011244 /nfs/dbraw/zinc/01/12/44/403011244.db2.gz XQEFJQAWQUTLRM-OTYXRUKQSA-N 0 3 322.340 2.338 20 5 DEBDHN O=[N+]([O-])c1cnc(NC[C@H]2CCCN2Cc2ccccc2)nc1 ZINC000273613751 403020146 /nfs/dbraw/zinc/02/01/46/403020146.db2.gz MRMGFYLKPQBSJP-CQSZACIVSA-N 0 3 313.361 2.461 20 5 DEBDHN Cc1cc(C(=O)NC[C@@]2(N(C)C)CCSC2)ccc1[N+](=O)[O-] ZINC000267163021 403021061 /nfs/dbraw/zinc/02/10/61/403021061.db2.gz ZEJPQZLVIONDTH-HNNXBMFYSA-N 0 3 323.418 2.070 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000267165776 403021549 /nfs/dbraw/zinc/02/15/49/403021549.db2.gz ZUSXQYLXSQQLKI-OAHLLOKOSA-N 0 3 323.418 2.070 20 5 DEBDHN O=[N+]([O-])c1ccccc1OCCN[C@@H](CO)c1ccc(F)cc1 ZINC000273093819 402970460 /nfs/dbraw/zinc/97/04/60/402970460.db2.gz KCNAMDPVGZQLLV-AWEZNQCLSA-N 0 3 320.320 2.436 20 5 DEBDHN C[S@@](=O)C1(CNC/C=C/c2ccccc2[N+](=O)[O-])CCC1 ZINC000280768978 403034843 /nfs/dbraw/zinc/03/48/43/403034843.db2.gz ZMDGKQLLJGCEGH-HXRGIAOBSA-N 0 3 308.403 2.499 20 5 DEBDHN C[C@H]1C[C@H](Nc2c([N+](=O)[O-])ncn2C)CN1Cc1ccccc1 ZINC000268152319 403054741 /nfs/dbraw/zinc/05/47/41/403054741.db2.gz MXZYFOYZQVBNDD-JSGCOSHPSA-N 0 3 315.377 2.403 20 5 DEBDHN CN(C)C[C@@H]1CCCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000268174282 403057915 /nfs/dbraw/zinc/05/79/15/403057915.db2.gz QFGKFYSDKXVZBA-LBPRGKRZSA-N 0 3 316.361 2.242 20 5 DEBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000268221347 403063274 /nfs/dbraw/zinc/06/32/74/403063274.db2.gz QIEOOBOUTXQRJX-XFSMAHNFSA-N 0 3 315.373 2.207 20 5 DEBDHN Cc1nc([C@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3)C2)n[nH]1 ZINC000268481328 403086948 /nfs/dbraw/zinc/08/69/48/403086948.db2.gz OAKYUHDGFBSXRE-ZDUSSCGKSA-N 0 3 301.350 2.401 20 5 DEBDHN Cc1n[nH]c([C@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000268481328 403086949 /nfs/dbraw/zinc/08/69/49/403086949.db2.gz OAKYUHDGFBSXRE-ZDUSSCGKSA-N 0 3 301.350 2.401 20 5 DEBDHN Cc1nnc([C@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000268481328 403086950 /nfs/dbraw/zinc/08/69/50/403086950.db2.gz OAKYUHDGFBSXRE-ZDUSSCGKSA-N 0 3 301.350 2.401 20 5 DEBDHN O=C(NC[C@H]1CCCCN1C1CC1)c1ccccc1[N+](=O)[O-] ZINC000277609084 403236489 /nfs/dbraw/zinc/23/64/89/403236489.db2.gz VCAUNWOYCMDPST-CYBMUJFWSA-N 0 3 303.362 2.342 20 5 DEBDHN O=[N+]([O-])c1cccc(CNC2CCN(c3cccnn3)CC2)c1 ZINC000277638968 403239881 /nfs/dbraw/zinc/23/98/81/403239881.db2.gz LRCUNRHNBZIAEX-UHFFFAOYSA-N 0 3 313.361 2.143 20 5 DEBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1ccccc1[N+](=O)[O-] ZINC000271064013 403259964 /nfs/dbraw/zinc/25/99/64/403259964.db2.gz WNIWYIADNIQYAE-GFCCVEGCSA-N 0 3 305.378 2.397 20 5 DEBDHN C[C@@H](NCC1([S@@](C)=O)CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284983161 403276398 /nfs/dbraw/zinc/27/63/98/403276398.db2.gz GEKTZSXIDZUNAY-LADRHHBVSA-N 0 3 311.407 2.129 20 5 DEBDHN CN1CC[C@@](O)(CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000342833146 403365703 /nfs/dbraw/zinc/36/57/03/403365703.db2.gz XTQDAPGLAODZFW-GFCCVEGCSA-N 0 3 320.176 2.380 20 5 DEBDHN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CCN(C2CCC2)C1 ZINC000292305311 403349729 /nfs/dbraw/zinc/34/97/29/403349729.db2.gz IFRJQSYJRBXAMZ-NSHDSACASA-N 0 3 307.350 2.134 20 5 DEBDHN C[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)N(C)C ZINC000298304210 403353947 /nfs/dbraw/zinc/35/39/47/403353947.db2.gz CYMGDADLEDAFIE-SECBINFHSA-N 0 3 307.375 2.489 20 5 DEBDHN COc1cc(N2CC[C@@]3(CCN(C)C3)C2)c(F)cc1[N+](=O)[O-] ZINC000292251671 403334554 /nfs/dbraw/zinc/33/45/54/403334554.db2.gz KEBOVVZFKRZPHJ-OAHLLOKOSA-N 0 3 309.341 2.275 20 5 DEBDHN Cc1c(CN2C[C@@H](N3CCOCC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000286024257 403433173 /nfs/dbraw/zinc/43/31/73/403433173.db2.gz QBIRKGPGFBJNJF-BBRMVZONSA-N 0 3 319.405 2.198 20 5 DEBDHN O=[N+]([O-])c1ccccc1CN[C@@H](C1CC1)[C@]1(CO)CCCO1 ZINC000339764942 403442187 /nfs/dbraw/zinc/44/21/87/403442187.db2.gz VJZKVQMYWOXWBD-JKSUJKDBSA-N 0 3 306.362 2.005 20 5 DEBDHN CN1CC[C@@H]2CCN(c3ncnc4sc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000286101780 403449754 /nfs/dbraw/zinc/44/97/54/403449754.db2.gz CYVJVFZOKYQNLN-MWLCHTKSSA-N 0 3 319.390 2.130 20 5 DEBDHN Cc1c(NC(=O)CCN2CCCC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000299214405 403548368 /nfs/dbraw/zinc/54/83/68/403548368.db2.gz GDVKNMKUZWRYTH-ZDUSSCGKSA-N 0 3 321.377 2.079 20 5 DEBDHN CCCN1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000343573685 403646442 /nfs/dbraw/zinc/64/64/42/403646442.db2.gz QEODHBURHMADMU-ZDUSSCGKSA-N 0 3 321.377 2.208 20 5 DEBDHN CN(CCN1CCCC1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347269692 403644341 /nfs/dbraw/zinc/64/43/41/403644341.db2.gz RNLRRGBASAOSMD-UHFFFAOYSA-N 0 3 310.329 2.293 20 5 DEBDHN CNC(=O)[C@H]1CCCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000347369491 403683104 /nfs/dbraw/zinc/68/31/04/403683104.db2.gz OFGALTJNXPGPDG-CTXBLAANSA-N 0 3 317.389 2.456 20 5 DEBDHN C[C@@H]1CN(C2CC2)C[C@H]1Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000287932363 403694531 /nfs/dbraw/zinc/69/45/31/403694531.db2.gz QZELPTHOEOMDPB-LDYMZIIASA-N 0 3 319.390 2.494 20 5 DEBDHN Nc1ccc(N[C@H]2CCN(Cc3ccccc3)C2)nc1[N+](=O)[O-] ZINC000309767818 403963024 /nfs/dbraw/zinc/96/30/24/403963024.db2.gz GUFGBXFYERZPBQ-ZDUSSCGKSA-N 0 3 313.361 2.258 20 5 DEBDHN C[C@@H](C(=O)N1CCN(C)CC[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000347952627 403974764 /nfs/dbraw/zinc/97/47/64/403974764.db2.gz YMIWTUAGFRBKBE-VXGBXAGGSA-N 0 3 323.368 2.390 20 5 DEBDHN Cc1nnc([C@@H]2CCN(Cc3ccc([N+](=O)[O-])cc3F)C2)[nH]1 ZINC000412049910 404088951 /nfs/dbraw/zinc/08/89/51/404088951.db2.gz ZBPSSTONQAJONM-LLVKDONJSA-N 0 3 305.313 2.150 20 5 DEBDHN C[C@@H]1CCN(C)CCN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000351980250 404054524 /nfs/dbraw/zinc/05/45/24/404054524.db2.gz BDJROSGZFUHYTQ-CYBMUJFWSA-N 0 3 319.405 2.425 20 5 DEBDHN CC1(C)CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]1C1CC1 ZINC000290785708 404312082 /nfs/dbraw/zinc/31/20/82/404312082.db2.gz NPYRDVBHRUUPJN-GOEBONIOSA-N 0 3 320.389 2.455 20 5 DEBDHN CC[C@H](C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)N(C)C ZINC000413649520 404434496 /nfs/dbraw/zinc/43/44/96/404434496.db2.gz DZKTURROIVIHTL-CQSZACIVSA-N 0 3 305.378 2.426 20 5 DEBDHN Cc1c([C@H](C)N[C@@H]2CCCN(CCCO)C2)cccc1[N+](=O)[O-] ZINC000297267863 404526230 /nfs/dbraw/zinc/52/62/30/404526230.db2.gz KMIWPXHHLKZCDZ-LSDHHAIUSA-N 0 3 321.421 2.401 20 5 DEBDHN O=[N+]([O-])c1ccc2[nH]c(CN[C@H](CO)C3CCCC3)nc2c1 ZINC000352708487 404564707 /nfs/dbraw/zinc/56/47/07/404564707.db2.gz WRXPSWTZFWATNC-CQSZACIVSA-N 0 3 304.350 2.112 20 5 DEBDHN CN(CCN(C)C1CC1)c1ncnc2cccc([N+](=O)[O-])c21 ZINC000351541121 404634602 /nfs/dbraw/zinc/63/46/02/404634602.db2.gz CQEYINPCUXWRIP-UHFFFAOYSA-N 0 3 301.350 2.068 20 5 DEBDHN C[C@@H]1CN(C)[C@@H](C)CN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000330572776 404690940 /nfs/dbraw/zinc/69/09/40/404690940.db2.gz DQWDODYGRDQBNB-WDEREUQCSA-N 0 3 306.366 2.003 20 5 DEBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000330538244 404683075 /nfs/dbraw/zinc/68/30/75/404683075.db2.gz GFWNMDKEMZRUTM-LBPRGKRZSA-N 0 3 320.393 2.101 20 5 DEBDHN CCN1C[C@@H](C)N(CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000330580521 404693030 /nfs/dbraw/zinc/69/30/30/404693030.db2.gz QEMSBFGSKZDEED-UONOGXRCSA-N 0 3 307.394 2.388 20 5 DEBDHN C[C@H]1[C@@H](Nc2ncc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000377335157 404836709 /nfs/dbraw/zinc/83/67/09/404836709.db2.gz FVOXKZCAPARPGS-WFASDCNBSA-N 0 3 313.361 2.460 20 5 DEBDHN C[C@H]1CN(C)C[C@H]1c1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000361007972 404876581 /nfs/dbraw/zinc/87/65/81/404876581.db2.gz CMSZMVZUTXXOBA-CMPLNLGQSA-N 0 3 302.334 2.234 20 5 DEBDHN COc1ccc(CN2CC[C@@H]([C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000354101822 405045095 /nfs/dbraw/zinc/04/50/95/405045095.db2.gz WPTRMDSCFRGAGD-ZIAGYGMSSA-N 0 3 306.362 2.462 20 5 DEBDHN COc1c(C(=O)N[C@@H](C)CN2CCCCC2)cccc1[N+](=O)[O-] ZINC000354408285 405199654 /nfs/dbraw/zinc/19/96/54/405199654.db2.gz VGXSTGZAOCPFSH-LBPRGKRZSA-N 0 3 321.377 2.208 20 5 DEBDHN Cc1cc(C(=O)N2CCC[C@H]3CN(C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000425053607 405237441 /nfs/dbraw/zinc/23/74/41/405237441.db2.gz YIPQKRYGDDKXNF-DZGCQCFKSA-N 0 3 303.362 2.069 20 5 DEBDHN COc1cc(CN(C)C[C@H]2CCCN2C)c([N+](=O)[O-])cc1F ZINC000421001322 405425602 /nfs/dbraw/zinc/42/56/02/405425602.db2.gz LBZCWDFSHNACKJ-GFCCVEGCSA-N 0 3 311.357 2.269 20 5 DEBDHN COc1cc(CNCCCC2(O)CCC2)c([N+](=O)[O-])cc1OC ZINC000421364970 405475389 /nfs/dbraw/zinc/47/53/89/405475389.db2.gz AEXOZJCFNCEBBV-UHFFFAOYSA-N 0 3 324.377 2.397 20 5 DEBDHN C[C@@H]1CCN(CCNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000578044041 405563136 /nfs/dbraw/zinc/56/31/36/405563136.db2.gz CXSZKSTZUQNGEZ-UHOFOFEASA-N 0 3 317.389 2.156 20 5 DEBDHN CN(C[C@@H]1CCCN1C)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000493836533 405583313 /nfs/dbraw/zinc/58/33/13/405583313.db2.gz MVGXDIMJLRKBOZ-CDNLZTBQSA-N 0 3 303.362 2.161 20 5 DEBDHN CN(C[C@H]1CCCN1C)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000421709226 405603177 /nfs/dbraw/zinc/60/31/77/405603177.db2.gz DFCGBCMHYYCJON-OWCLPIDISA-N 0 3 317.389 2.251 20 5 DEBDHN C[C@H](C(=O)N1CC[C@@]2(CCN(C)C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000558034445 405640095 /nfs/dbraw/zinc/64/00/95/405640095.db2.gz YEBGYIMQYZTBOD-SUMWQHHRSA-N 0 3 317.389 2.253 20 5 DEBDHN Cc1cc(C(=O)N(C)[C@H]2CCN(C(C)C)C2)ccc1[N+](=O)[O-] ZINC000457079484 405683178 /nfs/dbraw/zinc/68/31/78/405683178.db2.gz FMCDCTZSHHXYOW-AWEZNQCLSA-N 0 3 305.378 2.458 20 5 DEBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNCCC2CC(O)C2)c1 ZINC000432369794 405755722 /nfs/dbraw/zinc/75/57/22/405755722.db2.gz XECZSWFURINIED-UHFFFAOYSA-N 0 3 316.304 2.447 20 5 DEBDHN CN(C)CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000433196505 405895185 /nfs/dbraw/zinc/89/51/85/405895185.db2.gz KGVCDYHWSAHQGL-UHFFFAOYSA-N 0 3 310.329 2.292 20 5 DEBDHN C[C@H](CCCc1cccnc1)NCc1c([N+](=O)[O-])ncn1C ZINC000459642635 405994846 /nfs/dbraw/zinc/99/48/46/405994846.db2.gz NHHRXGSILYFQNX-GFCCVEGCSA-N 0 3 303.366 2.224 20 5 DEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000459780854 406042184 /nfs/dbraw/zinc/04/21/84/406042184.db2.gz NMSYRJQHPTUTJH-BYCMXARLSA-N 0 3 324.402 2.147 20 5 DEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCc1ccsc1 ZINC000519732979 406243372 /nfs/dbraw/zinc/24/33/72/406243372.db2.gz XPCBSQQHMSNPPH-GFCCVEGCSA-N 0 3 308.359 2.186 20 5 DEBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000488762047 406346322 /nfs/dbraw/zinc/34/63/22/406346322.db2.gz ONPULYPXVSWBQH-MBNYWOFBSA-N 0 3 321.425 2.286 20 5 DEBDHN C[C@H]1[C@@H](Nc2c3ccccc3ncc2[N+](=O)[O-])CCCN1C ZINC000488130586 406296865 /nfs/dbraw/zinc/29/68/65/406296865.db2.gz SSBWJYGSBCNVEA-AAEUAGOBSA-N 0 3 300.362 2.460 20 5 DEBDHN COCCN(CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCO[C@H]1C ZINC000489478951 406411470 /nfs/dbraw/zinc/41/14/70/406411470.db2.gz XQOUHOMNGQWOAA-XJKSGUPXSA-N 0 3 324.377 2.099 20 5 DEBDHN CCN(C[C@H]1CCCN1CC)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000548453607 406517908 /nfs/dbraw/zinc/51/79/08/406517908.db2.gz WQXVAFHIYWBPRB-OAHLLOKOSA-N 0 3 319.405 2.470 20 5 DEBDHN CN(C)[C@@H]1CCCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000491466796 406599633 /nfs/dbraw/zinc/59/96/33/406599633.db2.gz YYPZQZGKOYAUMM-CFYYFVFUSA-N 0 3 303.362 2.161 20 5 DEBDHN CCOc1cc(CN2C[C@@H]3CC[C@@H](O)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000491611952 406631461 /nfs/dbraw/zinc/63/14/61/406631461.db2.gz FFZKXGBERQODEN-KCQAQPDRSA-N 0 3 306.362 2.196 20 5 DEBDHN CN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCN(C2CC2)C1 ZINC000491685286 406669642 /nfs/dbraw/zinc/66/96/42/406669642.db2.gz KTFAHAYOVSVWKZ-RZIFZGNASA-N 0 3 315.373 2.303 20 5 DEBDHN C[C@H](CO[C@@H]1CCOC1)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572541963 406689996 /nfs/dbraw/zinc/68/99/96/406689996.db2.gz OYWMVIFETPKQNA-LALPHHSUSA-N 0 3 306.362 2.366 20 5 DEBDHN C[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)N1[C@H](C)CC[C@H]1C ZINC000130569658 196091151 /nfs/dbraw/zinc/09/11/51/196091151.db2.gz VMRMHBZOWLMVOG-UPJWGTAASA-N 0 3 305.378 2.472 20 5 DEBDHN C[C@H](CO)N(C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000132165964 196232239 /nfs/dbraw/zinc/23/22/39/196232239.db2.gz BXTHGNWNJSKHPQ-LLVKDONJSA-N 0 3 305.334 2.105 20 5 DEBDHN CC1CCN(CCNC(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000132870870 196291503 /nfs/dbraw/zinc/29/15/03/196291503.db2.gz VDZBAZKHUKDBJT-UHFFFAOYSA-N 0 3 309.341 2.196 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@@H]1COCCO1)CCCC2 ZINC000417334863 229010763 /nfs/dbraw/zinc/01/07/63/229010763.db2.gz FXZSNYACGGVQPZ-ZBFHGGJFSA-N 0 3 306.362 2.367 20 5 DEBDHN Cc1c(CN2CC[C@H](CN3CCOC3=O)C2)cccc1[N+](=O)[O-] ZINC000496759983 269249396 /nfs/dbraw/zinc/24/93/96/269249396.db2.gz PWXDKXMRYLVRSL-ZDUSSCGKSA-N 0 3 319.361 2.177 20 5 DEBDHN CN(C)C[C@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000492978151 273801662 /nfs/dbraw/zinc/80/16/62/273801662.db2.gz WHPRUKLMJQZSNN-NSHDSACASA-N 0 3 313.785 2.011 20 5 DEBDHN Cc1cc(N2CCN[C@H](C)C2)c(Br)cc1[N+](=O)[O-] ZINC000235389353 274708864 /nfs/dbraw/zinc/70/88/64/274708864.db2.gz VTHJFLCIIROPNE-SECBINFHSA-N 0 3 314.183 2.464 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@@H](O)[C@H]1CCOC1)CCCC2 ZINC000417314667 275038311 /nfs/dbraw/zinc/03/83/11/275038311.db2.gz ZNYHWPIGZOANST-IAOVAPTHSA-N 0 3 320.389 2.349 20 5 DEBDHN CCC[C@@H]1CN(c2ccc(N)cc2[N+](=O)[O-])CCN1CCOC ZINC000286083178 276031609 /nfs/dbraw/zinc/03/16/09/276031609.db2.gz BSNJJVIABIMCNQ-CQSZACIVSA-N 0 3 322.409 2.114 20 5 DEBDHN CN1CCC[C@@]2(CCN(c3ccc([N+](=O)[O-])c(N)c3F)C2)C1 ZINC000292782230 277072565 /nfs/dbraw/zinc/07/25/65/277072565.db2.gz LUTFMKRAFBTNEC-OAHLLOKOSA-N 0 3 308.357 2.238 20 5 DEBDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)c1cc(F)ccc1[N+](=O)[O-])C2 ZINC000073987634 277214934 /nfs/dbraw/zinc/21/49/34/277214934.db2.gz QHLFVFRSHZRMCX-NWDGAFQWSA-N 0 3 307.325 2.043 20 5 DEBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@]1(F)CCNC1 ZINC000152878226 277572506 /nfs/dbraw/zinc/57/25/06/277572506.db2.gz QSZDZAZOBGJRKC-OAHLLOKOSA-N 0 3 309.341 2.033 20 5 DEBDHN C[C@@H](NCCC(C)(C)S(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000414248871 278343015 /nfs/dbraw/zinc/34/30/15/278343015.db2.gz GAPRSWIMKLMOBI-LLVKDONJSA-N 0 3 314.407 2.459 20 5 DEBDHN C[C@H](CN(C)C)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000346162644 279279476 /nfs/dbraw/zinc/27/94/76/279279476.db2.gz OLDXWMZWGHIQDD-MRVPVSSYSA-N 0 3 319.283 2.294 20 5 DEBDHN CCNC(=O)[C@H](C)N[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000268732230 279493284 /nfs/dbraw/zinc/49/32/84/279493284.db2.gz OMYBVWBDIZXTSD-SMDDNHRTSA-N 0 3 305.378 2.030 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)CN(CCN1CCCCC1)CCO2 ZINC000352679094 280370044 /nfs/dbraw/zinc/37/00/44/280370044.db2.gz PHHIBKCWQRVTHZ-UHFFFAOYSA-N 0 3 305.378 2.275 20 5 DEBDHN CNC(=O)C1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182620900 290358931 /nfs/dbraw/zinc/35/89/31/290358931.db2.gz IAPREKDKNYMWMT-LBPRGKRZSA-N 0 3 305.378 2.422 20 5 DEBDHN Cc1ccc(CN[C@H](C2CC2)[C@]2(CO)CCCO2)cc1[N+](=O)[O-] ZINC000354717265 301588798 /nfs/dbraw/zinc/58/87/98/301588798.db2.gz ARGPQMDEXWPHHN-IAGOWNOFSA-N 0 3 320.389 2.313 20 5 DEBDHN O=C1NCC[C@H]1CCN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000573931501 326106421 /nfs/dbraw/zinc/10/64/21/326106421.db2.gz WVLZEDFETAILOX-LBPRGKRZSA-N 0 3 303.362 2.085 20 5 DEBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCCn1cnnc1C1CC1 ZINC000574927169 326202376 /nfs/dbraw/zinc/20/23/76/326202376.db2.gz ZFOYDLJIJPXZAU-CQSZACIVSA-N 0 3 313.361 2.341 20 5 DEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H]2CCCC[C@H]2F)c1 ZINC000575797097 326246186 /nfs/dbraw/zinc/24/61/86/326246186.db2.gz NNGYXPXVXWPTIB-BPLDGKMQSA-N 0 3 312.341 2.205 20 5 DEBDHN COc1cc(CNC[C@H](C)CCCO)c([N+](=O)[O-])cc1OC ZINC000294875482 533882339 /nfs/dbraw/zinc/88/23/39/533882339.db2.gz VDSKDQUBWIKBSR-LLVKDONJSA-N 0 3 312.366 2.110 20 5 DEBDHN NC(=O)c1ccc(CN2CCC[C@@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000245439843 527046747 /nfs/dbraw/zinc/04/67/47/527046747.db2.gz GBKJSJPTAONRIB-SMDDNHRTSA-N 0 3 303.362 2.458 20 5 DEBDHN CC(C)[C@]1(CO)CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000292985047 527991549 /nfs/dbraw/zinc/99/15/49/527991549.db2.gz HQUPKCNLKFYBRA-IAGOWNOFSA-N 0 3 322.405 2.359 20 5 DEBDHN CCOc1ccc([C@@H](C)NCC2(CC(N)=O)CC2)cc1[N+](=O)[O-] ZINC000421858855 528593175 /nfs/dbraw/zinc/59/31/75/528593175.db2.gz QBJVYUIXIABZQF-LLVKDONJSA-N 0 3 321.377 2.300 20 5 DEBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000246633806 536472322 /nfs/dbraw/zinc/47/23/22/536472322.db2.gz KMPVUURIRVLTMO-DZGCQCFKSA-N 0 3 303.362 2.151 20 5 DEBDHN Cc1nn(CN(C)C[C@@H]2CCOC2)c2cc([N+](=O)[O-])ccc12 ZINC000121243691 622567814 /nfs/dbraw/zinc/56/78/14/622567814.db2.gz ZATIPTGDDJFEOG-LBPRGKRZSA-N 0 3 304.350 2.179 20 5 DEBDHN C[C@H](C(=O)N[C@]1(C)CN2CCC1CC2)c1cccc([N+](=O)[O-])c1 ZINC000892775276 625581605 /nfs/dbraw/zinc/58/16/05/625581605.db2.gz ZBUKUKRBOQUWHK-YVEFUNNKSA-N 0 3 317.389 2.299 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@]1(C)CN2CCC1CC2 ZINC000892783955 625600914 /nfs/dbraw/zinc/60/09/14/625600914.db2.gz FYGDIIBDABWCAO-INIZCTEOSA-N 0 3 303.362 2.117 20 5 DEBDHN COc1c(O)ccc(CNCCc2cscn2)c1[N+](=O)[O-] ZINC000893040884 625072477 /nfs/dbraw/zinc/07/24/77/625072477.db2.gz IXSOHPCYSDENEG-UHFFFAOYSA-N 0 3 309.347 2.098 20 5 DEBDHN C[C@H](N[C@@H](C)[C@H]1CCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000892620725 625199704 /nfs/dbraw/zinc/19/97/04/625199704.db2.gz DPKVMZCWRWIKOG-GVXVVHGQSA-N 0 3 312.391 2.069 20 5 DEBDHN C[C@@H](C(=O)N1[C@@H]2CC[C@H]1CN(C)CC2)c1cccc([N+](=O)[O-])c1 ZINC000923269507 637070396 /nfs/dbraw/zinc/07/03/96/637070396.db2.gz NQZCIRMBPRILJE-XPKDYRNWSA-N 0 3 317.389 2.393 20 5 DEBDHN CC[C@H]1CN(CC)CCN1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894743318 637192475 /nfs/dbraw/zinc/19/24/75/637192475.db2.gz FZTYNIVNEBGCHP-ZDUSSCGKSA-N 0 3 323.393 2.225 20 5 DEBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@H]2COCO2)o1 ZINC000894873697 637280921 /nfs/dbraw/zinc/28/09/21/637280921.db2.gz SQILJMOEXWODCA-LBPRGKRZSA-N 0 3 304.302 2.317 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)N2CCCC2)c1C ZINC000895685962 638144888 /nfs/dbraw/zinc/14/48/88/638144888.db2.gz OQFVGNQSWYQKBT-LBPRGKRZSA-N 0 3 305.378 2.426 20 5 DEBDHN COC(=O)N1CCC[C@@H](N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000746049503 638306564 /nfs/dbraw/zinc/30/65/64/638306564.db2.gz REGBUZDEKFZVHM-DGCLKSJQSA-N 0 3 307.350 2.476 20 5 DEBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@@H](n3ccnc3)C2)c1 ZINC000749682440 638670686 /nfs/dbraw/zinc/67/06/86/638670686.db2.gz IUZIREBRBXFALJ-CVEARBPZSA-N 0 3 316.361 2.162 20 5 DEBDHN CC(=O)c1ccc([N+](=O)[O-])cc1N1C[C@H]2CN(C)C[C@@]2(C)C1 ZINC000896913071 639069329 /nfs/dbraw/zinc/06/93/29/639069329.db2.gz MDWKBNTZVOUZMT-WBMJQRKESA-N 0 3 303.362 2.185 20 5 DEBDHN CC(C)(C)[C@@H]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000754226524 639404520 /nfs/dbraw/zinc/40/45/20/639404520.db2.gz OYSTZMLVQORLIU-OWCLPIDISA-N 0 3 322.405 2.357 20 5 DEBDHN CCOc1cc(CNC(C)(C)CC(=O)OC)ccc1[N+](=O)[O-] ZINC000755068740 639512430 /nfs/dbraw/zinc/51/24/30/639512430.db2.gz ZRXOXZNIJBUYHF-UHFFFAOYSA-N 0 3 310.350 2.425 20 5 DEBDHN C[C@H](CC[S@](C)=O)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761528268 640321528 /nfs/dbraw/zinc/32/15/28/640321528.db2.gz PVUZRLNTMPCENM-HOGDKLEQSA-N 0 3 304.799 2.495 20 5 DEBDHN CCS(=O)(=O)C[C@@H](C)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897463672 640432354 /nfs/dbraw/zinc/43/23/54/640432354.db2.gz BCZVKBDKKPPRQB-NWDGAFQWSA-N 0 3 314.407 2.111 20 5 DEBDHN COc1c(O)ccc(CNC[C@@H]2CC[C@H](C3CC3)O2)c1[N+](=O)[O-] ZINC000897506086 640511529 /nfs/dbraw/zinc/51/15/29/640511529.db2.gz ULIVUKLMAGJUEN-GXTWGEPZSA-N 0 3 322.361 2.356 20 5 DEBDHN COc1cc(C[NH2+]C2CC3(C2)CO[C@H](C)C3)c([N+](=O)[O-])cc1[O-] ZINC000897781177 640931009 /nfs/dbraw/zinc/93/10/09/640931009.db2.gz RQHYOGMEABOIFL-WCVRRQIGSA-N 0 3 322.361 2.356 20 5 DEBDHN CCOc1ccc([C@@H](C)NCCO[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000927086550 641621055 /nfs/dbraw/zinc/62/10/55/641621055.db2.gz WNVSUJMCPRBIJH-TZMCWYRMSA-N 0 3 324.377 2.450 20 5 DEBDHN Cc1nn(CN2C[C@@H]3CCC[C@@H]3C2)c2ncc([N+](=O)[O-])cc12 ZINC000902654306 643095865 /nfs/dbraw/zinc/09/58/65/643095865.db2.gz KXKSCGMKQAUDCF-TXEJJXNPSA-N 0 3 301.350 2.337 20 5 DEBDHN COc1cc([C@@H](C)N[C@H](C)CN2CCCC2=O)cc([N+](=O)[O-])c1 ZINC000903075778 643240448 /nfs/dbraw/zinc/24/04/48/643240448.db2.gz DIGPRAYARDJQAE-VXGBXAGGSA-N 0 3 321.377 2.265 20 5 DEBDHN COc1cc([C@H](C)N[C@@H](C)[C@@H](CO)SC)cc([N+](=O)[O-])c1 ZINC000903100673 643249048 /nfs/dbraw/zinc/24/90/48/643249048.db2.gz UNXWURIKEFOZSW-PKFCDNJMSA-N 0 3 314.407 2.366 20 5 DEBDHN Cc1c(CNC[C@H](O)CC2(O)CCCC2)cccc1[N+](=O)[O-] ZINC000905227331 643826642 /nfs/dbraw/zinc/82/66/42/643826642.db2.gz AHJIIBJXFNVHEN-CQSZACIVSA-N 0 3 308.378 2.049 20 5 DEBDHN Cc1ccc(CNC[C@H](O)CC2(O)CCCCC2)cc1[N+](=O)[O-] ZINC000905403226 643895392 /nfs/dbraw/zinc/89/53/92/643895392.db2.gz AMZJDHPVRJWGBX-OAHLLOKOSA-N 0 3 322.405 2.439 20 5 DEBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000791145908 643933239 /nfs/dbraw/zinc/93/32/39/643933239.db2.gz AKTBIGFBRZXOTP-CQSZACIVSA-N 0 3 320.393 2.027 20 5 DEBDHN CCCN(CCN(C)C)C(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC000843787645 651029868 /nfs/dbraw/zinc/02/98/68/651029868.db2.gz CFJHJRAYKOCWBE-UHFFFAOYSA-N 0 3 311.357 2.456 20 5 DEBDHN C/C(=C/C(=O)N1CC[C@@H](N2CCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000912911770 646205332 /nfs/dbraw/zinc/20/53/32/646205332.db2.gz OISBIVFBWVTVPU-DVFVSVACSA-N 0 3 315.373 2.305 20 5 DEBDHN C[C@@H](O)c1ncc(CNCCOc2ccc([N+](=O)[O-])cc2)s1 ZINC000809614809 646246859 /nfs/dbraw/zinc/24/68/59/646246859.db2.gz VGMNMOYMZQRSSE-SNVBAGLBSA-N 0 3 323.374 2.273 20 5 DEBDHN CC[C@@H](C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)N(C)C ZINC000913384672 646339267 /nfs/dbraw/zinc/33/92/67/646339267.db2.gz AZOLUYZITDAPCY-JTQLQIEISA-N 0 3 317.748 2.344 20 5 DEBDHN CC(COC(=O)c1ccc(Br)c(F)c1)[N+](=O)[O-] ZINC000813103645 646729086 /nfs/dbraw/zinc/72/90/86/646729086.db2.gz DDFRKOKWYFRNSX-ZCFIWIBFSA-N 0 3 306.087 2.410 20 5 DEBDHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1OC(F)F ZINC000813106712 646729249 /nfs/dbraw/zinc/72/92/49/646729249.db2.gz GEDRENRTECAFBM-ZETCQYMHSA-N 0 3 305.233 2.119 20 5 DEBDHN Cc1nn(-c2ccccc2)c(C)c1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813110123 646730214 /nfs/dbraw/zinc/73/02/14/646730214.db2.gz SSBAEHQJILKIEO-NSHDSACASA-N 0 3 317.345 2.240 20 5 DEBDHN CC(COC(=O)c1ccc(CNC(=O)C(C)(C)C)cc1)[N+](=O)[O-] ZINC000813111772 646731299 /nfs/dbraw/zinc/73/12/99/646731299.db2.gz XDNDHYBZRPSICK-LLVKDONJSA-N 0 3 322.361 2.171 20 5 DEBDHN CC(COC(=O)c1sc(N2CCCC2)nc1Cl)[N+](=O)[O-] ZINC000813111389 646731348 /nfs/dbraw/zinc/73/13/48/646731348.db2.gz SRJFFFSNRZLBNH-SSDOTTSWSA-N 0 3 319.770 2.219 20 5 DEBDHN CC(COC(=O)c1ccccc1COC1CCOCC1)[N+](=O)[O-] ZINC000813114561 646732552 /nfs/dbraw/zinc/73/25/52/646732552.db2.gz CUAIHJGOHRSZSV-GFCCVEGCSA-N 0 3 323.345 2.204 20 5 DEBDHN O=[N+]([O-])c1ccc(OCCN2CCC3(CC2)OCCCO3)cc1 ZINC000815156352 646982185 /nfs/dbraw/zinc/98/21/85/646982185.db2.gz CCOARMWXKJHVMY-UHFFFAOYSA-N 0 3 322.361 2.203 20 5 DEBDHN C[C@H](NC(=O)N[C@@H]1CCN(C)[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000914239711 647232191 /nfs/dbraw/zinc/23/21/91/647232191.db2.gz MYFZOZFDASKITQ-COPLHBTASA-N 0 3 306.366 2.048 20 5 DEBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@@H](O)CC23CCC3)c1 ZINC000817290447 647259971 /nfs/dbraw/zinc/25/99/71/647259971.db2.gz IZKIHIWHDNQCIZ-CABCVRRESA-N 0 3 306.362 2.008 20 5 DEBDHN CN(CCN1CCCC1)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000152736563 647263139 /nfs/dbraw/zinc/26/31/39/647263139.db2.gz CJKCVZBPJAHKRB-UHFFFAOYSA-N 0 3 311.769 2.416 20 5 DEBDHN COc1ccc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1O ZINC000731679152 647501693 /nfs/dbraw/zinc/50/16/93/647501693.db2.gz YHTGSGHJYNVGQR-HNNXBMFYSA-N 0 3 318.329 2.132 20 5 DEBDHN CC[C@H](NC(=O)N[C@H]1CCN(C)[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000921334509 648291403 /nfs/dbraw/zinc/29/14/03/648291403.db2.gz NJEHGRSXTBQSQR-CQDKDKBSSA-N 0 3 320.393 2.438 20 5 DEBDHN CCN(C(=O)CCc1cc(F)ccc1[N+](=O)[O-])[C@H]1CCN(C)C1 ZINC000824835330 648658988 /nfs/dbraw/zinc/65/89/88/648658988.db2.gz QTTFUADLXLHZDT-AWEZNQCLSA-N 0 3 323.368 2.219 20 5 DEBDHN CCN(C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000824840755 648660287 /nfs/dbraw/zinc/66/02/87/648660287.db2.gz DICZUXZAWWFUBG-ARFHVFGLSA-N 0 3 317.389 2.251 20 5 DEBDHN CO[C@H]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000831547787 649609397 /nfs/dbraw/zinc/60/93/97/649609397.db2.gz WRXRCZWFPAATAX-CABCVRRESA-N 0 3 308.378 2.375 20 5 DEBDHN Cc1n[nH]cc1C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845882058 651292078 /nfs/dbraw/zinc/29/20/78/651292078.db2.gz NURUJTPFUMTWFR-NOZJJQNGSA-N 0 3 307.281 2.421 20 5 DEBDHN Cn1nnc2c1CC[C@H](NCc1cc([N+](=O)[O-])ccc1Cl)C2 ZINC000848566981 651472039 /nfs/dbraw/zinc/47/20/39/651472039.db2.gz NJJGKRUMRKZAGT-JTQLQIEISA-N 0 3 321.768 2.024 20 5 DEBDHN CC[C@@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C[C@H](C)N1 ZINC000856409145 651922335 /nfs/dbraw/zinc/92/23/35/651922335.db2.gz FPQOXQBZPCLMFD-HPYCZGCESA-N 0 3 303.362 2.207 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCc1cnccn1 ZINC000850447369 651931020 /nfs/dbraw/zinc/93/10/20/651931020.db2.gz FPQHBSUNEJQDPG-LLVKDONJSA-N 0 3 302.334 2.287 20 5 DEBDHN C[C@H]1[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CCN1C ZINC000928439342 693779848 /nfs/dbraw/zinc/77/98/48/693779848.db2.gz NREOHMSHIMAGHP-HZMBPMFUSA-N 0 3 323.368 2.220 20 5 DEBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CCN(C)[C@H]1C ZINC000928445116 693780968 /nfs/dbraw/zinc/78/09/68/693780968.db2.gz WYYSZJXDUIWFIE-ONGXEEELSA-N 0 3 311.769 2.379 20 5 DEBDHN CC(=O)N1CCC2(CCN(Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000096157115 684053572 /nfs/dbraw/zinc/05/35/72/684053572.db2.gz OHRSOWZVMSEFAG-UHFFFAOYSA-N 0 3 317.389 2.429 20 5 DEBDHN CO[C@@H]1CN(C)[C@@](C)(COC(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000861344360 686049598 /nfs/dbraw/zinc/04/95/98/686049598.db2.gz OWTZCZMVLQOTFT-XJKSGUPXSA-N 0 3 322.361 2.169 20 5 DEBDHN CC(C)n1ncc(C(=O)OCC(C)[N+](=O)[O-])c1Br ZINC000870378844 688552814 /nfs/dbraw/zinc/55/28/14/688552814.db2.gz YDGJJTMDPVWYIE-ZETCQYMHSA-N 0 3 320.143 2.049 20 5 DEBDHN O=C(N[C@@H]1CCN(C2CC2)C1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000930677121 694215818 /nfs/dbraw/zinc/21/58/18/694215818.db2.gz XJFHZWBSPLMQCF-KCXAZCMYSA-N 0 3 315.373 2.051 20 5 DEBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000871763339 688862579 /nfs/dbraw/zinc/86/25/79/688862579.db2.gz DOBQLEZNJNNGJH-KBPBESRZSA-N 0 3 304.350 2.295 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN[C@@H]1CC(=O)N(C2CC2)C1 ZINC000873070257 689153241 /nfs/dbraw/zinc/15/32/41/689153241.db2.gz QWDCVOZIXRWLKB-GFCCVEGCSA-N 0 3 303.362 2.065 20 5 DEBDHN C[C@@H]1CC[C@@H](C(N)=O)[C@H](C)N1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000930910848 694269348 /nfs/dbraw/zinc/26/93/48/694269348.db2.gz JJZOXISPWCCHOB-JFGNBEQYSA-N 0 3 309.341 2.208 20 5 DEBDHN COc1ccc(CN2[C@H](C)CC[C@@H](C(N)=O)[C@@H]2C)cc1[N+](=O)[O-] ZINC000930914831 694271218 /nfs/dbraw/zinc/27/12/18/694271218.db2.gz JIAUZDYEAOWORN-NTZNESFSSA-N 0 3 321.377 2.078 20 5 DEBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000874840302 689512377 /nfs/dbraw/zinc/51/23/77/689512377.db2.gz MDFYCVQVRQDJAX-KBPBESRZSA-N 0 3 307.325 2.043 20 5 DEBDHN COCCO[C@@H]1CCN(Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877460235 690119606 /nfs/dbraw/zinc/11/96/06/690119606.db2.gz RKRHXIHWLLGENE-CQSZACIVSA-N 0 3 308.378 2.449 20 5 DEBDHN CCCc1ncc(CNC2CC(n3cc([N+](=O)[O-])cn3)C2)o1 ZINC000877573910 690155894 /nfs/dbraw/zinc/15/58/94/690155894.db2.gz XJRCMZXFKANSHR-UHFFFAOYSA-N 0 3 305.338 2.225 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000877629517 690173228 /nfs/dbraw/zinc/17/32/28/690173228.db2.gz VCMJNLVFNWDWLR-ZFWWWQNUSA-N 0 3 317.389 2.312 20 5 DEBDHN C[C@H]1[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CCN1C ZINC000931297337 694359667 /nfs/dbraw/zinc/35/96/67/694359667.db2.gz IBBSRMWTPHGUML-IUCAKERBSA-N 0 3 312.757 2.462 20 5 DEBDHN CCN1[C@H](C)CN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C ZINC000878837348 690510266 /nfs/dbraw/zinc/51/02/66/690510266.db2.gz WWRJEGVUBBHJID-TXEJJXNPSA-N 0 3 322.365 2.418 20 5 DEBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN(CCCCCO)CC1 ZINC000931497536 694413156 /nfs/dbraw/zinc/41/31/56/694413156.db2.gz OFERVYRRWYNFJR-HNNXBMFYSA-N 0 3 321.421 2.436 20 5 DEBDHN COC(=O)[C@@H]1CCCC[C@@]1(C)NCc1cccnc1[N+](=O)[O-] ZINC000886087131 692000666 /nfs/dbraw/zinc/00/06/66/692000666.db2.gz QKDDQQYGDOPQRR-SWLSCSKDSA-N 0 3 307.350 2.201 20 5 DEBDHN COC[C@H](NCc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCCOC1 ZINC000886916080 692230270 /nfs/dbraw/zinc/23/02/70/692230270.db2.gz NZWWLDLWFDQTGK-ZFWWWQNUSA-N 0 3 324.377 2.135 20 5 DEBDHN C[C@@]1([C@@H]2CCCN(Cc3ccccc3[N+](=O)[O-])C2)COC(=O)N1 ZINC000932017576 694527888 /nfs/dbraw/zinc/52/78/88/694527888.db2.gz OIRPWVZULGTOJG-CJNGLKHVSA-N 0 3 319.361 2.305 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NCCN1CCC(C)(C)C1 ZINC000890071573 692852373 /nfs/dbraw/zinc/85/23/73/692852373.db2.gz ALOALWUMFCYOLO-UHFFFAOYSA-N 0 3 305.378 2.365 20 5 DEBDHN CC[C@@H](C)N[C@H](CNc1c([N+](=O)[O-])cnn1C)c1ccco1 ZINC001333766137 1150088798 /nfs/dbraw/zinc/08/87/98/1150088798.db2.gz BRICIVBJYHGIAH-GHMZBOCLSA-N 0 3 307.354 2.463 20 5 DEBDHN C[C@@H]1CN(c2ncnc3cc([N+](=O)[O-])ccc32)[C@H](C)CN1C ZINC001164632240 719189769 /nfs/dbraw/zinc/18/97/69/719189769.db2.gz DQDPTGHNMVOJOA-GHMZBOCLSA-N 0 3 301.350 2.067 20 5 DEBDHN C[C@@H]1[C@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC001332845453 1149899937 /nfs/dbraw/zinc/89/99/37/1149899937.db2.gz WINWNAKCKWGTDB-BXUZGUMPSA-N 0 3 320.393 2.222 20 5 DEBDHN C[C@@H]1[C@@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC001332845455 1149900281 /nfs/dbraw/zinc/90/02/81/1149900281.db2.gz WINWNAKCKWGTDB-RISCZKNCSA-N 0 3 320.393 2.222 20 5 DEBDHN Cc1ccc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)o1 ZINC001123104625 782871758 /nfs/dbraw/zinc/87/17/58/782871758.db2.gz YNLQSNHSBAFNFQ-UHFFFAOYSA-N 0 3 303.318 2.016 20 5 DEBDHN NCc1ccnn1-c1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1 ZINC001155125220 784277964 /nfs/dbraw/zinc/27/79/64/784277964.db2.gz LYONNRRYKNWHFI-UHFFFAOYSA-N 0 3 303.709 2.441 20 5 DEBDHN O=[N+]([O-])C[C@H]1CC[C@H](NCc2nc(Br)cs2)C1 ZINC001168999032 784997468 /nfs/dbraw/zinc/99/74/68/784997468.db2.gz RBAYRKJLJKTLAE-YUMQZZPRSA-N 0 3 320.212 2.441 20 5 DEBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2CCN(c3cccc(F)c3)CC2)C1 ZINC001169050023 785022223 /nfs/dbraw/zinc/02/22/23/785022223.db2.gz YBBNSRMPADSOLR-BBRMVZONSA-N 0 3 307.369 2.393 20 5 DEBDHN COc1ccc(C[C@H](C)N2CC[C@@H](C(C)=O)C2)c([N+](=O)[O-])c1 ZINC001170355155 786917479 /nfs/dbraw/zinc/91/74/79/786917479.db2.gz VZZGNNBOTLWZMV-SMDDNHRTSA-N 0 3 306.362 2.445 20 5 DEBDHN CCC1(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001132576620 788136155 /nfs/dbraw/zinc/13/61/55/788136155.db2.gz MLTJSJLXKCLMKC-UHFFFAOYSA-N 0 3 305.378 2.381 20 5 DEBDHN CNc1ccc(C(=O)N[C@@H]2CCCN(C(C)C)C2)cc1[N+](=O)[O-] ZINC001138092189 788354694 /nfs/dbraw/zinc/35/46/94/788354694.db2.gz YSJZVWJKBPHTJQ-CYBMUJFWSA-N 0 3 320.393 2.239 20 5 DEBDHN Cc1cc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)cs1 ZINC001135321031 789283621 /nfs/dbraw/zinc/28/36/21/789283621.db2.gz JKVJYVCAQCGETC-UHFFFAOYSA-N 0 3 319.386 2.484 20 5 DEBDHN Cc1[nH]cnc1CC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001150827172 796981841 /nfs/dbraw/zinc/98/18/41/796981841.db2.gz INFRSUZMRDXHRK-UHFFFAOYSA-N 0 3 308.725 2.139 20 5 DEBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])C1=CCCC1 ZINC001156527737 798022513 /nfs/dbraw/zinc/02/25/13/798022513.db2.gz KUSAFAULYABSTO-UHFFFAOYSA-N 0 3 303.362 2.301 20 5 DEBDHN C[C@H](N)c1ccn(-c2ccc(-c3ccc([N+](=O)[O-])cc3)nn2)n1 ZINC001158351106 798390666 /nfs/dbraw/zinc/39/06/66/798390666.db2.gz UITYSLANUBXERV-JTQLQIEISA-N 0 3 310.317 2.257 20 5 DEBDHN Cc1nn(C)c(C)c1CNc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001162884883 799196012 /nfs/dbraw/zinc/19/60/12/799196012.db2.gz UAHSSSDMIGOSKG-UHFFFAOYSA-N 0 3 301.350 2.160 20 5 DEBDHN Cc1cnc(N2C[C@H]3c4ccccc4CN[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001165349904 799710915 /nfs/dbraw/zinc/71/09/15/799710915.db2.gz IVWQPEQVRJCDFP-LSDHHAIUSA-N 0 3 310.357 2.374 20 5 DEBDHN CC(C)N1CCC[C@H]1C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000935098060 800558857 /nfs/dbraw/zinc/55/88/57/800558857.db2.gz BZNNBLGSENBZBY-INIZCTEOSA-N 0 3 317.389 2.352 20 5 DEBDHN CC(C)N1CC[C@@H](Oc2n[nH]c(=O)c3cccc([N+](=O)[O-])c32)C1 ZINC001229367688 801264449 /nfs/dbraw/zinc/26/44/49/801264449.db2.gz QQZVUSMARUFXJA-SNVBAGLBSA-N 0 3 318.333 2.105 20 5 DEBDHN CN(CCCNC(=O)c1ccco1)Cc1ccc([N+](=O)[O-])cc1 ZINC001231247742 801616074 /nfs/dbraw/zinc/61/60/74/801616074.db2.gz AVDIKUNAHLRTJF-UHFFFAOYSA-N 0 3 317.345 2.440 20 5 DEBDHN CCN1CCC[C@H](Oc2cc([N+](=O)[O-])ccc2C(=O)OC)C1 ZINC001225452065 802967830 /nfs/dbraw/zinc/96/78/30/802967830.db2.gz XLDBAWNUIQJBHS-LBPRGKRZSA-N 0 3 308.334 2.245 20 5 DEBDHN O=[N+]([O-])c1cnc(O[C@H]2CCCN(Cc3ccccc3)C2)nc1 ZINC001226729243 803150073 /nfs/dbraw/zinc/15/00/73/803150073.db2.gz CFTDOWXBVZIXII-HNNXBMFYSA-N 0 3 314.345 2.428 20 5 DEBDHN CCN1CCC[C@@H](Oc2ccc(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC001227298122 803228197 /nfs/dbraw/zinc/22/81/97/803228197.db2.gz KNMSZKXQBXLWLS-GFCCVEGCSA-N 0 3 308.334 2.245 20 5 DEBDHN O=C(CCN[C@@H]1C[C@H]1C(F)(F)F)Nc1ccccc1[N+](=O)[O-] ZINC001335986291 1150579892 /nfs/dbraw/zinc/57/98/92/1150579892.db2.gz MJGWBGNMEUZPCP-PSASIEDQSA-N 0 3 317.267 2.464 20 5 DEBDHN C[C@@H]1C[C@@H](C)C[NH+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001603845329 1070118130 /nfs/dbraw/zinc/11/81/30/1070118130.db2.gz BVDNUOHNSQXSOY-GHMZBOCLSA-N 0 3 316.365 2.253 20 5 DEBDHN C[C@@H]1C[C@@H](C)C[NH+](Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001603845329 1070118136 /nfs/dbraw/zinc/11/81/36/1070118136.db2.gz BVDNUOHNSQXSOY-GHMZBOCLSA-N 0 3 316.365 2.253 20 5 DEBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1C[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC001607083610 1071292644 /nfs/dbraw/zinc/29/26/44/1071292644.db2.gz JNVVDXBOEUVANP-GWCFXTLKSA-N 0 3 314.349 2.149 20 5 DEBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1C[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC001607083610 1071292664 /nfs/dbraw/zinc/29/26/64/1071292664.db2.gz JNVVDXBOEUVANP-GWCFXTLKSA-N 0 3 314.349 2.149 20 5 DEBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1C[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC001607083610 1071292681 /nfs/dbraw/zinc/29/26/81/1071292681.db2.gz JNVVDXBOEUVANP-GWCFXTLKSA-N 0 3 314.349 2.149 20 5 DEBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1C[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC001607083610 1071292703 /nfs/dbraw/zinc/29/27/03/1071292703.db2.gz JNVVDXBOEUVANP-GWCFXTLKSA-N 0 3 314.349 2.149 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN(CCO)[C@H](C)c1ccccc1 ZINC001459784943 1058217008 /nfs/dbraw/zinc/21/70/08/1058217008.db2.gz NDTIVOATSMZNIU-CYBMUJFWSA-N 0 3 318.377 2.155 20 5 DEBDHN COc1cc([N+](=O)[O-])cnc1NC(=O)[C@H](N)CC1CCCCC1 ZINC001579181144 1067251598 /nfs/dbraw/zinc/25/15/98/1067251598.db2.gz YRWQUDDDHWIWEM-GFCCVEGCSA-N 0 3 322.365 2.235 20 5 DEBDHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)C1(C)CCC1 ZINC001267412751 1078834289 /nfs/dbraw/zinc/83/42/89/1078834289.db2.gz HLTSHAZPVYEBLI-UHFFFAOYSA-N 0 3 305.378 2.333 20 5 DEBDHN C[C@H](CNC(=O)CN1CC[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC001558603167 1075100988 /nfs/dbraw/zinc/10/09/88/1075100988.db2.gz KQDHMQLVPCJUFT-QWHCGFSZSA-N 0 3 305.378 2.156 20 5 DEBDHN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2CCCN3CCCC[C@H]23)n1 ZINC001585026147 1076334559 /nfs/dbraw/zinc/33/45/59/1076334559.db2.gz VAZQETOEBKFXKE-DZGCQCFKSA-N 0 3 318.377 2.045 20 5 DEBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1C[N@@H+]1CCC12CCCC2 ZINC001593483210 1077009465 /nfs/dbraw/zinc/00/94/65/1077009465.db2.gz WVSASDQYHIFPLQ-UHFFFAOYSA-N 0 3 314.349 2.293 20 5 DEBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1C[N@H+]1CCC12CCCC2 ZINC001593483210 1077009468 /nfs/dbraw/zinc/00/94/68/1077009468.db2.gz WVSASDQYHIFPLQ-UHFFFAOYSA-N 0 3 314.349 2.293 20 5 DEBDHN CC(C)C1(O)CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC001655088166 1079985221 /nfs/dbraw/zinc/98/52/21/1079985221.db2.gz GJXHPTNFIIAEFA-UHFFFAOYSA-N 0 3 308.378 2.457 20 5 DEBDHN CC(C)C(=O)NC[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001656184939 1080061464 /nfs/dbraw/zinc/06/14/64/1080061464.db2.gz KTBJECQADJGMBO-MQMHXKEQSA-N 0 3 305.378 2.235 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CCC2(C1)OCCO2 ZINC001657667654 1080182281 /nfs/dbraw/zinc/18/22/81/1080182281.db2.gz LTFOGZYBNMXVCQ-ZDUSSCGKSA-N 0 3 322.361 2.379 20 5 DEBDHN COc1cc(C[NH2+]CC(C)(C)C[C@H](C)O)c([N+](=O)[O-])cc1[O-] ZINC001661546666 1080491673 /nfs/dbraw/zinc/49/16/73/1080491673.db2.gz YPGGCZPFBBEOOD-JTQLQIEISA-N 0 3 312.366 2.196 20 5 DEBDHN O=C(NC/C=C\CNCc1ccc([N+](=O)[O-])cc1)c1ccoc1 ZINC001668701974 1081384543 /nfs/dbraw/zinc/38/45/43/1081384543.db2.gz GPDNUYGVDMLJRT-UPHRSURJSA-N 0 3 315.329 2.264 20 5 DEBDHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)C=C1CCC1 ZINC001266673172 1082270119 /nfs/dbraw/zinc/27/01/19/1082270119.db2.gz CNZBEEJZZWVWMB-UHFFFAOYSA-N 0 3 303.362 2.253 20 5 DEBDHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1ccco1 ZINC001273243396 1090523605 /nfs/dbraw/zinc/52/36/05/1090523605.db2.gz TWFOHOLDSPWPQG-UHFFFAOYSA-N 0 3 317.345 2.440 20 5 DEBDHN CCOC(=O)C[C@H]1CCCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001320585808 1140882420 /nfs/dbraw/zinc/88/24/20/1140882420.db2.gz XISACVWYXUVWJU-HUUCEWRRSA-N 0 3 322.361 2.046 20 5 DEBDHN O=[N+]([O-])c1ccc(CNC[C@@H](O)CC2(O)CCCCC2)cc1 ZINC001336709228 1142542897 /nfs/dbraw/zinc/54/28/97/1142542897.db2.gz BJRAIGOXOSKOIF-HNNXBMFYSA-N 0 3 308.378 2.131 20 5 DEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCC(=O)NCC(C)C ZINC001338757889 1142876196 /nfs/dbraw/zinc/87/61/96/1142876196.db2.gz RBNGBNKCEFUNAV-NTUHNPAUSA-N 0 3 305.378 2.360 20 5 DEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCC(=O)NC1CCCC1 ZINC001254535127 1143241541 /nfs/dbraw/zinc/24/15/41/1143241541.db2.gz HJZNTPYDMNXJLU-LBPRGKRZSA-N 0 3 305.378 2.174 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](NCc1cncc(Cl)n1)C2 ZINC001254579952 1143262269 /nfs/dbraw/zinc/26/22/69/1143262269.db2.gz XNQVPWOFSGDGJR-LLVKDONJSA-N 0 3 304.737 2.295 20 5 DEBDHN C[C@@H]1NC[C@H](C)N(C(=O)CSc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC001341768392 1143700316 /nfs/dbraw/zinc/70/03/16/1143700316.db2.gz URKLILBHGPJPHO-SRVKXCTJSA-N 0 3 323.418 2.284 20 5 DEBDHN Cc1c(CNC(=O)NC[C@H]2CCCCN2C)cccc1[N+](=O)[O-] ZINC001342012407 1143769554 /nfs/dbraw/zinc/76/95/54/1143769554.db2.gz SZMNMSUPDKCDQT-CQSZACIVSA-N 0 3 320.393 2.187 20 5 DEBDHN C[C@@H]1[C@H](C)NC[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001342630966 1143827358 /nfs/dbraw/zinc/82/73/58/1143827358.db2.gz WSJLBADFPDZHOY-LPEHRKFASA-N 0 3 311.769 2.459 20 5 DEBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC(CCCO)CC2)c1 ZINC000272872551 210263324 /nfs/dbraw/zinc/26/33/24/210263324.db2.gz AWBLVAZCMNXOSO-INIZCTEOSA-N 0 3 308.378 2.113 20 5 DEBDHN Cc1ccc([C@@H](C)NCCn2cc([N+](=O)[O-])cn2)cc1[N+](=O)[O-] ZINC000090538003 185301509 /nfs/dbraw/zinc/30/15/09/185301509.db2.gz NEDRPKOHEPVGOP-LLVKDONJSA-N 0 3 319.321 2.359 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N(CCN(C)C)C(C)C ZINC000181601585 199325201 /nfs/dbraw/zinc/32/52/01/199325201.db2.gz ICXCBUYOJFKVLW-UHFFFAOYSA-N 0 3 324.381 2.407 20 5 DEBDHN COC[C@H](O)CCNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000272799378 210200616 /nfs/dbraw/zinc/20/06/16/210200616.db2.gz DQCQCDXVCAFQLY-GFCCVEGCSA-N 0 3 305.334 2.261 20 5 DEBDHN CCN1CCC(NC(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000272779719 210182450 /nfs/dbraw/zinc/18/24/50/210182450.db2.gz DSFJUXBJUPXNBQ-UHFFFAOYSA-N 0 3 322.365 2.209 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000272750232 210156294 /nfs/dbraw/zinc/15/62/94/210156294.db2.gz ODHOMOZYAXUFKP-LBPRGKRZSA-N 0 3 303.362 2.283 20 5 DEBDHN C[C@H](C(=O)N[C@@H]1CCN(C)[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000330880104 232135852 /nfs/dbraw/zinc/13/58/52/232135852.db2.gz YVXOXZMCQROVKR-GRYCIOLGSA-N 0 3 323.368 2.436 20 5 DEBDHN CCN1CCN(C[C@@H](C)CNc2ccsc2[N+](=O)[O-])CC1 ZINC000615491025 362620371 /nfs/dbraw/zinc/62/03/71/362620371.db2.gz ILUCSEUJFQEDRF-LBPRGKRZSA-N 0 3 312.439 2.342 20 5 DEBDHN CN(CCN(C)C1CC1)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000286793683 219168729 /nfs/dbraw/zinc/16/87/29/219168729.db2.gz JZBRHXQXAFPCME-UHFFFAOYSA-N 0 3 307.379 2.130 20 5 DEBDHN CCO[C@@H]1C[C@H](NCc2cccc([N+](=O)[O-])c2)[C@@]12CCCO2 ZINC000272678475 210084188 /nfs/dbraw/zinc/08/41/88/210084188.db2.gz MKUSEGSJDLKGGD-XHSDSOJGSA-N 0 3 306.362 2.411 20 5 DEBDHN Cc1cc(C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)cc([N+](=O)[O-])c1 ZINC000272609619 210009253 /nfs/dbraw/zinc/00/92/53/210009253.db2.gz ZQKHPFYDXHXXHF-SWLSCSKDSA-N 0 3 303.362 2.069 20 5 DEBDHN Cc1cc(C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)cc([N+](=O)[O-])c1 ZINC000272609624 210008679 /nfs/dbraw/zinc/00/86/79/210008679.db2.gz ZQKHPFYDXHXXHF-WFASDCNBSA-N 0 3 303.362 2.069 20 5 DEBDHN C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000287051053 219288404 /nfs/dbraw/zinc/28/84/04/219288404.db2.gz JHGLQJHOZNKBOU-WFASDCNBSA-N 0 3 303.362 2.294 20 5 DEBDHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000287081352 219300741 /nfs/dbraw/zinc/30/07/41/219300741.db2.gz KNYLQUWNWUZWAE-IAQYHMDHSA-N 0 3 321.352 2.433 20 5 DEBDHN Cn1cnc([N+](=O)[O-])c1N[C@H]1CCN(Cc2ccccc2)C1 ZINC000008337265 354011657 /nfs/dbraw/zinc/01/16/57/354011657.db2.gz UDVOELJYAUPRAJ-ZDUSSCGKSA-N 0 3 301.350 2.015 20 5 DEBDHN Cc1c(C(=O)NC2CCN(C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000029092078 354105929 /nfs/dbraw/zinc/10/59/29/354105929.db2.gz FHVCHTAOAZGKSG-UHFFFAOYSA-N 0 3 303.362 2.260 20 5 DEBDHN O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@H](N2CCCC2)C1 ZINC000058918911 354602088 /nfs/dbraw/zinc/60/20/88/354602088.db2.gz UJXNMMSAVRHEMD-LBPRGKRZSA-N 0 3 309.391 2.357 20 5 DEBDHN C[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])N(C)C1CC1 ZINC000057717913 354579342 /nfs/dbraw/zinc/57/93/42/354579342.db2.gz MHYLYPBUYHEYRG-SECBINFHSA-N 0 3 311.769 2.461 20 5 DEBDHN CO[C@H]1CCCC[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000276992602 213225573 /nfs/dbraw/zinc/22/55/73/213225573.db2.gz NGLOHGSOOXEXRI-GJZGRUSLSA-N 0 3 321.377 2.389 20 5 DEBDHN Cc1c(CN2CCC[C@]3(CNC(=O)C3)C2)cccc1[N+](=O)[O-] ZINC000072832584 354923507 /nfs/dbraw/zinc/92/35/07/354923507.db2.gz CAIJEMNINXGTMS-INIZCTEOSA-N 0 3 303.362 2.005 20 5 DEBDHN COc1cc(CNC[C@@H](OC)C(C)C)c([N+](=O)[O-])cc1OC ZINC000072924859 354930628 /nfs/dbraw/zinc/93/06/28/354930628.db2.gz ACDDKSTXWSKPNY-OAHLLOKOSA-N 0 3 312.366 2.373 20 5 DEBDHN CCN1CCCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000091162058 355584910 /nfs/dbraw/zinc/58/49/10/355584910.db2.gz WGDFTOMRYDBLIZ-UHFFFAOYSA-N 0 3 322.365 2.163 20 5 DEBDHN C[C@H](C[S@](C)=O)N(C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000126334007 355816857 /nfs/dbraw/zinc/81/68/57/355816857.db2.gz PWSWKLNCALJNLQ-XUSGNXJCSA-N 0 3 314.407 2.063 20 5 DEBDHN COC(=O)[C@@H](C)CN(CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000171298760 355999848 /nfs/dbraw/zinc/99/98/48/355999848.db2.gz GETMVTZLXRGKLG-LBPRGKRZSA-N 0 3 322.361 2.247 20 5 DEBDHN CC[C@@H](NCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CCCO1 ZINC000182316709 356120762 /nfs/dbraw/zinc/12/07/62/356120762.db2.gz OJICPKPPTWJLAB-HIFRSBDPSA-N 0 3 321.377 2.389 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000398684055 283147842 /nfs/dbraw/zinc/14/78/42/283147842.db2.gz LPDLNVLFHDUEON-ZOWXZIJZSA-N 0 3 306.362 2.196 20 5 DEBDHN C[C@H]1C[C@@H]1N1CCN(c2ccc([N+](=O)[O-])c(N)c2F)C[C@@H](C)C1 ZINC000488717603 291096781 /nfs/dbraw/zinc/09/67/81/291096781.db2.gz FAZRINLMFNXNIT-SUNKGSAMSA-N 0 3 322.384 2.483 20 5 DEBDHN Cc1cc(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)ncn1 ZINC000618572267 363530694 /nfs/dbraw/zinc/53/06/94/363530694.db2.gz DRMGBKYVOURNOZ-KGLIPLIRSA-N 0 3 316.365 2.163 20 5 DEBDHN NC(=O)C1(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])CCCC1 ZINC000579140814 356930376 /nfs/dbraw/zinc/93/03/76/356930376.db2.gz RSHKYTYMKCFDPW-ZDUSSCGKSA-N 0 3 303.362 2.217 20 5 DEBDHN CSC[C@@H](O)CNCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000581939017 357271260 /nfs/dbraw/zinc/27/12/60/357271260.db2.gz GPWFKQWNOOKZBD-NSHDSACASA-N 0 3 324.324 2.427 20 5 DEBDHN C[C@H]1[C@H](C)N(c2ncnc3sc([N+](=O)[O-])cc32)CCN1C ZINC000588011378 357388013 /nfs/dbraw/zinc/38/80/13/357388013.db2.gz CTSSVNXNAMKWIU-IUCAKERBSA-N 0 3 307.379 2.128 20 5 DEBDHN C[C@@H]1CCC[C@]1(O)CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590195286 357525754 /nfs/dbraw/zinc/52/57/54/357525754.db2.gz GTPJDBMXVZQFBW-BZNIZROVSA-N 0 3 322.361 2.007 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@H]2CCN(C)[C@H]2C1 ZINC000590828714 357622207 /nfs/dbraw/zinc/62/22/07/357622207.db2.gz AAJYNIGLTZCNMN-DOMZBBRYSA-N 0 3 318.377 2.379 20 5 DEBDHN CCN(CCSC)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000592200610 357850142 /nfs/dbraw/zinc/85/01/42/357850142.db2.gz ATXGTQHTOBDTKM-GFCCVEGCSA-N 0 3 314.407 2.019 20 5 DEBDHN C[C@@H](CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])N(C)C ZINC000459066952 295956344 /nfs/dbraw/zinc/95/63/44/295956344.db2.gz VNCJCLDKXHTDEY-NSHDSACASA-N 0 3 308.382 2.079 20 5 DEBDHN O=C(N[C@H]1CCCN2CCCC[C@@H]12)c1csc([N+](=O)[O-])c1 ZINC000594204968 358223373 /nfs/dbraw/zinc/22/33/73/358223373.db2.gz YZOLRGMBMZQHRE-RYUDHWBXSA-N 0 3 309.391 2.403 20 5 DEBDHN COC(=O)COc1ccc(CN[C@@]2(C)CC2(C)C)cc1[N+](=O)[O-] ZINC000594996513 358375082 /nfs/dbraw/zinc/37/50/82/358375082.db2.gz ONVJMGNKBSOXKZ-INIZCTEOSA-N 0 3 322.361 2.425 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@]1(OC)CCOC1 ZINC000595034277 358381336 /nfs/dbraw/zinc/38/13/36/358381336.db2.gz UGBGGYKYDASISN-IAQYHMDHSA-N 0 3 310.350 2.060 20 5 DEBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@@H]([C@@H]3CCCCO3)C2)n1 ZINC000595786436 358549422 /nfs/dbraw/zinc/54/94/22/358549422.db2.gz AGMGIJKCUNDCKO-KGLIPLIRSA-N 0 3 308.382 2.072 20 5 DEBDHN O=C1CCCN1C[C@@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000595831993 358559369 /nfs/dbraw/zinc/55/93/69/358559369.db2.gz OGFXSZRXWKKECU-OAHLLOKOSA-N 0 3 317.389 2.082 20 5 DEBDHN COc1cc(NCCCN2CCC(O)CC2)c([N+](=O)[O-])cc1C ZINC000596085278 358606893 /nfs/dbraw/zinc/60/68/93/358606893.db2.gz LPMZGGWGXWPKCY-UHFFFAOYSA-N 0 3 323.393 2.171 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@]3(CCN(C)C3)C2)c1 ZINC000597716740 358987656 /nfs/dbraw/zinc/98/76/56/358987656.db2.gz TWBILBTXDDZQKD-QGZVFWFLSA-N 0 3 317.389 2.461 20 5 DEBDHN C[C@H](CCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000597993640 359060649 /nfs/dbraw/zinc/06/06/49/359060649.db2.gz UTUUZTJWFULXJU-GFCCVEGCSA-N 0 3 321.377 2.014 20 5 DEBDHN O=C(N[C@H]1CCN(C2CCCCC2)C1)c1ccc([N+](=O)[O-])o1 ZINC000598217785 359127439 /nfs/dbraw/zinc/12/74/39/359127439.db2.gz BQTDMQSNAVURQU-NSHDSACASA-N 0 3 307.350 2.325 20 5 DEBDHN C[C@H](CN1CCC(C)CC1)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000598262872 359140072 /nfs/dbraw/zinc/14/00/72/359140072.db2.gz NBBWBTNOTBSMAU-GFCCVEGCSA-N 0 3 320.393 2.027 20 5 DEBDHN CCCN1CC[C@@H](NC(=O)c2c(OCC)cccc2[N+](=O)[O-])C1 ZINC000598342313 359168824 /nfs/dbraw/zinc/16/88/24/359168824.db2.gz MAIICNSFLKFHPT-GFCCVEGCSA-N 0 3 321.377 2.208 20 5 DEBDHN COC(=O)c1ccnc(NCCN2CCCC2(C)C)c1[N+](=O)[O-] ZINC000598630621 359267420 /nfs/dbraw/zinc/26/74/20/359267420.db2.gz GNKGEIADACMRGD-UHFFFAOYSA-N 0 3 322.365 2.063 20 5 DEBDHN COC(=O)c1ccnc(N[C@H]2CCN(C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000598633228 359268198 /nfs/dbraw/zinc/26/81/98/359268198.db2.gz IRIPBOJPHQJQBR-JTQLQIEISA-N 0 3 322.365 2.061 20 5 DEBDHN CC1(C)CC[C@H](CO)N(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000598649974 359276440 /nfs/dbraw/zinc/27/64/40/359276440.db2.gz VZOXWFHXFSJKEL-CQSZACIVSA-N 0 3 308.378 2.457 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC1(N(C)C)CCC1 ZINC000188065374 200189104 /nfs/dbraw/zinc/18/91/04/200189104.db2.gz ZRBPADUJVWEDGM-UHFFFAOYSA-N 0 3 305.378 2.460 20 5 DEBDHN O=C(c1c(F)cccc1[N+](=O)[O-])N1CC[C@H](N2CCCCC2)C1 ZINC000601124352 359930462 /nfs/dbraw/zinc/93/04/62/359930462.db2.gz FMGJEBCIVFLIIF-LBPRGKRZSA-N 0 3 321.352 2.434 20 5 DEBDHN CN1CCN(CC2CCN(c3ccsc3[N+](=O)[O-])CC2)CC1 ZINC000601108526 359923233 /nfs/dbraw/zinc/92/32/33/359923233.db2.gz NBVPLLHSXKJPRC-UHFFFAOYSA-N 0 3 324.450 2.120 20 5 DEBDHN O=[N+]([O-])c1ccc(N2CCC(NCc3ccco3)CC2)cn1 ZINC000602504186 360407764 /nfs/dbraw/zinc/40/77/64/360407764.db2.gz LOXMZBLWQUWCAG-UHFFFAOYSA-N 0 3 302.334 2.341 20 5 DEBDHN CCOC(=O)c1ccc(CNCCc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000602547110 360427257 /nfs/dbraw/zinc/42/72/57/360427257.db2.gz ZOEAIVZVKQIORW-UHFFFAOYSA-N 0 3 317.345 2.432 20 5 DEBDHN COC[C@](C)(O)CNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602562894 360435066 /nfs/dbraw/zinc/43/50/66/360435066.db2.gz HTHVKEHHNXZUJW-GFCCVEGCSA-N 0 3 322.283 2.101 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)[C@@H](C)c1cccc(O)c1 ZINC000602791332 360556786 /nfs/dbraw/zinc/55/67/86/360556786.db2.gz FFGISHWKMKWGLK-NSHDSACASA-N 0 3 304.350 2.498 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@H](CCCO)c1ccccc1 ZINC000602807137 360564555 /nfs/dbraw/zinc/56/45/55/360564555.db2.gz SIZDGNVCOXOWHJ-HNNXBMFYSA-N 0 3 318.377 2.203 20 5 DEBDHN O=[N+]([O-])c1cnn(CCN2CCC3(CCSCC3)CC2)c1 ZINC000602944968 360637122 /nfs/dbraw/zinc/63/71/22/360637122.db2.gz FVVSHVSKOFLLSA-UHFFFAOYSA-N 0 3 310.423 2.401 20 5 DEBDHN O=[N+]([O-])c1ccc(CN2CCN(CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000193737269 201113150 /nfs/dbraw/zinc/11/31/50/201113150.db2.gz GDZMJSNSVUXUSP-UHFFFAOYSA-N 0 3 320.349 2.031 20 5 DEBDHN CO[C@@H]1C[C@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1(C)C ZINC000610652075 361437751 /nfs/dbraw/zinc/43/77/51/361437751.db2.gz WYGCZMKBRWLKGB-LSDHHAIUSA-N 0 3 322.361 2.269 20 5 DEBDHN CN(CCN1CCCC1)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611711596 361664751 /nfs/dbraw/zinc/66/47/51/361664751.db2.gz XJICGPQDGZAXPR-UHFFFAOYSA-N 0 3 301.350 2.070 20 5 DEBDHN CC[C@H]1CN(C)CCCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000619567139 363828169 /nfs/dbraw/zinc/82/81/69/363828169.db2.gz UUWQZIPGNVNTFX-HNNXBMFYSA-N 0 3 319.405 2.470 20 5 DEBDHN C[C@@H](NC(=O)N(C)CCN1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000112744634 296054478 /nfs/dbraw/zinc/05/44/78/296054478.db2.gz KMWCOERVBMAWRA-CYBMUJFWSA-N 0 3 320.393 2.393 20 5 DEBDHN CN(C)[C@H]1CCCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000091393415 193051213 /nfs/dbraw/zinc/05/12/13/193051213.db2.gz UGCPOZVUIWWGQZ-NSHDSACASA-N 0 3 311.769 2.414 20 5 DEBDHN O=[N+]([O-])c1ccc([C@H]2CCCN(CCN3CCOCC3)C2)cc1 ZINC000451549176 243100810 /nfs/dbraw/zinc/10/08/10/243100810.db2.gz PCFOPJAXRDIEGT-INIZCTEOSA-N 0 3 319.405 2.106 20 5 DEBDHN CC[C@@H]1CCCCN1CCNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000264939821 204285934 /nfs/dbraw/zinc/28/59/34/204285934.db2.gz HXUJBMLXPCNMDZ-CYBMUJFWSA-N 0 3 320.393 2.370 20 5 DEBDHN CC(C)N1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000266165872 205152243 /nfs/dbraw/zinc/15/22/43/205152243.db2.gz UUZHSWDBOOXGFI-UHFFFAOYSA-N 0 3 305.378 2.080 20 5 DEBDHN O=[N+]([O-])c1ccc(CNC[C@H]2CCC3(CCOCC3)[C@H]2O)cc1 ZINC000282955493 217350759 /nfs/dbraw/zinc/35/07/59/217350759.db2.gz YBVPQVAPJOYSQZ-ZBFHGGJFSA-N 0 3 320.389 2.252 20 5 DEBDHN Cc1cc(N2CCN(C3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000267079764 205792488 /nfs/dbraw/zinc/79/24/88/205792488.db2.gz SAYAWZOGEGMIHM-UHFFFAOYSA-N 0 3 305.378 2.204 20 5 DEBDHN CC1=CCN(CCNC(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000492559918 249089012 /nfs/dbraw/zinc/08/90/12/249089012.db2.gz IEPRBLLTQVDWDE-VOTSOKGWSA-N 0 3 315.373 2.376 20 5 DEBDHN C[C@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000492449514 249067073 /nfs/dbraw/zinc/06/70/73/249067073.db2.gz OTDKGPIRIMVMGB-GWJCSSMESA-N 0 3 315.373 2.375 20 5 DEBDHN O=[N+]([O-])c1ccccc1N1CCN(CC2(O)CCCC2)CC1 ZINC000332414098 285163416 /nfs/dbraw/zinc/16/34/16/285163416.db2.gz KRGGBGRFOXEWFR-UHFFFAOYSA-N 0 3 305.378 2.022 20 5 DEBDHN O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCN2CCC[C@@H]2C1 ZINC000278362553 285170459 /nfs/dbraw/zinc/17/04/59/285170459.db2.gz KLLZAXRMZXHNOF-SECBINFHSA-N 0 3 316.283 2.293 20 5 DEBDHN COc1ccc(NC(=O)[C@@H](C)NC2(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000542521761 285230825 /nfs/dbraw/zinc/23/08/25/285230825.db2.gz PGVRCQMUJGOALN-SNVBAGLBSA-N 0 3 319.361 2.463 20 5 DEBDHN COc1ccc(CN[C@@H](C)C(C)(C)n2cncn2)cc1[N+](=O)[O-] ZINC000289598326 221094171 /nfs/dbraw/zinc/09/41/71/221094171.db2.gz FVCPRMYUMZBVSZ-NSHDSACASA-N 0 3 319.365 2.108 20 5 DEBDHN COc1cccc(C(=O)NC[C@@H](CC(C)C)N(C)C)c1[N+](=O)[O-] ZINC000192565158 533408197 /nfs/dbraw/zinc/40/81/97/533408197.db2.gz JIHASYSIVFBQBG-GFCCVEGCSA-N 0 3 323.393 2.310 20 5 DEBDHN COC(=O)COC[C@@H](C)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000295894635 533547559 /nfs/dbraw/zinc/54/75/59/533547559.db2.gz YQJCQZPEOXXBFT-VXGBXAGGSA-N 0 3 310.350 2.132 20 5 DEBDHN C[C@H]1CC[C@H](C)N1CC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000340390550 131640935 /nfs/dbraw/zinc/64/09/35/131640935.db2.gz XYLKGMKFTLAHEK-STQMWFEESA-N 0 3 305.378 2.126 20 5 DEBDHN O=[N+]([O-])c1cc(Cl)c(NC[C@H]2CNCCO2)c(Cl)c1 ZINC000236043687 132554691 /nfs/dbraw/zinc/55/46/91/132554691.db2.gz DZTWVSSFJFPRHN-MRVPVSSYSA-N 0 3 306.149 2.302 20 5 DEBDHN CS(=O)(=O)C1(CNC/C=C\c2ccccc2[N+](=O)[O-])CCC1 ZINC000355425826 133025819 /nfs/dbraw/zinc/02/58/19/133025819.db2.gz SZUUEHLOWCEPLP-DAXSKMNVSA-N 0 3 324.402 2.165 20 5 DEBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC([C@H]3CCOC3)CC2)c1 ZINC000376338811 133290998 /nfs/dbraw/zinc/29/09/98/133290998.db2.gz FHRVOVAERQJXOM-DOTOQJQBSA-N 0 3 320.389 2.377 20 5 DEBDHN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N[C@@H](C)CN(C)C ZINC000563468762 292058673 /nfs/dbraw/zinc/05/86/73/292058673.db2.gz JWLPIEYJZLXITM-VIFPVBQESA-N 0 3 313.329 2.273 20 5 DEBDHN CCc1ccc(C(=O)NCCN2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000563802528 292073837 /nfs/dbraw/zinc/07/38/37/292073837.db2.gz DIKQXPLVXGPSNU-LBPRGKRZSA-N 0 3 305.378 2.229 20 5 DEBDHN Cn1nncc1CN[C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000352591538 404478988 /nfs/dbraw/zinc/47/89/88/404478988.db2.gz TWDXWFOWGOGRLG-IUODEOHRSA-N 0 3 315.377 2.224 20 5 DEBDHN COc1cc(C(=O)NC[C@@H](C)N2CCCC2)cc([N+](=O)[O-])c1C ZINC000564791252 292110897 /nfs/dbraw/zinc/11/08/97/292110897.db2.gz NTUCHAQQKVNPRN-LLVKDONJSA-N 0 3 321.377 2.126 20 5 DEBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000247321851 145133588 /nfs/dbraw/zinc/13/35/88/145133588.db2.gz SNDCKYJXGBDEBB-NHYWBVRUSA-N 0 3 321.352 2.290 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(NCCCNCc2cccnc2)n1 ZINC000316912279 145363767 /nfs/dbraw/zinc/36/37/67/145363767.db2.gz VQRIADOLAYPACB-UHFFFAOYSA-N 0 3 301.350 2.285 20 5 DEBDHN CC(=O)c1cc(N2CC[C@H](N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000317362670 145366137 /nfs/dbraw/zinc/36/61/37/145366137.db2.gz ATRJQQNFTRYEEY-AWEZNQCLSA-N 0 3 303.362 2.472 20 5 DEBDHN C[C@@H](CO)N1CCCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000346661410 146118972 /nfs/dbraw/zinc/11/89/72/146118972.db2.gz VZPKFWDCENKPEG-KBPBESRZSA-N 0 3 307.394 2.044 20 5 DEBDHN C[C@@H](CO)N1CCCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000346694160 146126160 /nfs/dbraw/zinc/12/61/60/146126160.db2.gz SHJTYPBXMGEFTN-KBPBESRZSA-N 0 3 307.394 2.044 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CC(=O)N2CCCC[C@H]12 ZINC000370287739 148003178 /nfs/dbraw/zinc/00/31/78/148003178.db2.gz JJRNKHZJRJWVHM-LSDHHAIUSA-N 0 3 303.362 2.146 20 5 DEBDHN Cc1c([C@H](C)N[C@H](C)CCS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000127287959 401727628 /nfs/dbraw/zinc/72/76/28/401727628.db2.gz MFZUYGHVXAKGKI-PWSUYJOCSA-N 0 3 314.407 2.377 20 5 DEBDHN CC(C)C(=O)N1CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC000037563112 401915100 /nfs/dbraw/zinc/91/51/00/401915100.db2.gz PUYHAQBJOMRWCK-UHFFFAOYSA-N 0 3 311.407 2.393 20 5 DEBDHN O=[N+]([O-])c1ccc(CN2CCC[C@H](Cn3ccnn3)C2)cc1 ZINC000119499385 401954664 /nfs/dbraw/zinc/95/46/64/401954664.db2.gz HSQQOUOENARJMM-AWEZNQCLSA-N 0 3 301.350 2.099 20 5 DEBDHN CCN1CCC[C@H]1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000044670850 401947040 /nfs/dbraw/zinc/94/70/40/401947040.db2.gz JCNCNFWOQMXXHV-NSHDSACASA-N 0 3 311.769 2.462 20 5 DEBDHN NC(=O)C[C@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000093808547 402020481 /nfs/dbraw/zinc/02/04/81/402020481.db2.gz YJPUCYYIQWQACS-WXJAXGNASA-N 0 3 303.362 2.195 20 5 DEBDHN CN1CCC[C@H](CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000108338870 402250951 /nfs/dbraw/zinc/25/09/51/402250951.db2.gz UDNQERMWIJMLMX-VIIAAUOXSA-N 0 3 303.362 2.066 20 5 DEBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCCN1C ZINC000184787949 402299799 /nfs/dbraw/zinc/29/97/99/402299799.db2.gz OTYXPKUGYKCZEN-GDBMZVCRSA-N 0 3 319.405 2.374 20 5 DEBDHN C[C@@H](NC(=O)N(C)CCN(C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000185187345 402332399 /nfs/dbraw/zinc/33/23/99/402332399.db2.gz VQGPBJQIRAJEJK-GFCCVEGCSA-N 0 3 320.393 2.391 20 5 DEBDHN Cc1c(NC(=O)[C@H](C)N[C@@H](CCO)C(C)C)cccc1[N+](=O)[O-] ZINC000162046084 402407782 /nfs/dbraw/zinc/40/77/82/402407782.db2.gz RIBORPDVUBLRSN-STQMWFEESA-N 0 3 323.393 2.227 20 5 DEBDHN Cc1c(Br)c(N[C@@H](C)CN(C)C)ncc1[N+](=O)[O-] ZINC000165797598 402478973 /nfs/dbraw/zinc/47/89/73/402478973.db2.gz WCEWJNHGQMJPKN-ZETCQYMHSA-N 0 3 317.187 2.423 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000247219542 402560075 /nfs/dbraw/zinc/56/00/75/402560075.db2.gz CNVXFVXNRMPHQO-IUODEOHRSA-N 0 3 305.378 2.315 20 5 DEBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCN(C2CCCC2)CC1 ZINC000247308382 402563058 /nfs/dbraw/zinc/56/30/58/402563058.db2.gz HMPOTDGWMZWFGR-UHFFFAOYSA-N 0 3 317.389 2.224 20 5 DEBDHN CN(C[C@H]1CCCN(C)C1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000172144168 402641913 /nfs/dbraw/zinc/64/19/13/402641913.db2.gz ZQHPENMGQNWTOU-AWEZNQCLSA-N 0 3 320.393 2.078 20 5 DEBDHN COc1cc(C(=O)NC[C@@H](C)N(C)C2CC2)cc([N+](=O)[O-])c1C ZINC000191149438 402645848 /nfs/dbraw/zinc/64/58/48/402645848.db2.gz RQJZCJVHXLSAKD-SNVBAGLBSA-N 0 3 321.377 2.124 20 5 DEBDHN CO[C@@H](C)CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000191151245 402645967 /nfs/dbraw/zinc/64/59/67/402645967.db2.gz UWLPHNDOUMVMES-NSHDSACASA-N 0 3 304.350 2.120 20 5 DEBDHN CC(C)[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)N(C)C ZINC000345002205 404492789 /nfs/dbraw/zinc/49/27/89/404492789.db2.gz MVVLAKPUQHXZLQ-CYBMUJFWSA-N 0 3 313.785 2.451 20 5 DEBDHN C[C@@H]1C[C@@H](NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000255396608 402686453 /nfs/dbraw/zinc/68/64/53/402686453.db2.gz MKVZFLGFECSSIO-GPTAZTBJSA-N 0 3 315.373 2.349 20 5 DEBDHN CCc1ccc(C(=O)N2CC[C@@H](N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000174170965 402730129 /nfs/dbraw/zinc/73/01/29/402730129.db2.gz PPYJNCCJWZCJRV-OAHLLOKOSA-N 0 3 317.389 2.468 20 5 DEBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCN2C)c1 ZINC000194720047 402812567 /nfs/dbraw/zinc/81/25/67/402812567.db2.gz JVGASKBFHFUKGB-SNVBAGLBSA-N 0 3 309.391 2.141 20 5 DEBDHN CN(CCc1ccc([N+](=O)[O-])cc1)CCN1CCOC(C)(C)C1 ZINC000279679059 402960617 /nfs/dbraw/zinc/96/06/17/402960617.db2.gz GIDGKJOQJFKDCM-UHFFFAOYSA-N 0 3 321.421 2.180 20 5 DEBDHN COC[C@H](O)CNCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000265409099 402916222 /nfs/dbraw/zinc/91/62/22/402916222.db2.gz MTGVHGUFAPHVFI-LLVKDONJSA-N 0 3 322.386 2.420 20 5 DEBDHN CCN(CC)[C@H](CNc1ncc([N+](=O)[O-])cn1)c1ccco1 ZINC000273578971 403017155 /nfs/dbraw/zinc/01/71/55/403017155.db2.gz FKXJBTLILDMAFS-GFCCVEGCSA-N 0 3 305.338 2.473 20 5 DEBDHN O=[N+]([O-])c1cnc(NC2CCN(Cc3ccccc3)CC2)nc1 ZINC000273144409 402976759 /nfs/dbraw/zinc/97/67/59/402976759.db2.gz FVXDWGLPTAJIQR-UHFFFAOYSA-N 0 3 313.361 2.461 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCN(C)CC1 ZINC000282049290 403117305 /nfs/dbraw/zinc/11/73/05/403117305.db2.gz VFARTEAQAQPKPB-UHFFFAOYSA-N 0 3 322.365 2.209 20 5 DEBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N(C)C ZINC000269522005 403146131 /nfs/dbraw/zinc/14/61/31/403146131.db2.gz XRUBOURBAPMJEV-QMMMGPOBSA-N 0 3 319.283 2.294 20 5 DEBDHN CC[C@H](O)[C@H]1CCCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269642121 403152849 /nfs/dbraw/zinc/15/28/49/403152849.db2.gz JPCIEZOEPZTJKZ-PMPSAXMXSA-N 0 3 308.378 2.254 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@H]2CCN(C)C2)c1 ZINC000283977199 403236432 /nfs/dbraw/zinc/23/64/32/403236432.db2.gz MODXSJFLPQDSDU-LBPRGKRZSA-N 0 3 321.377 2.017 20 5 DEBDHN Cn1cccc1CN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000331515867 403405083 /nfs/dbraw/zinc/40/50/83/403405083.db2.gz CMVWBCDHJITISA-ZIAGYGMSSA-N 0 3 303.366 2.403 20 5 DEBDHN CN1CCC(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000298753956 403456654 /nfs/dbraw/zinc/45/66/54/403456654.db2.gz NHWIGCHWRKIFQK-UHFFFAOYSA-N 0 3 303.318 2.165 20 5 DEBDHN CCOC[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000286253203 403482899 /nfs/dbraw/zinc/48/28/99/403482899.db2.gz SIVDDROCNFYLFR-HNNXBMFYSA-N 0 3 323.393 2.492 20 5 DEBDHN CCCN(CCN1CCCC1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000286429451 403524520 /nfs/dbraw/zinc/52/45/20/403524520.db2.gz BODAWKWVWXDWGW-UHFFFAOYSA-N 0 3 319.405 2.472 20 5 DEBDHN CC[C@H](C)NC(=O)CCN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293632762 403524632 /nfs/dbraw/zinc/52/46/32/403524632.db2.gz HPZHBYMFKBAHEB-WDEREUQCSA-N 0 3 308.382 2.132 20 5 DEBDHN CNC(=O)[C@@H]1CCC[C@H]1NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000345826454 403499828 /nfs/dbraw/zinc/49/98/28/403499828.db2.gz FXNHTRPOELQTNQ-KMVAXQJASA-N 0 3 303.362 2.112 20 5 DEBDHN C[C@@H](NC[C@H](O)Cc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293622957 403521580 /nfs/dbraw/zinc/52/15/80/403521580.db2.gz HCFGCLXTDOUZBU-IUODEOHRSA-N 0 3 315.373 2.431 20 5 DEBDHN C[C@H](NC[C@H](O)Cc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293622960 403521590 /nfs/dbraw/zinc/52/15/90/403521590.db2.gz HCFGCLXTDOUZBU-SWLSCSKDSA-N 0 3 315.373 2.431 20 5 DEBDHN CN1CC[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)C2)C1 ZINC000293884342 403590035 /nfs/dbraw/zinc/59/00/35/403590035.db2.gz MGYCLFAMIGYNFS-HNNXBMFYSA-N 0 3 323.780 2.416 20 5 DEBDHN C[C@H]1[C@H](N2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000287420293 403595517 /nfs/dbraw/zinc/59/55/17/403595517.db2.gz ZYBVKMVGEYFYKX-SWLSCSKDSA-N 0 3 303.362 2.294 20 5 DEBDHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000287244702 403557863 /nfs/dbraw/zinc/55/78/63/403557863.db2.gz RGQIRNMPHJVUJI-GHMZBOCLSA-N 0 3 309.391 2.355 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@@H]1CC[C@H](CO)O1)CCC2 ZINC000340413639 403608470 /nfs/dbraw/zinc/60/84/70/403608470.db2.gz QPVOUUKCJJMFKU-SQWLQELKSA-N 0 3 306.362 2.102 20 5 DEBDHN CCOc1ccc([C@H](C)NC[C@H]2CC[C@H](CO)O2)cc1[N+](=O)[O-] ZINC000340418911 403610092 /nfs/dbraw/zinc/61/00/92/403610092.db2.gz IWCPTBJCCHPMJH-IACUBPJLSA-N 0 3 324.377 2.184 20 5 DEBDHN CCOc1ccc(C(=O)N[C@@H]2CCCN(C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000343528856 403624395 /nfs/dbraw/zinc/62/43/95/403624395.db2.gz MBTYEDDBTQYIBC-DGCLKSJQSA-N 0 3 321.377 2.206 20 5 DEBDHN O=[N+]([O-])c1ccc(NC2CCN([C@@H]3CCOC3)CC2)c(F)c1 ZINC000301699576 403666713 /nfs/dbraw/zinc/66/67/13/403666713.db2.gz CUHQDZWQOYHTJZ-CYBMUJFWSA-N 0 3 309.341 2.399 20 5 DEBDHN C[C@H](Nc1c([N+](=O)[O-])ncn1C)[C@H](c1ccccc1)N(C)C ZINC000287838063 403676452 /nfs/dbraw/zinc/67/64/52/403676452.db2.gz RGIJONNCRRYKHH-WCQYABFASA-N 0 3 303.366 2.432 20 5 DEBDHN COCCCN(CCO)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000347375842 403685590 /nfs/dbraw/zinc/68/55/90/403685590.db2.gz KZEYKUKSPWZQIK-KAMYIIQDSA-N 0 3 308.378 2.329 20 5 DEBDHN C[C@H]1CN(C2CC2)C[C@@H]1Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000287932360 403693921 /nfs/dbraw/zinc/69/39/21/403693921.db2.gz QZELPTHOEOMDPB-KWQFWETISA-N 0 3 319.390 2.494 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000341205973 403832909 /nfs/dbraw/zinc/83/29/09/403832909.db2.gz RYTPKGNYOBWTGS-QWRGUYRKSA-N 0 3 322.365 2.208 20 5 DEBDHN CCCN[C@H](C)C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000295207581 403797093 /nfs/dbraw/zinc/79/70/93/403797093.db2.gz PTLCZODMUNPYPF-SNVBAGLBSA-N 0 3 317.349 2.312 20 5 DEBDHN CC(C)Oc1cc(C(=O)NC[C@@H]2CCN(C)C2)ccc1[N+](=O)[O-] ZINC000411548250 403890546 /nfs/dbraw/zinc/89/05/46/403890546.db2.gz DQGBXFHNYZPCCS-LBPRGKRZSA-N 0 3 321.377 2.064 20 5 DEBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C)NC1CC1 ZINC000295505016 403961943 /nfs/dbraw/zinc/96/19/43/403961943.db2.gz UISOGFKAHOFMNC-LBPRGKRZSA-N 0 3 305.378 2.472 20 5 DEBDHN COc1ccc(CNC(=O)CN2[C@H](C)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000344186035 403964619 /nfs/dbraw/zinc/96/46/19/403964619.db2.gz DMGIGNNEZRCMCS-VXGBXAGGSA-N 0 3 321.377 2.092 20 5 DEBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1CCOC2(CCOCC2)C1 ZINC000336854710 403929083 /nfs/dbraw/zinc/92/90/83/403929083.db2.gz QSXDKYIPPOLBTN-CQSZACIVSA-N 0 3 306.362 2.413 20 5 DEBDHN CN(C)CCOC1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000351825857 403943257 /nfs/dbraw/zinc/94/32/57/403943257.db2.gz BIQUXSPMEOWABH-UHFFFAOYSA-N 0 3 311.357 2.281 20 5 DEBDHN C[C@H]1C[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CCN1C ZINC000322233951 404082258 /nfs/dbraw/zinc/08/22/58/404082258.db2.gz YSMKLPWWASUTKG-JQWIXIFHSA-N 0 3 318.377 2.374 20 5 DEBDHN Cc1ncccc1CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369690140 404194627 /nfs/dbraw/zinc/19/46/27/404194627.db2.gz AUSGSZQAHFQBHZ-UHFFFAOYSA-N 0 3 301.350 2.332 20 5 DEBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000344637721 404277857 /nfs/dbraw/zinc/27/78/57/404277857.db2.gz FZIMGIMTCQPQKK-AWEZNQCLSA-N 0 3 305.378 2.445 20 5 DEBDHN COc1cccc(N2CCC(OCCN(C)C)CC2)c1[N+](=O)[O-] ZINC000355429158 404334210 /nfs/dbraw/zinc/33/42/10/404334210.db2.gz YZCJDMHWCQYBGT-UHFFFAOYSA-N 0 3 323.393 2.150 20 5 DEBDHN CCOc1cc(NCCCN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000356486134 404552182 /nfs/dbraw/zinc/55/21/82/404552182.db2.gz RKOQQYUVLQMRBP-UHFFFAOYSA-N 0 3 322.409 2.043 20 5 DEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@@H]1CS(=O)(=O)C[C@H]1C ZINC000342409636 404561571 /nfs/dbraw/zinc/56/15/71/404561571.db2.gz DHIIXHCUBOFTCF-JAMFPYSNSA-N 0 3 324.402 2.021 20 5 DEBDHN CS[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000342540952 404640823 /nfs/dbraw/zinc/64/08/23/404640823.db2.gz HFGFKZQORUVAOP-ZIAGYGMSSA-N 0 3 313.398 2.211 20 5 DEBDHN CN(C)C(=O)[C@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000414503456 404660227 /nfs/dbraw/zinc/66/02/27/404660227.db2.gz WHUTWIOTDXKAEP-DYLGSBMWSA-N 0 3 303.362 2.018 20 5 DEBDHN C[C@H]1CN(c2ccccc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000374308705 404704447 /nfs/dbraw/zinc/70/44/47/404704447.db2.gz HCHSSGGAKURRTI-LSDHHAIUSA-N 0 3 318.421 2.057 20 5 DEBDHN Cc1c(NC(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)cccc1[N+](=O)[O-] ZINC000414699086 404710988 /nfs/dbraw/zinc/71/09/88/404710988.db2.gz JGABYADINUOCEV-JQWIXIFHSA-N 0 3 322.365 2.138 20 5 DEBDHN C[C@@H](C(=O)NCC1(N(C)C)CCC1)c1ccc([N+](=O)[O-])cc1F ZINC000353359363 404812608 /nfs/dbraw/zinc/81/26/08/404812608.db2.gz UFQVVJVKPIYBOK-LLVKDONJSA-N 0 3 323.368 2.438 20 5 DEBDHN COc1ccc(NC(=O)C23CCCN2CCC3)cc1[N+](=O)[O-] ZINC000415430314 404862419 /nfs/dbraw/zinc/86/24/19/404862419.db2.gz JNIKFQFVYIDUEC-UHFFFAOYSA-N 0 3 305.334 2.170 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000415649363 404907029 /nfs/dbraw/zinc/90/70/29/404907029.db2.gz DHZZYWJFEVWEJQ-QWRGUYRKSA-N 0 3 322.365 2.208 20 5 DEBDHN C[S@](=O)C1(CNC/C=C\c2ccccc2[N+](=O)[O-])CCC1 ZINC000435727611 405009211 /nfs/dbraw/zinc/00/92/11/405009211.db2.gz ZMDGKQLLJGCEGH-PAKAJVGYSA-N 0 3 308.403 2.499 20 5 DEBDHN CC(C)CC[C@H](O)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000361303475 405014305 /nfs/dbraw/zinc/01/43/05/405014305.db2.gz DAUZOAZADLBUBT-ZFWWWQNUSA-N 0 3 322.409 2.273 20 5 DEBDHN CN1CC[C@@H](CNCc2ccc([N+](=O)[O-])cc2Cl)CC1=O ZINC000424183010 405032337 /nfs/dbraw/zinc/03/23/37/405032337.db2.gz BENDFDZKNPMNMT-SNVBAGLBSA-N 0 3 311.769 2.206 20 5 DEBDHN COc1ccc(CN2CC[C@@H]([C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000354101818 405045414 /nfs/dbraw/zinc/04/54/14/405045414.db2.gz WPTRMDSCFRGAGD-KGLIPLIRSA-N 0 3 306.362 2.462 20 5 DEBDHN CN(C)C1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000417151223 405049361 /nfs/dbraw/zinc/04/93/61/405049361.db2.gz HKLCMTXQJOUUNE-UHFFFAOYSA-N 0 3 312.757 2.464 20 5 DEBDHN CCCN(C)CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437488308 405201986 /nfs/dbraw/zinc/20/19/86/405201986.db2.gz WMIGRTWYIFZMJE-UHFFFAOYSA-N 0 3 305.378 2.428 20 5 DEBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@H](N2CCCCC2)C1 ZINC000408327543 405174393 /nfs/dbraw/zinc/17/43/93/405174393.db2.gz BWTHPUQVCNFRLU-CYBMUJFWSA-N 0 3 307.398 2.184 20 5 DEBDHN O=[N+]([O-])c1cccc(Cl)c1CN1CC[C@H](c2nc[nH]n2)C1 ZINC000425556013 405302590 /nfs/dbraw/zinc/30/25/90/405302590.db2.gz ZFAUXKZGMMESKA-VIFPVBQESA-N 0 3 307.741 2.356 20 5 DEBDHN CCCN(C)CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000427602630 405414264 /nfs/dbraw/zinc/41/42/64/405414264.db2.gz HDBZIHSEWQTMQX-UHFFFAOYSA-N 0 3 305.378 2.428 20 5 DEBDHN CN(C[C@@H]1CCCN1C)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000420643270 405366870 /nfs/dbraw/zinc/36/68/70/405366870.db2.gz XDLQMDVFKHYNJU-VIFPVBQESA-N 0 3 307.379 2.130 20 5 DEBDHN CCN1CCC(NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000421739677 405622569 /nfs/dbraw/zinc/62/25/69/405622569.db2.gz DHQGJEDGZLKNPS-UHFFFAOYSA-N 0 3 305.378 2.426 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1CCOC[C@@H]1OC ZINC000449458604 405570826 /nfs/dbraw/zinc/57/08/26/405570826.db2.gz PFVIOCUGJJRJBQ-WBMJQRKESA-N 0 3 324.377 2.135 20 5 DEBDHN CCN(CCNC(=O)c1cc([N+](=O)[O-])c(C)cc1C)C1CC1 ZINC000421764925 405635733 /nfs/dbraw/zinc/63/57/33/405635733.db2.gz XFAAOJHRPMTZHC-UHFFFAOYSA-N 0 3 305.378 2.426 20 5 DEBDHN Cc1c(CC(=O)NC[C@@H](C)N2CCCC2)cccc1[N+](=O)[O-] ZINC000532683348 406093672 /nfs/dbraw/zinc/09/36/72/406093672.db2.gz RYOUXZCUSLNALQ-GFCCVEGCSA-N 0 3 305.378 2.046 20 5 DEBDHN C[C@H](NC[C@H](O)COCc1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000451101964 406052276 /nfs/dbraw/zinc/05/22/76/406052276.db2.gz AXNMANXLWHAJSR-WFASDCNBSA-N 0 3 320.345 2.416 20 5 DEBDHN Cc1c([C@@H](C)NCCN2CCO[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000532485172 406079913 /nfs/dbraw/zinc/07/99/13/406079913.db2.gz JSTCVZKGIQRJSE-GXTWGEPZSA-N 0 3 307.394 2.275 20 5 DEBDHN CCOC(=O)CC[C@H](O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000567725885 406127130 /nfs/dbraw/zinc/12/71/30/406127130.db2.gz NEWLOLCHWYFDTI-OCCSQVGLSA-N 0 3 324.377 2.258 20 5 DEBDHN CC(C)[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CCN1C ZINC000487975493 406279713 /nfs/dbraw/zinc/27/97/13/406279713.db2.gz CIRAACVTQRNOAL-MRXNPFEDSA-N 0 3 307.394 2.246 20 5 DEBDHN CC(C)[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CCN1C ZINC000487975492 406280106 /nfs/dbraw/zinc/28/01/06/406280106.db2.gz CIRAACVTQRNOAL-INIZCTEOSA-N 0 3 307.394 2.246 20 5 DEBDHN CN(C)CCN(C(=O)c1cc([N+](=O)[O-])cn1C)c1ccccc1 ZINC000521182270 406334446 /nfs/dbraw/zinc/33/44/46/406334446.db2.gz OYDBWDWZOTUJPJ-UHFFFAOYSA-N 0 3 316.361 2.142 20 5 DEBDHN CNC(=O)[C@@H]1CCC[C@H]1N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000570582241 406413233 /nfs/dbraw/zinc/41/32/33/406413233.db2.gz ZYRYFILLCXLCSZ-MCIONIFRSA-N 0 3 303.362 2.086 20 5 DEBDHN CC(C)CN(C(=O)c1cc([N+](=O)[O-])cn1C)C1CCN(C)CC1 ZINC000524417358 406449127 /nfs/dbraw/zinc/44/91/27/406449127.db2.gz FZCNEERFGHGMPY-UHFFFAOYSA-N 0 3 322.409 2.126 20 5 DEBDHN C[C@@H]1CN(c2nc3sccn3c2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000571630423 406543932 /nfs/dbraw/zinc/54/39/32/406543932.db2.gz RGMODRYYTKRVJW-JTQLQIEISA-N 0 3 321.406 2.225 20 5 DEBDHN C[C@@H]1CCN(C)CCN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000491886495 406764388 /nfs/dbraw/zinc/76/43/88/406764388.db2.gz OQLUZRGRISWGIO-SBDDDAINSA-N 0 3 303.362 2.161 20 5 DEBDHN O=[N+]([O-])c1ccc(CN(CCCN2CCOCC2)C2CC2)cc1 ZINC000130864836 196117579 /nfs/dbraw/zinc/11/75/79/196117579.db2.gz KDLOAFXPUOETPL-UHFFFAOYSA-N 0 3 319.405 2.282 20 5 DEBDHN COc1cc(N2C[C@H](SC)[C@@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC000271640112 209086086 /nfs/dbraw/zinc/08/60/86/209086086.db2.gz PNRSLYCUNAGIKO-JSGCOSHPSA-N 0 3 311.407 2.085 20 5 DEBDHN Cc1ccc([C@@H](C)NCCN2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000295934577 225392338 /nfs/dbraw/zinc/39/23/38/225392338.db2.gz LATVAMLJWDZIAZ-CYBMUJFWSA-N 0 3 307.394 2.011 20 5 DEBDHN CN(C)CCNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291521631 222443609 /nfs/dbraw/zinc/44/36/09/222443609.db2.gz ZIHXBDUSFZPTBA-UHFFFAOYSA-N 0 3 306.149 2.193 20 5 DEBDHN CC(COC(=O)c1noc2c1CCc1ccccc1-2)[N+](=O)[O-] ZINC001348533206 1151168012 /nfs/dbraw/zinc/16/80/12/1151168012.db2.gz JDDARZHYAZJJFY-SECBINFHSA-N 0 3 302.286 2.262 20 5 DEBDHN O=[N+]([O-])c1cc2ccccc2nc1NC[C@H]1CCN(C2CC2)C1 ZINC000555337096 424881077 /nfs/dbraw/zinc/88/10/77/424881077.db2.gz PIESPPLKEDUENL-GFCCVEGCSA-N 0 3 312.373 3.039 20 5 DEBDHN CCN(CCNC(=O)/C=C\c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000209809347 424884496 /nfs/dbraw/zinc/88/44/96/424884496.db2.gz HEHBOFGQKDYCQY-TWGQIWQCSA-N 0 3 303.362 2.209 20 5 DEBDHN C[C@H](Nc1ccc(N)c([N+](=O)[O-])n1)[C@H](c1ccccc1)N(C)C ZINC000596217120 425020917 /nfs/dbraw/zinc/02/09/17/425020917.db2.gz NINGKLUGMNJTAG-XHDPSFHLSA-N 0 3 315.377 2.675 20 5 DEBDHN CCOC(=O)N1CC[C@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000496596114 269234014 /nfs/dbraw/zinc/23/40/14/269234014.db2.gz OATZSYMWIZYXDG-SMDDNHRTSA-N 0 3 319.361 2.403 20 5 DEBDHN CCN1CCC[C@H]1CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000514770954 269330868 /nfs/dbraw/zinc/33/08/68/269330868.db2.gz RCHSGAVFAFRDHM-DOMZBBRYSA-N 0 3 305.378 2.299 20 5 DEBDHN CN1CC[C@@H]2CN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)C[C@@H]21 ZINC000516908993 269371791 /nfs/dbraw/zinc/37/17/91/269371791.db2.gz HOBQUKIYRFIVRE-RNCFNFMXSA-N 0 3 309.753 2.024 20 5 DEBDHN C[C@H](C(=O)N1CC[C@@H]2CCN(C)C[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000517065161 269375840 /nfs/dbraw/zinc/37/58/40/269375840.db2.gz PLDNFFJMTLHHBS-XEZPLFJOSA-N 0 3 317.389 2.251 20 5 DEBDHN CO[C@](C)([C@@H](C)NCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000411977601 274086662 /nfs/dbraw/zinc/08/66/62/274086662.db2.gz YEFKDUSAGUAJCL-BDJLRTHQSA-N 0 3 321.377 2.327 20 5 DEBDHN CS[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C)C[C@@H]1N1CCCC1 ZINC000274691161 274183416 /nfs/dbraw/zinc/18/34/16/274183416.db2.gz QNPVJHPBSVAHLP-UONOGXRCSA-N 0 3 322.434 2.314 20 5 DEBDHN C[C@@H]1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@H]1C ZINC000248366760 274304407 /nfs/dbraw/zinc/30/44/07/274304407.db2.gz SNHVWQOJEKHDJZ-XUJVJEKNSA-N 0 3 303.362 2.430 20 5 DEBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)N(C)C ZINC000361120869 276528140 /nfs/dbraw/zinc/52/81/40/276528140.db2.gz DRBNTJXOAOLHFB-OCCSQVGLSA-N 0 3 307.394 2.230 20 5 DEBDHN CN1CC[C@H]2[C@H](CCCN2c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000269099488 277183370 /nfs/dbraw/zinc/18/33/70/277183370.db2.gz QJGNQHKSXTUZTC-MNOVXSKESA-N 0 3 321.406 2.225 20 5 DEBDHN C[C@@H](CN(C)C)NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000295532651 278239489 /nfs/dbraw/zinc/23/94/89/278239489.db2.gz QIQSEHJFFTXZAO-QMMMGPOBSA-N 0 3 319.283 2.294 20 5 DEBDHN C[C@@H]1CN(c2ccccc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000374308704 278806356 /nfs/dbraw/zinc/80/63/56/278806356.db2.gz HCHSSGGAKURRTI-HUUCEWRRSA-N 0 3 318.421 2.057 20 5 DEBDHN C[C@@H]1C[C@H]1N1CCN(c2ncc([N+](=O)[O-])cc2F)C[C@@H](C)C1 ZINC000413299258 279008631 /nfs/dbraw/zinc/00/86/31/279008631.db2.gz HHBOPKMXSFIYCA-MISXGVKJSA-N 0 3 308.357 2.295 20 5 DEBDHN C[C@H](CN1CCOCC1)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192674454 279319335 /nfs/dbraw/zinc/31/93/35/279319335.db2.gz UINDBFSKKUQASE-DYVFJYSZSA-N 0 3 319.405 2.283 20 5 DEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC2CCC1CC2 ZINC000368617555 280375700 /nfs/dbraw/zinc/37/57/00/280375700.db2.gz ZTGFHDCUGFSOCR-JXQTWKCFSA-N 0 3 306.362 2.209 20 5 DEBDHN C[C@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])CCN1C1CCCC1 ZINC001349385221 1151245787 /nfs/dbraw/zinc/24/57/87/1151245787.db2.gz YGWBYNPGTUEPKU-ZDUSSCGKSA-N 0 3 311.426 2.297 20 5 DEBDHN C[C@H]1C[C@H](NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CO1 ZINC000576754827 326316455 /nfs/dbraw/zinc/31/64/55/326316455.db2.gz KDZXFCSRGFNXBA-FZMZJTMJSA-N 0 3 316.361 2.262 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@H]2CCN(C)[C@H]2C1 ZINC000583246560 337287098 /nfs/dbraw/zinc/28/70/98/337287098.db2.gz QWLVOTHQJNUBDX-RISCZKNCSA-N 0 3 304.350 2.071 20 5 DEBDHN C[C@@H]1CN[C@@H](C)[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001358176922 1152369353 /nfs/dbraw/zinc/36/93/53/1152369353.db2.gz QXYBNCLGVZTXRV-UTLUCORTSA-N 0 3 311.769 2.459 20 5 DEBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000245500116 524563404 /nfs/dbraw/zinc/56/34/04/524563404.db2.gz ZNONJOLLCHURPR-SMDDNHRTSA-N 0 3 306.366 2.399 20 5 DEBDHN O=C(NC1CCN(C2CCC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000296771828 534797753 /nfs/dbraw/zinc/79/77/53/534797753.db2.gz AKKMCLQINVMIDW-UHFFFAOYSA-N 0 3 321.352 2.481 20 5 DEBDHN C[C@H]1C[C@@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2F)CCN1C ZINC000156321401 524787236 /nfs/dbraw/zinc/78/72/36/524787236.db2.gz WOPSVFUQXVBPLO-AAEUAGOBSA-N 0 3 323.368 2.218 20 5 DEBDHN O=[N+]([O-])c1ccc(CCN2CCOC3(CCOCC3)CC2)cc1 ZINC000364240327 527347502 /nfs/dbraw/zinc/34/75/02/527347502.db2.gz KWSLNBSNPYDMBS-UHFFFAOYSA-N 0 3 320.389 2.409 20 5 DEBDHN COC(=O)N1CC(NC/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000492309428 536405425 /nfs/dbraw/zinc/40/54/25/536405425.db2.gz UBWSKGSXKZVESM-IZZDOVSWSA-N 0 3 305.334 2.038 20 5 DEBDHN COc1cc(C(=O)N[C@H]2CCCN(C)[C@H]2C)cc([N+](=O)[O-])c1C ZINC000359869195 536519398 /nfs/dbraw/zinc/51/93/98/536519398.db2.gz CZBYAAGQHWHGSS-AAEUAGOBSA-N 0 3 321.377 2.124 20 5 DEBDHN COc1ccccc1C(C)(C)NCCn1ccc([N+](=O)[O-])n1 ZINC000176230203 537004542 /nfs/dbraw/zinc/00/45/42/537004542.db2.gz GYTXAPMDMUVCJF-UHFFFAOYSA-N 0 3 304.350 2.325 20 5 DEBDHN O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000823635254 606412342 /nfs/dbraw/zinc/41/23/42/606412342.db2.gz UMXGZASZSXYXJS-UHFFFAOYSA-N 0 3 316.346 2.126 20 5 DEBDHN COc1c(O)ccc(CNCCc2ccccn2)c1[N+](=O)[O-] ZINC000892422732 625602176 /nfs/dbraw/zinc/60/21/76/625602176.db2.gz GGMVKDKOLYEDDT-UHFFFAOYSA-N 0 3 303.318 2.036 20 5 DEBDHN COc1c([O-])ccc(C[NH2+]CCc2ccccn2)c1[N+](=O)[O-] ZINC000892422732 625602178 /nfs/dbraw/zinc/60/21/78/625602178.db2.gz GGMVKDKOLYEDDT-UHFFFAOYSA-N 0 3 303.318 2.036 20 5 DEBDHN CC(COC(=O)[C@@H](c1c(F)cccc1Cl)N(C)C)[N+](=O)[O-] ZINC000813106186 623305307 /nfs/dbraw/zinc/30/53/07/623305307.db2.gz ABDNZSGLXOBGTN-QPUJVOFHSA-N 0 3 318.732 2.290 20 5 DEBDHN CC(COC(=O)c1cn2cc(Cl)cc(Cl)c2n1)[N+](=O)[O-] ZINC000813114867 623403182 /nfs/dbraw/zinc/40/31/82/623403182.db2.gz HYAPNMIRPRWYRL-ZCFIWIBFSA-N 0 3 318.116 2.463 20 5 DEBDHN COCC1(C[NH2+]Cc2ccc([O-])c(OC)c2[N+](=O)[O-])CCC1 ZINC000894258199 636584946 /nfs/dbraw/zinc/58/49/46/636584946.db2.gz LMQMOLRFDBPHSA-UHFFFAOYSA-N 0 3 310.350 2.215 20 5 DEBDHN CCO[C@H](CNc1ccc([N+](=O)[O-])cc1C(C)=O)CN(C)C ZINC000896115564 638360362 /nfs/dbraw/zinc/36/03/62/638360362.db2.gz MBPSGZPORPIZJQ-CYBMUJFWSA-N 0 3 309.366 2.176 20 5 DEBDHN Cc1ccc(CNC(=O)N(C)[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000896220786 638417405 /nfs/dbraw/zinc/41/74/05/638417405.db2.gz WIYHXLISHIRESV-AWEZNQCLSA-N 0 3 320.393 2.139 20 5 DEBDHN C[C@@H](N[C@@H]1CCCS(=O)(=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000896510392 638546057 /nfs/dbraw/zinc/54/60/57/638546057.db2.gz NOKRPUCRQSUJDF-DGCLKSJQSA-N 0 3 312.391 2.213 20 5 DEBDHN C[C@@H](NC(=O)N(C)[C@@H]1CCCN(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000896613779 638603884 /nfs/dbraw/zinc/60/38/84/638603884.db2.gz XIPCIDNZLGFJNP-IUODEOHRSA-N 0 3 320.393 2.391 20 5 DEBDHN Cc1nn(CN2CCC[C@H]2C2CC2)c2ncc([N+](=O)[O-])cc12 ZINC000749950702 638696388 /nfs/dbraw/zinc/69/63/88/638696388.db2.gz NTKIVHWVJDLEOB-AWEZNQCLSA-N 0 3 301.350 2.480 20 5 DEBDHN COc1cc(CNC[C@@H]2CC[C@@H](C3CC3)O2)c([N+](=O)[O-])cc1O ZINC000897511328 640521357 /nfs/dbraw/zinc/52/13/57/640521357.db2.gz KDTVFHRSBFYKOC-WFASDCNBSA-N 0 3 322.361 2.356 20 5 DEBDHN O=[N+]([O-])c1ccc([C@@H](O)CN[C@H](CO)c2ccsc2)cc1 ZINC000770688994 641408695 /nfs/dbraw/zinc/40/86/95/641408695.db2.gz OYWOZFBBWBMRMW-KGLIPLIRSA-N 0 3 308.359 2.013 20 5 DEBDHN CCc1cc(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)[nH]n1 ZINC000774194728 641875362 /nfs/dbraw/zinc/87/53/62/641875362.db2.gz YXYCJUXPONSDTB-ZIAGYGMSSA-N 0 3 318.381 2.350 20 5 DEBDHN C[C@H]1CN(CCNCc2ccc([N+](=O)[O-])c(Cl)c2)CCO1 ZINC000783624197 643029208 /nfs/dbraw/zinc/02/92/08/643029208.db2.gz ZQDQIQLJTSEGSY-NSHDSACASA-N 0 3 313.785 2.059 20 5 DEBDHN CC(COC(=O)C1(CC(=O)OC(C)(C)C)CCC1)[N+](=O)[O-] ZINC000842801795 650828805 /nfs/dbraw/zinc/82/88/05/650828805.db2.gz MAEKEFNFXFALIZ-SNVBAGLBSA-N 0 3 301.339 2.097 20 5 DEBDHN O=[N+]([O-])c1cccc(CNC[C@H](O)C[C@@H](O)c2ccccc2)c1 ZINC000905065362 643785551 /nfs/dbraw/zinc/78/55/51/643785551.db2.gz IAXKUBHAWDDOMC-IAGOWNOFSA-N 0 3 316.357 2.169 20 5 DEBDHN O=[N+]([O-])c1cccc(CNC[C@H](O)C[C@H](O)c2ccccc2)c1 ZINC000905065366 643785841 /nfs/dbraw/zinc/78/58/41/643785841.db2.gz IAXKUBHAWDDOMC-SJORKVTESA-N 0 3 316.357 2.169 20 5 DEBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000791063054 643925969 /nfs/dbraw/zinc/92/59/69/643925969.db2.gz VGMSURANLXUKOR-AWEZNQCLSA-N 0 3 320.393 2.027 20 5 DEBDHN CC[C@](C)(CC(=O)OC)NCc1ccc([N+](=O)[O-])cc1OC ZINC000797518869 644890380 /nfs/dbraw/zinc/89/03/80/644890380.db2.gz MHFWPMPOZKZWLG-OAHLLOKOSA-N 0 3 310.350 2.425 20 5 DEBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000843850099 651039876 /nfs/dbraw/zinc/03/98/76/651039876.db2.gz DGPNANAKZVKCCP-NSHDSACASA-N 0 3 321.352 2.423 20 5 DEBDHN COc1ccc(Br)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813102077 646729005 /nfs/dbraw/zinc/72/90/05/646729005.db2.gz NKYJKNQNWBTVEB-ZETCQYMHSA-N 0 3 318.123 2.280 20 5 DEBDHN CC(COC(=O)c1cccc(OCc2cccnc2)c1)[N+](=O)[O-] ZINC000813102247 646729077 /nfs/dbraw/zinc/72/90/77/646729077.db2.gz CLRVPQGXXBTQKK-GFCCVEGCSA-N 0 3 316.313 2.483 20 5 DEBDHN CC(COC(=O)/C=C/c1ccc(Br)o1)[N+](=O)[O-] ZINC000813106078 646729350 /nfs/dbraw/zinc/72/93/50/646729350.db2.gz XZFULXPRLYYGMH-MZTFZBDOSA-N 0 3 304.096 2.264 20 5 DEBDHN CC(COC(=O)[C@@H](OC1CCOCC1)c1ccccc1)[N+](=O)[O-] ZINC000813106494 646729495 /nfs/dbraw/zinc/72/94/95/646729495.db2.gz CSPLJCWTSXMHLH-DOMZBBRYSA-N 0 3 323.345 2.132 20 5 DEBDHN CC(COC(=O)c1csc(Nc2ccccn2)n1)[N+](=O)[O-] ZINC000813111861 646731494 /nfs/dbraw/zinc/73/14/94/646731494.db2.gz AWMJQWYOMLSORN-QMMMGPOBSA-N 0 3 308.319 2.104 20 5 DEBDHN CC(COC(=O)c1ccccc1COC1CCOCC1)[N+](=O)[O-] ZINC000813114563 646732965 /nfs/dbraw/zinc/73/29/65/646732965.db2.gz CUAIHJGOHRSZSV-LBPRGKRZSA-N 0 3 323.345 2.204 20 5 DEBDHN CC(COC(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1)[N+](=O)[O-] ZINC000813113844 646733138 /nfs/dbraw/zinc/73/31/38/646733138.db2.gz VNCLKYSSEKTJFQ-NRUUGDAUSA-N 0 3 306.318 2.103 20 5 DEBDHN CC(COC(=O)CCC(=O)c1ccc(F)c(F)c1)[N+](=O)[O-] ZINC000813114625 646733410 /nfs/dbraw/zinc/73/34/10/646733410.db2.gz UTSSJSSNQRBPNU-MRVPVSSYSA-N 0 3 301.245 2.136 20 5 DEBDHN C[C@H](NC(=O)N[C@H]1CCN(C)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000914239714 647232088 /nfs/dbraw/zinc/23/20/88/647232088.db2.gz MYFZOZFDASKITQ-WDMOLILDSA-N 0 3 306.366 2.048 20 5 DEBDHN Cc1ccc(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)nc1C ZINC000819364017 647644246 /nfs/dbraw/zinc/64/42/46/647644246.db2.gz RHRCLQNDZKOEKS-MRXNPFEDSA-N 0 3 301.346 2.430 20 5 DEBDHN Cc1ccc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)nc1C ZINC000819364016 647644345 /nfs/dbraw/zinc/64/43/45/647644345.db2.gz RHRCLQNDZKOEKS-INIZCTEOSA-N 0 3 301.346 2.430 20 5 DEBDHN CC[C@H](NC(=O)N[C@H]1CCN(C)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000921334511 648291606 /nfs/dbraw/zinc/29/16/06/648291606.db2.gz NJEHGRSXTBQSQR-UGFHNGPFSA-N 0 3 320.393 2.438 20 5 DEBDHN CCN(C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000824840758 648660842 /nfs/dbraw/zinc/66/08/42/648660842.db2.gz DICZUXZAWWFUBG-BZUAXINKSA-N 0 3 317.389 2.251 20 5 DEBDHN CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C[C@H](C)N1 ZINC000826678559 648904621 /nfs/dbraw/zinc/90/46/21/648904621.db2.gz AULQYQVWXZDETB-RUAUBTSSSA-N 0 3 317.389 2.297 20 5 DEBDHN CC[C@@H]1CN(CC)CCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000831971313 649665211 /nfs/dbraw/zinc/66/52/11/649665211.db2.gz NRKRYJYOKBPAOI-CYBMUJFWSA-N 0 3 322.365 2.419 20 5 DEBDHN CCC(CC)(C(=O)OCC(C)[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000845577018 651256261 /nfs/dbraw/zinc/25/62/61/651256261.db2.gz QGZMTOAOQLPHPY-SNVBAGLBSA-N 0 3 303.355 2.343 20 5 DEBDHN CN(CCN1CCCCC1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000845756995 651278726 /nfs/dbraw/zinc/27/87/26/651278726.db2.gz AIYUGHUAGAYTJX-UHFFFAOYSA-N 0 3 308.338 2.425 20 5 DEBDHN CC([C@H](OC(=O)Cc1ccnn1C)c1ccccc1F)[N+](=O)[O-] ZINC000845884108 651292040 /nfs/dbraw/zinc/29/20/40/651292040.db2.gz XMYRVJOEJHQEAK-BONVTDFDSA-N 0 3 321.308 2.051 20 5 DEBDHN CN(CCN1CCCCC1)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000846611639 651341223 /nfs/dbraw/zinc/34/12/23/651341223.db2.gz FODVQZGGIXOIHQ-UHFFFAOYSA-N 0 3 309.341 2.292 20 5 DEBDHN O=C(N[C@H]1CCCN2CCCC[C@@H]12)c1cc([N+](=O)[O-])ccc1F ZINC000847255844 651384556 /nfs/dbraw/zinc/38/45/56/651384556.db2.gz MPNDFNHIUVEKSS-GJZGRUSLSA-N 0 3 321.352 2.481 20 5 DEBDHN O=C1O[C@H](CNC/C=C\c2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000848578035 651474190 /nfs/dbraw/zinc/47/41/90/651474190.db2.gz MRXYCTGWYBJVRC-PKXJPQMGSA-N 0 3 317.345 2.181 20 5 DEBDHN CC(COC(=O)[C@H](C(=O)OC(C)(C)C)C1CCCC1)[N+](=O)[O-] ZINC000851035789 652049532 /nfs/dbraw/zinc/04/95/32/652049532.db2.gz AZCAIDZJCYSPOO-ZYHUDNBSSA-N 0 3 315.366 2.343 20 5 DEBDHN CC(C)(COC(=O)c1cccc(CN2CCCC2)c1)[N+](=O)[O-] ZINC000851128639 652074815 /nfs/dbraw/zinc/07/48/15/652074815.db2.gz BCJGXWLAPOQEMT-UHFFFAOYSA-N 0 3 306.362 2.495 20 5 DEBDHN C[C@@H]1[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CCN1C ZINC000928439345 693779388 /nfs/dbraw/zinc/77/93/88/693779388.db2.gz NREOHMSHIMAGHP-YGRLFVJLSA-N 0 3 323.368 2.220 20 5 DEBDHN COc1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1Br ZINC000860776990 685959996 /nfs/dbraw/zinc/95/99/96/685959996.db2.gz IMTBUFSGWWXYSV-ZETCQYMHSA-N 0 3 318.123 2.280 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1N1CCC(N2CCN(C)CC2)CC1 ZINC000866212498 687495165 /nfs/dbraw/zinc/49/51/65/687495165.db2.gz GNFIKEYSKRROND-UHFFFAOYSA-N 0 3 318.421 2.119 20 5 DEBDHN Cc1c(C(=O)N2CCN(C)C(C)(C)CC2)cccc1[N+](=O)[O-] ZINC000871149793 688735989 /nfs/dbraw/zinc/73/59/89/688735989.db2.gz ISZHHAUDHVAZMZ-UHFFFAOYSA-N 0 3 305.378 2.460 20 5 DEBDHN C[C@@H](NC[C@H](C)N1CCN(C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872034956 688917294 /nfs/dbraw/zinc/91/72/94/688917294.db2.gz SKBDJBHPIIXEOT-QWHCGFSZSA-N 0 3 324.400 2.020 20 5 DEBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CCOC[C@H]1O ZINC000872089951 688925676 /nfs/dbraw/zinc/92/56/76/688925676.db2.gz INZAKQKKRBSMBW-ZWKOPEQDSA-N 0 3 312.391 2.117 20 5 DEBDHN C[C@H](NC[C@@H](O)C[C@](C)(O)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000872209598 688953461 /nfs/dbraw/zinc/95/34/61/688953461.db2.gz WNUKDELNKWNCSW-UVBJJODRSA-N 0 3 308.378 2.157 20 5 DEBDHN CC1(C)[C@H]2[C@H](CCCN2C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]1O ZINC000872262175 688967230 /nfs/dbraw/zinc/96/72/30/688967230.db2.gz SALFRNWMCXJLHN-JJXSEGSLSA-N 0 3 320.389 2.110 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNCCOC[C@H]1CCCO1 ZINC000873050932 689148723 /nfs/dbraw/zinc/14/87/23/689148723.db2.gz XCEBYTHNGIGCNP-CQSZACIVSA-N 0 3 308.378 2.497 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN[C@@H]1CC(=O)N(C(C)C)C1 ZINC000873057174 689149889 /nfs/dbraw/zinc/14/98/89/689149889.db2.gz OXSRCQFLVQYDEC-CYBMUJFWSA-N 0 3 305.378 2.311 20 5 DEBDHN CO[C@H]1C[C@@H](CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000877962458 690272558 /nfs/dbraw/zinc/27/25/58/690272558.db2.gz KZFLZYKQZXJASZ-AKAXFMLLSA-N 0 3 305.378 2.142 20 5 DEBDHN CC(C)[C@H](NCc1cn(C)nc1[N+](=O)[O-])[C@H](O)c1ccccc1 ZINC000878596291 690450001 /nfs/dbraw/zinc/45/00/01/690450001.db2.gz BQVJHBVOFJFEIP-LSDHHAIUSA-N 0 3 318.377 2.176 20 5 DEBDHN C[C@@](CO)(NC[C@H](O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000879273731 690607881 /nfs/dbraw/zinc/60/78/81/690607881.db2.gz YDBDTBBZVFYRLM-IRXDYDNUSA-N 0 3 316.357 2.126 20 5 DEBDHN O=[N+]([O-])c1ccc2c(cnn2CN2CC[C@H]([C@@H]3CCCO3)C2)c1 ZINC000884483277 691748969 /nfs/dbraw/zinc/74/89/69/691748969.db2.gz QRTRGQCEDCQIDM-LRDDRELGSA-N 0 3 316.361 2.403 20 5 DEBDHN CN1CCN(Cc2cccnc2[N+](=O)[O-])CC12CCCCC2 ZINC000886226756 692030407 /nfs/dbraw/zinc/03/04/07/692030407.db2.gz RCEJWGIAYZSAJK-UHFFFAOYSA-N 0 3 304.394 2.440 20 5 DEBDHN C[C@@]1([C@H]2CCCN(Cc3cccc([N+](=O)[O-])c3)C2)COC(=O)N1 ZINC000932025774 694531112 /nfs/dbraw/zinc/53/11/12/694531112.db2.gz HFQPKOKOZDNJTP-BBRMVZONSA-N 0 3 319.361 2.305 20 5 DEBDHN C[C@]1([C@@H]2CCCN(Cc3cccc([N+](=O)[O-])c3)C2)COC(=O)N1 ZINC000932025777 694531267 /nfs/dbraw/zinc/53/12/67/694531267.db2.gz HFQPKOKOZDNJTP-CZUORRHYSA-N 0 3 319.361 2.305 20 5 DEBDHN CC1(C)CCN(CCNC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000890075922 692854204 /nfs/dbraw/zinc/85/42/04/692854204.db2.gz SVFLHWYTAZBMRB-UHFFFAOYSA-N 0 3 309.341 2.196 20 5 DEBDHN CC(C)CN(CCn1ccc([N+](=O)[O-])n1)Cc1ccccn1 ZINC000932446698 694617487 /nfs/dbraw/zinc/61/74/87/694617487.db2.gz UVBOHFPLYHJQEW-UHFFFAOYSA-N 0 3 303.366 2.345 20 5 DEBDHN CC(C)CC[C@H](N)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001333336017 1150036025 /nfs/dbraw/zinc/03/60/25/1150036025.db2.gz KUNYAVMGCXQXPZ-HNNXBMFYSA-N 0 3 305.378 2.243 20 5 DEBDHN Nc1cc(N[C@@H]2CCN(Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC001347865650 1151102893 /nfs/dbraw/zinc/10/28/93/1151102893.db2.gz GUNRLTXNMLYOCB-CYBMUJFWSA-N 0 3 313.361 2.258 20 5 DEBDHN CCN(CCNc1ccc([N+](=O)[O-])cc1)C(=O)CN(C)C(C)C ZINC001106778943 782931772 /nfs/dbraw/zinc/93/17/72/782931772.db2.gz NFLSFAWVNKZURP-UHFFFAOYSA-N 0 3 322.409 2.195 20 5 DEBDHN Cc1coc(C)c1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001126578401 779712312 /nfs/dbraw/zinc/71/23/12/779712312.db2.gz AKESMBLHTJLVOT-UHFFFAOYSA-N 0 3 317.345 2.324 20 5 DEBDHN CC(C(=O)NCCNCc1cccc([N+](=O)[O-])c1)=C1CCC1 ZINC001126875197 781012629 /nfs/dbraw/zinc/01/26/29/781012629.db2.gz BYDAHCDJFACLKR-UHFFFAOYSA-N 0 3 303.362 2.301 20 5 DEBDHN O=C(C1CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1)C(F)(F)F ZINC001169034574 785011354 /nfs/dbraw/zinc/01/13/54/785011354.db2.gz HZMMELIKYMPULO-KOLCDFICSA-N 0 3 308.300 2.275 20 5 DEBDHN O=[N+]([O-])C[C@H]1CC[C@@H](n2nc(C(F)(F)F)c3c2CCNC3)C1 ZINC001169038851 785012791 /nfs/dbraw/zinc/01/27/91/785012791.db2.gz KZNMFEWHNQXLDV-DTWKUNHWSA-N 0 3 318.299 2.166 20 5 DEBDHN COC(=O)c1cccc2c1CCN([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169048434 785021874 /nfs/dbraw/zinc/02/18/74/785021874.db2.gz UZJZQJJUVGCJEC-TZMCWYRMSA-N 0 3 318.373 2.277 20 5 DEBDHN COc1ccc(C[C@H](C)NC[C@@H](F)C(C)(C)O)c([N+](=O)[O-])c1 ZINC001170327472 786909740 /nfs/dbraw/zinc/90/97/40/786909740.db2.gz RXAWVWLOHGNLHN-IINYFYTJSA-N 0 3 314.357 2.233 20 5 DEBDHN COC(=O)[C@@H]1CCN([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170335148 786913728 /nfs/dbraw/zinc/91/37/28/786913728.db2.gz LRJDYIYMNKFFSV-WCQYABFASA-N 0 3 322.361 2.029 20 5 DEBDHN C[C@H](Nc1ccc2cc(F)cc([N+](=O)[O-])c2n1)[C@@H]1CNCCO1 ZINC001170569782 787649343 /nfs/dbraw/zinc/64/93/43/787649343.db2.gz MFICUBPQTDNHGM-ZANVPECISA-N 0 3 320.324 2.071 20 5 DEBDHN Cc1cc([N+](=O)[O-])c(OC(C)C)cc1N[C@H](C)[C@@H]1CNCCO1 ZINC001170576614 787677770 /nfs/dbraw/zinc/67/77/70/787677770.db2.gz VVSJWEULHHFHLB-WBMJQRKESA-N 0 3 323.393 2.479 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCN3CC[C@H]3C2)c1F ZINC001173194587 793624813 /nfs/dbraw/zinc/62/48/13/793624813.db2.gz VWJKCBWIJAZPRT-RYUDHWBXSA-N 0 3 323.368 2.063 20 5 DEBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1cn(CCF)cn1 ZINC001173225556 793641415 /nfs/dbraw/zinc/64/14/15/793641415.db2.gz RSFYRGUFSMELLE-GFCCVEGCSA-N 0 3 306.341 2.482 20 5 DEBDHN CC(=O)N(C)[C@H]1CCN([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173232868 793645910 /nfs/dbraw/zinc/64/59/10/793645910.db2.gz UEBRRHUWUCFXRF-WBMJQRKESA-N 0 3 305.378 2.078 20 5 DEBDHN COc1cc(CNCCc2ccccc2O)c([N+](=O)[O-])cc1O ZINC001177590392 794704733 /nfs/dbraw/zinc/70/47/33/794704733.db2.gz NIDLBDWSVLVCTP-UHFFFAOYSA-N 0 3 318.329 2.347 20 5 DEBDHN COc1cc(C[NH2+]CC[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1[O-] ZINC001179690962 795154025 /nfs/dbraw/zinc/15/40/25/795154025.db2.gz SENZIMKWLQWANA-FZMZJTMJSA-N 0 3 324.377 2.340 20 5 DEBDHN COc1ccc(NC(=O)N(CCN(C)C)C(C)C)c([N+](=O)[O-])c1 ZINC001123268847 795883720 /nfs/dbraw/zinc/88/37/20/795883720.db2.gz VEQWIONADZJZLI-UHFFFAOYSA-N 0 3 324.381 2.407 20 5 DEBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC001154089992 797461008 /nfs/dbraw/zinc/46/10/08/797461008.db2.gz JBKOHFRBGJVHOS-UHFFFAOYSA-N 0 3 305.378 2.381 20 5 DEBDHN Cc1cc(CN)nn1-c1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001156044221 797912265 /nfs/dbraw/zinc/91/22/65/797912265.db2.gz LEKMAAMKOJIRGC-UHFFFAOYSA-N 0 3 324.344 2.313 20 5 DEBDHN O=C(C=C1CCC1)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001156453652 798003958 /nfs/dbraw/zinc/00/39/58/798003958.db2.gz AJSCOJXYDWMMDK-UHFFFAOYSA-N 0 3 303.362 2.301 20 5 DEBDHN CCOC(=O)c1cc([N+](=O)[O-])cnc1N[C@]1(C)CCCN(C)C1 ZINC001162337480 799064601 /nfs/dbraw/zinc/06/46/01/799064601.db2.gz PCNKGPBXPZZCIL-OAHLLOKOSA-N 0 3 322.365 2.063 20 5 DEBDHN C[C@@H](N)c1nc2ccccc2n1-c1cnc(F)c([N+](=O)[O-])c1 ZINC001162777561 799171024 /nfs/dbraw/zinc/17/10/24/799171024.db2.gz UKGDAZUMETUZKQ-MRVPVSSYSA-N 0 3 301.281 2.488 20 5 DEBDHN CO[C@@H]1CCN(CCOc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC001229007219 801207730 /nfs/dbraw/zinc/20/77/30/801207730.db2.gz HAJWKEDOPBBFIQ-CQSZACIVSA-N 0 3 317.345 2.243 20 5 DEBDHN COC(=O)c1cnc(O[C@H]2CCCN(C(C)C)C2)c([N+](=O)[O-])c1 ZINC001233861734 802228260 /nfs/dbraw/zinc/22/82/60/802228260.db2.gz KOOSHLNFMTVCKP-LBPRGKRZSA-N 0 3 323.349 2.028 20 5 DEBDHN COC(=O)c1ccc([N+](=O)[O-])cc1O[C@@H]1CCN(C(C)C)C1 ZINC001225452090 802967910 /nfs/dbraw/zinc/96/79/10/802967910.db2.gz YCVQJYUXLDYAQV-GFCCVEGCSA-N 0 3 308.334 2.243 20 5 DEBDHN CCN1CC[C@H](Oc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC001225896191 803026828 /nfs/dbraw/zinc/02/68/28/803026828.db2.gz DAPPHCVPDBYQHI-VIFPVBQESA-N 0 3 305.256 2.482 20 5 DEBDHN Cc1cc(NC(=O)N2CC[C@H]3CN(C)C[C@@H]32)cc([N+](=O)[O-])c1 ZINC001344874917 1150847915 /nfs/dbraw/zinc/84/79/15/1150847915.db2.gz IWBVGHKETJVVAU-FZMZJTMJSA-N 0 3 304.350 2.071 20 5 DEBDHN COc1ccc(NC(=O)NC[C@@H]2CCCCN2C)cc1[N+](=O)[O-] ZINC001345843159 1150920771 /nfs/dbraw/zinc/92/07/71/1150920771.db2.gz WTWIVKZFSMZPCZ-LBPRGKRZSA-N 0 3 322.365 2.209 20 5 DEBDHN COc1c(Br)cccc1C(=O)OCC(C)[N+](=O)[O-] ZINC001525758979 1070168878 /nfs/dbraw/zinc/16/88/78/1070168878.db2.gz FNIARNFKYBZMAH-ZETCQYMHSA-N 0 3 318.123 2.280 20 5 DEBDHN O=[N+]([O-])c1cnn(CCNCc2cccc(OC(F)F)c2)c1 ZINC001461315297 1058636611 /nfs/dbraw/zinc/63/66/11/1058636611.db2.gz WVRMPYUYMIEMGQ-UHFFFAOYSA-N 0 3 312.276 2.183 20 5 DEBDHN Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H](C)N2CCC(C)CC2)n1 ZINC001631420270 1078364194 /nfs/dbraw/zinc/36/41/94/1078364194.db2.gz HGLREURYMSMZST-ZDUSSCGKSA-N 0 3 320.393 2.148 20 5 DEBDHN CN1C[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C(C)(C)C1 ZINC001635648760 1078455485 /nfs/dbraw/zinc/45/54/85/1078455485.db2.gz JIURALORZCBOSX-ZDUSSCGKSA-N 0 3 316.361 2.146 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN(C(C)C)C1 ZINC001556123031 1075018834 /nfs/dbraw/zinc/01/88/34/1075018834.db2.gz ZJPIBPXVAOBTJT-LBPRGKRZSA-N 0 3 321.377 2.206 20 5 DEBDHN O=C(Nc1ccc2c(c1)OCCNC2)c1ccc([N+](=O)[O-])cc1 ZINC001580774271 1075991813 /nfs/dbraw/zinc/99/18/13/1075991813.db2.gz WDZUHFHLSFOLBP-UHFFFAOYSA-N 0 3 313.313 2.329 20 5 DEBDHN C[C@H]1C[C@H](C)[N@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590191055 1076579459 /nfs/dbraw/zinc/57/94/59/1076579459.db2.gz OQJRJDZAJUXCID-UWVGGRQHSA-N 0 3 302.338 2.005 20 5 DEBDHN C[C@H]1C[C@H](C)[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590191055 1076579466 /nfs/dbraw/zinc/57/94/66/1076579466.db2.gz OQJRJDZAJUXCID-UWVGGRQHSA-N 0 3 302.338 2.005 20 5 DEBDHN C[C@H]1C[C@H](C)[N@H+](Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590191055 1076579470 /nfs/dbraw/zinc/57/94/70/1076579470.db2.gz OQJRJDZAJUXCID-UWVGGRQHSA-N 0 3 302.338 2.005 20 5 DEBDHN C[C@H]1C[C@H](C)[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590191055 1076579482 /nfs/dbraw/zinc/57/94/82/1076579482.db2.gz OQJRJDZAJUXCID-UWVGGRQHSA-N 0 3 302.338 2.005 20 5 DEBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001609602659 1077882212 /nfs/dbraw/zinc/88/22/12/1077882212.db2.gz BPDFRJLOESWBSD-SUZMYJTESA-N 0 3 314.349 2.053 20 5 DEBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001609602659 1077882215 /nfs/dbraw/zinc/88/22/15/1077882215.db2.gz BPDFRJLOESWBSD-SUZMYJTESA-N 0 3 314.349 2.053 20 5 DEBDHN COC(=O)c1cc(CNC[C@@H](C)c2ccccc2[N+](=O)[O-])on1 ZINC001653171955 1079915683 /nfs/dbraw/zinc/91/56/83/1079915683.db2.gz SDNBVFIGPDGCON-SNVBAGLBSA-N 0 3 319.317 2.263 20 5 DEBDHN Cc1noc(CN2CCN(C3CCCC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC001654795232 1079976882 /nfs/dbraw/zinc/97/68/82/1079976882.db2.gz WNRVGVDRYKUZEI-NSHDSACASA-N 0 3 308.382 2.340 20 5 DEBDHN O=C(NC/C=C\CNCc1ccc([N+](=O)[O-])cc1)C1=CCCC1 ZINC001482997848 1082614757 /nfs/dbraw/zinc/61/47/57/1082614757.db2.gz MVFHYWFOWICNSR-ARJAWSKDSA-N 0 3 315.373 2.467 20 5 DEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCNC[C@@H]1C(F)(F)F ZINC001246992366 1141224626 /nfs/dbraw/zinc/22/46/26/1141224626.db2.gz QNHRFQNFVDWUEY-ZWNOBZJWSA-N 0 3 317.311 2.362 20 5 DEBDHN CO[C@@H](CN)c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001249369299 1141878936 /nfs/dbraw/zinc/87/89/36/1141878936.db2.gz FZPXBOVULVNAAV-ZDUSSCGKSA-N 0 3 321.340 2.479 20 5 DEBDHN O=[N+]([O-])c1ccccc1-c1nc([C@@H]2CN3CCC2CC3)no1 ZINC001323915764 1141899053 /nfs/dbraw/zinc/89/90/53/1141899053.db2.gz WYMCTWBKNWLTAF-GFCCVEGCSA-N 0 3 300.318 2.454 20 5 DEBDHN Cn1cc2c(n1)CCC[C@H]2NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001336704822 1142539446 /nfs/dbraw/zinc/53/94/46/1142539446.db2.gz XCOPWPMTQZAXLX-GDBMZVCRSA-N 0 3 316.361 2.029 20 5 DEBDHN COC(=O)[C@H]1CCCN([C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254550720 1143243548 /nfs/dbraw/zinc/24/35/48/1143243548.db2.gz PLQBRBSTLYLSCP-OCCSQVGLSA-N 0 3 306.362 2.411 20 5 DEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC2(CCC(=O)N2)CC1 ZINC001254571373 1143255058 /nfs/dbraw/zinc/25/50/58/1143255058.db2.gz UBRWHVCUKJWCIQ-CYBMUJFWSA-N 0 3 317.389 2.270 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CCN(C3CCC3)CC1)C2 ZINC001254601034 1143274545 /nfs/dbraw/zinc/27/45/45/1143274545.db2.gz XKODQHUGJTYXOM-QGZVFWFLSA-N 0 3 301.390 2.232 20 5 DEBDHN O=C1CC[C@]2(CCCN([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)O1 ZINC001254609793 1143283086 /nfs/dbraw/zinc/28/30/86/1143283086.db2.gz YDRAWPGPXUVOHN-WBVHZDCISA-N 0 3 316.357 2.234 20 5 DEBDHN CCOc1ccc(C(=O)N2[C@H](C)CN[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC001341027885 1143525804 /nfs/dbraw/zinc/52/58/04/1143525804.db2.gz KUPKFFFDOYRAOT-IJLUTSLNSA-N 0 3 321.377 2.204 20 5 DEBDHN CN1C[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C(C)(C)C1 ZINC001303989489 1147341686 /nfs/dbraw/zinc/34/16/86/1147341686.db2.gz QGXLNAPGBIVYDI-CQSZACIVSA-N 0 3 316.361 2.146 20 5 DEBDHN Cc1ccc(CN2CC[C@@H](Nc3ccncc3[N+](=O)[O-])C2)cc1 ZINC001307192629 1147404966 /nfs/dbraw/zinc/40/49/66/1147404966.db2.gz ZUOMAWDWQVKHLA-OAHLLOKOSA-N 0 3 312.373 2.407 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001308067632 1147445210 /nfs/dbraw/zinc/44/52/10/1147445210.db2.gz JCOWGQWAKQVWDK-JTQLQIEISA-N 0 3 319.321 2.359 20 5 DEBDHN O=[N+]([O-])c1cc(I)cc(CNC2CC2)c1 ZINC000308899013 231096172 /nfs/dbraw/zinc/09/61/72/231096172.db2.gz BHPDRWMDSVKKFO-UHFFFAOYSA-N 0 3 318.114 2.451 20 5 DEBDHN Cc1c([C@@H](C)N[C@H]2CC(=O)N(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000090181163 185285464 /nfs/dbraw/zinc/28/54/64/185285464.db2.gz LVZPBCWRPKXVCQ-NEPJUHHUSA-N 0 3 303.362 2.317 20 5 DEBDHN CC[C@H](C)N1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000295637543 529700281 /nfs/dbraw/zinc/70/02/81/529700281.db2.gz CHGVKPXRZGBLOG-AWEZNQCLSA-N 0 3 307.394 2.390 20 5 DEBDHN C[C@@H](C(=O)N1CCN2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1F ZINC000185234722 282261072 /nfs/dbraw/zinc/26/10/72/282261072.db2.gz LEJKYQQABRTFQJ-DGCLKSJQSA-N 0 3 321.352 2.144 20 5 DEBDHN CN(C)CCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000181681474 199337665 /nfs/dbraw/zinc/33/76/65/199337665.db2.gz KHUMUCLNPVXHGH-UHFFFAOYSA-N 0 3 317.798 2.018 20 5 DEBDHN CN1CCN(CCC(C)(C)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000302240464 530072075 /nfs/dbraw/zinc/07/20/75/530072075.db2.gz HYYOQNWYMGDASM-UHFFFAOYSA-N 0 3 306.410 2.423 20 5 DEBDHN CCO[C@@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2)[C@]12CCCO2 ZINC000272635408 210036577 /nfs/dbraw/zinc/03/65/77/210036577.db2.gz BRPWLQQHYQNVAY-ARFHVFGLSA-N 0 3 306.362 2.411 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCO[C@H](C)C1 ZINC000170774577 197821314 /nfs/dbraw/zinc/82/13/14/197821314.db2.gz PCHUZRYGGXMMKM-CYBMUJFWSA-N 0 3 321.377 2.343 20 5 DEBDHN Cc1ccc(C(=O)N2CC[C@@H](N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000171449390 186161988 /nfs/dbraw/zinc/16/19/88/186161988.db2.gz UMRCSRFWVBZIPE-CQSZACIVSA-N 0 3 303.362 2.214 20 5 DEBDHN CCN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)CC(C)C ZINC000172170639 198051461 /nfs/dbraw/zinc/05/14/61/198051461.db2.gz QAHFKVZMDMOYMM-UHFFFAOYSA-N 0 3 305.378 2.462 20 5 DEBDHN O=[N+]([O-])c1cnn(CCN2CC[C@H](Cc3ccc(F)cc3)C2)c1 ZINC000174869144 198395129 /nfs/dbraw/zinc/39/51/29/198395129.db2.gz GTYKEFCVPRBBNB-CQSZACIVSA-N 0 3 318.352 2.495 20 5 DEBDHN COc1ccc([C@H](C)N(C)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000174815702 198389062 /nfs/dbraw/zinc/38/90/62/198389062.db2.gz HMTWKYHWBSGIBT-LBPRGKRZSA-N 0 3 304.350 2.493 20 5 DEBDHN O=C(c1ccc([N+](=O)[O-])s1)N1CCN(c2ccncc2)CC1 ZINC000024086631 354064161 /nfs/dbraw/zinc/06/41/61/354064161.db2.gz NRLGHSACUZWYFY-UHFFFAOYSA-N 0 3 318.358 2.014 20 5 DEBDHN CC(C)[C@@H](O)CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236776509 202003280 /nfs/dbraw/zinc/00/32/80/202003280.db2.gz VDAIMMJFVBNACP-HNNXBMFYSA-N 0 3 318.377 2.102 20 5 DEBDHN O=[N+]([O-])c1c(N2CCN(C3CCCC3)CC2)nc2sccn21 ZINC000045026696 354246683 /nfs/dbraw/zinc/24/66/83/354246683.db2.gz OZIWYXFMUNSQCJ-UHFFFAOYSA-N 0 3 321.406 2.369 20 5 DEBDHN O=C(NCC1CC1)[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000047984084 354336992 /nfs/dbraw/zinc/33/69/92/354336992.db2.gz INUMAALRKCFZDG-HNNXBMFYSA-N 0 3 317.389 2.333 20 5 DEBDHN COC[C@@](C)(O)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000069912045 354880611 /nfs/dbraw/zinc/88/06/11/354880611.db2.gz RLEGDOZBNVFPKM-INIZCTEOSA-N 0 3 320.345 2.342 20 5 DEBDHN O=[N+]([O-])c1cccc(N2CCN([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000089885922 355546005 /nfs/dbraw/zinc/54/60/05/355546005.db2.gz GWGZXOGMHFRPHM-HZPDHXFCSA-N 0 3 305.378 2.020 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(N2CCN([C@@H]3CCCN(C)C3)CC2)c1 ZINC000088723438 355518125 /nfs/dbraw/zinc/51/81/25/355518125.db2.gz SCZPKAGMJOTWNE-OAHLLOKOSA-N 0 3 318.421 2.119 20 5 DEBDHN C[C@@H](CN(C)CCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000090525398 355563032 /nfs/dbraw/zinc/56/30/32/355563032.db2.gz LXWUDILOWSHSTN-AWEZNQCLSA-N 0 3 315.373 2.492 20 5 DEBDHN COC1CCN(CCN[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000163618497 355972913 /nfs/dbraw/zinc/97/29/13/355972913.db2.gz JQYAEJMGTRBWCK-ZDUSSCGKSA-N 0 3 307.394 2.356 20 5 DEBDHN CC[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000182298154 356119570 /nfs/dbraw/zinc/11/95/70/356119570.db2.gz FFYFBTXLURBYSX-BXUZGUMPSA-N 0 3 307.350 2.081 20 5 DEBDHN Cc1cc(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n[nH]1 ZINC000618569258 363531277 /nfs/dbraw/zinc/53/12/77/363531277.db2.gz ZYUUCSGRANVLHV-QWHCGFSZSA-N 0 3 304.354 2.096 20 5 DEBDHN Cc1cc(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)[nH]n1 ZINC000618569258 363531280 /nfs/dbraw/zinc/53/12/80/363531280.db2.gz ZYUUCSGRANVLHV-QWHCGFSZSA-N 0 3 304.354 2.096 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)N2CCCC2)c1 ZINC000579027226 356910567 /nfs/dbraw/zinc/91/05/67/356910567.db2.gz WVEZLNWYRXEVOM-GFCCVEGCSA-N 0 3 321.377 2.208 20 5 DEBDHN CCC(=O)N1CC[C@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000580844102 357089898 /nfs/dbraw/zinc/08/98/98/357089898.db2.gz LYIRRCBVNNCPDK-SMDDNHRTSA-N 0 3 303.362 2.183 20 5 DEBDHN C[C@H]([C@H](C)N[C@@H]1CCc2c1cccc2[N+](=O)[O-])N1CCOCC1 ZINC000581260554 357159126 /nfs/dbraw/zinc/15/91/26/357159126.db2.gz JHZVMFWWLJDOHH-WOSRLPQWSA-N 0 3 319.405 2.281 20 5 DEBDHN O=[N+]([O-])c1ccc(CN[C@@H]([C@H]2CCCO2)C2(CO)CCC2)cc1 ZINC000589521052 357476918 /nfs/dbraw/zinc/47/69/18/357476918.db2.gz AUXFUZBGIQKBPB-CVEARBPZSA-N 0 3 320.389 2.395 20 5 DEBDHN CCOC(=O)Cc1ccc(NCC2(N(C)C)CC2)c([N+](=O)[O-])c1 ZINC000591953803 357804564 /nfs/dbraw/zinc/80/45/64/357804564.db2.gz GIYBVPVFGKBOGZ-UHFFFAOYSA-N 0 3 321.377 2.207 20 5 DEBDHN CC(C)(NCCn1cc([N+](=O)[O-])ccc1=O)c1cccc(F)c1 ZINC000179566012 199055545 /nfs/dbraw/zinc/05/55/45/199055545.db2.gz JJVCUJYJMYLRQQ-UHFFFAOYSA-N 0 3 319.336 2.421 20 5 DEBDHN CCCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C)C1 ZINC000592833317 357954326 /nfs/dbraw/zinc/95/43/26/357954326.db2.gz YLSGOTOARFORNS-OAHLLOKOSA-N 0 3 305.378 2.080 20 5 DEBDHN COC(=O)[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@H]1C1CC1 ZINC000593127103 358017495 /nfs/dbraw/zinc/01/74/95/358017495.db2.gz RLWRCYVQXYHOKT-LSDHHAIUSA-N 0 3 304.346 2.226 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])cc1CNCC[C@]1(O)CCCOC1 ZINC000593691232 358124230 /nfs/dbraw/zinc/12/42/30/358124230.db2.gz MMFAZTKBHXREEU-MRXNPFEDSA-N 0 3 324.377 2.015 20 5 DEBDHN CCCN(C(=O)Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCN(C)C1 ZINC000593748573 358136246 /nfs/dbraw/zinc/13/62/46/358136246.db2.gz JRJPKNSOFZLTQG-CQSZACIVSA-N 0 3 323.368 2.219 20 5 DEBDHN O=[N+]([O-])c1cccc(-n2cc(CCN3CCCCC3)nn2)c1 ZINC000594640626 358307877 /nfs/dbraw/zinc/30/78/77/358307877.db2.gz JSRPXBNNTABWPQ-UHFFFAOYSA-N 0 3 301.350 2.204 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCc1ccn(C)n1 ZINC000595034820 358381242 /nfs/dbraw/zinc/38/12/42/358381242.db2.gz YDCNNYSPJUHBGG-NSHDSACASA-N 0 3 304.350 2.230 20 5 DEBDHN CCn1cc(CN[C@@H](C)CCc2ccccc2[N+](=O)[O-])nn1 ZINC000595068298 358386655 /nfs/dbraw/zinc/38/66/55/358386655.db2.gz JHFIJEQKYNHFKP-LBPRGKRZSA-N 0 3 303.366 2.317 20 5 DEBDHN CCCN1CC[C@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000595804668 358552572 /nfs/dbraw/zinc/55/25/72/358552572.db2.gz BSKXQQGKNSNIMO-AWEZNQCLSA-N 0 3 320.393 2.221 20 5 DEBDHN C[C@H](CN1CCC(C)CC1)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000596488847 358697491 /nfs/dbraw/zinc/69/74/91/358697491.db2.gz SHFJADJJXIHSIT-GFCCVEGCSA-N 0 3 320.393 2.226 20 5 DEBDHN CC(C)(C)N1CC[C@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000597925935 359044529 /nfs/dbraw/zinc/04/45/29/359044529.db2.gz YQHRDODYFQPXGS-ZDUSSCGKSA-N 0 3 323.368 2.265 20 5 DEBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000598262873 359140401 /nfs/dbraw/zinc/14/04/01/359140401.db2.gz NBBWBTNOTBSMAU-LBPRGKRZSA-N 0 3 320.393 2.027 20 5 DEBDHN O=[N+]([O-])c1cc(NCCN2CC[C@@H](O)C2)ccc1C(F)(F)F ZINC000599176753 359426047 /nfs/dbraw/zinc/42/60/47/359426047.db2.gz WPVCACJFDJFMHA-SNVBAGLBSA-N 0 3 319.283 2.092 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCN(C)CC(F)F ZINC000599095016 359401710 /nfs/dbraw/zinc/40/17/10/359401710.db2.gz OOEZBCHWBLWEPX-SNVBAGLBSA-N 0 3 317.336 2.451 20 5 DEBDHN CCN(C)C(=O)CN[C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000186814206 200015342 /nfs/dbraw/zinc/01/53/42/200015342.db2.gz QEVNONVLYIGNIF-UKRRQHHQSA-N 0 3 319.405 2.374 20 5 DEBDHN CCN1CCCC[C@H]1CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601149401 359942855 /nfs/dbraw/zinc/94/28/55/359942855.db2.gz JXONCZJWQVXIJV-NSHDSACASA-N 0 3 309.341 2.338 20 5 DEBDHN O=[N+]([O-])c1ccc(N2CCN(CC3CCSCC3)CC2)cn1 ZINC000602437878 360372488 /nfs/dbraw/zinc/37/24/88/360372488.db2.gz FBWQUMPFGRIILQ-UHFFFAOYSA-N 0 3 322.434 2.255 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1CNCCCc1cnn(C)c1 ZINC000602554817 360430405 /nfs/dbraw/zinc/43/04/05/360430405.db2.gz YHDSYFOPYVTNON-UHFFFAOYSA-N 0 3 304.350 2.059 20 5 DEBDHN C[C@H](CCO)NCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602556175 360431285 /nfs/dbraw/zinc/43/12/85/360431285.db2.gz IYSKJDLVYONJOV-ZCFIWIBFSA-N 0 3 309.185 2.279 20 5 DEBDHN CO[C@H](CNCc1cccc([N+](=O)[O-])c1C)C1CCOCC1 ZINC000602633946 360469487 /nfs/dbraw/zinc/46/94/87/360469487.db2.gz MVGSAFLMSDBMJK-MRXNPFEDSA-N 0 3 308.378 2.434 20 5 DEBDHN CCO[C@@H]1C[C@H](N(C)CCn2c(C)ncc2[N+](=O)[O-])C12CCC2 ZINC000602783904 360552658 /nfs/dbraw/zinc/55/26/58/360552658.db2.gz HRPKKQMFODUVBX-UONOGXRCSA-N 0 3 322.409 2.379 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000602900971 360616993 /nfs/dbraw/zinc/61/69/93/360616993.db2.gz PVCCEMNJNQBXCJ-LSDHHAIUSA-N 0 3 322.409 2.381 20 5 DEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC1(N(C)C)CC1 ZINC000603016099 360667649 /nfs/dbraw/zinc/66/76/49/360667649.db2.gz QKOJXDRPZSGAQE-UHFFFAOYSA-N 0 3 306.366 2.373 20 5 DEBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NCC2=CCN(C)CC2)c1 ZINC000271900891 209309486 /nfs/dbraw/zinc/30/94/86/209309486.db2.gz PYKZUUIPRSMWOR-UHFFFAOYSA-N 0 3 321.402 2.308 20 5 DEBDHN CO[C@@H]1C[C@@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1(C)C ZINC000610652074 361437433 /nfs/dbraw/zinc/43/74/33/361437433.db2.gz WYGCZMKBRWLKGB-HUUCEWRRSA-N 0 3 322.361 2.269 20 5 DEBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])s2)CC[C@@H]1N1CCN(C)CC1 ZINC000611204563 361547751 /nfs/dbraw/zinc/54/77/51/361547751.db2.gz VZRZBOSLSWBSAX-OLZOCXBDSA-N 0 3 324.450 2.119 20 5 DEBDHN C[C@@H]1CN(c2sccc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000611414303 361595847 /nfs/dbraw/zinc/59/58/47/361595847.db2.gz QZIIWCMKGJPOAZ-OLZOCXBDSA-N 0 3 324.450 2.119 20 5 DEBDHN CCn1cnnc1CCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000611336054 361581839 /nfs/dbraw/zinc/58/18/39/361581839.db2.gz ZDUKMFBOIKOTSD-GFCCVEGCSA-N 0 3 303.366 2.408 20 5 DEBDHN CN(C)C[C@H](CO)NC(=O)c1cc2ccccc2c2cccnc12 ZINC000673522688 541117120 /nfs/dbraw/zinc/11/71/20/541117120.db2.gz SHWKECGFWARVGJ-CQSZACIVSA-N 0 3 323.396 2.040 20 5 DEBDHN CC[C@H]1CN(C)CCCN1C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000619578387 363832912 /nfs/dbraw/zinc/83/29/12/363832912.db2.gz HCXGYACJXOCQMP-ZDUSSCGKSA-N 0 3 305.378 2.460 20 5 DEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000275485767 212364781 /nfs/dbraw/zinc/36/47/81/212364781.db2.gz FHUSFJZDBOAEII-UONOGXRCSA-N 0 3 321.421 2.433 20 5 DEBDHN CC(C)N1C[C@@H](N[C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1=O ZINC000449155559 240136414 /nfs/dbraw/zinc/13/64/14/240136414.db2.gz LZSNLUPQOXJECY-JSGCOSHPSA-N 0 3 305.378 2.125 20 5 DEBDHN O=[N+]([O-])c1ccc([C@H]2CCCN(CCn3cncn3)C2)cc1 ZINC000451542798 243089008 /nfs/dbraw/zinc/08/90/08/243089008.db2.gz AFPURDMKWWWKEZ-AWEZNQCLSA-N 0 3 301.350 2.066 20 5 DEBDHN O=[N+]([O-])c1ccc([C@@H]2CCCN(CCn3cncn3)C2)cc1 ZINC000451542800 243092304 /nfs/dbraw/zinc/09/23/04/243092304.db2.gz AFPURDMKWWWKEZ-CQSZACIVSA-N 0 3 301.350 2.066 20 5 DEBDHN O=[N+]([O-])c1ccc([C@@H]2CCCN(C[C@H]3COCCO3)C2)cc1 ZINC000451549258 243100265 /nfs/dbraw/zinc/10/02/65/243100265.db2.gz PKLRSKBARHHRTA-ZBFHGGJFSA-N 0 3 306.362 2.190 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1CN[C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000451611159 243198937 /nfs/dbraw/zinc/19/89/37/243198937.db2.gz LFBJFCUUTGGOGJ-RDJZCZTQSA-N 0 3 320.389 2.490 20 5 DEBDHN O=[N+]([O-])c1ccccc1OCCN1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451703296 243333700 /nfs/dbraw/zinc/33/37/00/243333700.db2.gz JHKVRMYPHYDKKK-KFWWJZLASA-N 0 3 320.389 2.457 20 5 DEBDHN Cc1ccc(CN2CC[C@@H](CN3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000093664329 193286065 /nfs/dbraw/zinc/28/60/65/193286065.db2.gz CXQUGOFSKRFAGJ-INIZCTEOSA-N 0 3 319.405 2.057 20 5 DEBDHN CCO[C@@H]1C[C@H](NC/C=C/c2ccccc2[N+](=O)[O-])[C@H]1OC ZINC000274983216 212056682 /nfs/dbraw/zinc/05/66/82/212056682.db2.gz XWKWORZHVRJNBT-SJGALKEESA-N 0 3 306.362 2.390 20 5 DEBDHN O=[N+]([O-])c1ccc(OCCN2CCN(C3CCC3)CC2)cc1 ZINC000264953078 204298308 /nfs/dbraw/zinc/29/83/08/204298308.db2.gz CLEOSVZLVBHXKY-UHFFFAOYSA-N 0 3 305.378 2.144 20 5 DEBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CCCN1C1CC1 ZINC000282505969 217048775 /nfs/dbraw/zinc/04/87/75/217048775.db2.gz OBLINMASHRIBJU-INIZCTEOSA-N 0 3 317.389 2.223 20 5 DEBDHN CCN1CCCC[C@@H]1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000266083624 205084598 /nfs/dbraw/zinc/08/45/98/205084598.db2.gz DSUVZMPCQIKQFQ-OAHLLOKOSA-N 0 3 305.378 2.128 20 5 DEBDHN O=[N+]([O-])c1cccc(CNC[C@H]2CCC3(CCOCC3)[C@@H]2O)c1 ZINC000282935385 217336660 /nfs/dbraw/zinc/33/66/60/217336660.db2.gz WWWVXQAWPZSRSP-GDBMZVCRSA-N 0 3 320.389 2.252 20 5 DEBDHN COc1cc(C(=O)NCCN2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000160258303 197395983 /nfs/dbraw/zinc/39/59/83/197395983.db2.gz DIMDMQUULGWHIX-GFCCVEGCSA-N 0 3 321.377 2.065 20 5 DEBDHN C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c3nonc32)CN1C1CC1 ZINC000267868960 206312079 /nfs/dbraw/zinc/31/20/79/206312079.db2.gz LDJYYGYXXVBNSJ-DTWKUNHWSA-N 0 3 303.322 2.168 20 5 DEBDHN C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c3nonc32)CN1C1CC1 ZINC000267868961 206312639 /nfs/dbraw/zinc/31/26/39/206312639.db2.gz LDJYYGYXXVBNSJ-IUCAKERBSA-N 0 3 303.322 2.168 20 5 DEBDHN CN(C)C/C=C/C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000493244126 249258100 /nfs/dbraw/zinc/25/81/00/249258100.db2.gz YTRJJPSTOBXPMZ-CSPWOOARSA-N 0 3 317.389 2.419 20 5 DEBDHN CCN1CCCN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000105347719 194099221 /nfs/dbraw/zinc/09/92/21/194099221.db2.gz JSJJJJYXWBDXBB-UHFFFAOYSA-N 0 3 306.366 2.463 20 5 DEBDHN C[C@@H](CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)N(C)C1CC1 ZINC000057717942 184049935 /nfs/dbraw/zinc/04/99/35/184049935.db2.gz GBESNQZFSJRAIH-DJTWPOEFSA-N 0 3 303.362 2.207 20 5 DEBDHN C[C@@H](CNC(=O)/C=C/c1ccccc1[N+](=O)[O-])N(C)C1CC1 ZINC000057718131 184050012 /nfs/dbraw/zinc/05/00/12/184050012.db2.gz OAMVIMIYKCCNFK-PMDBQALLSA-N 0 3 303.362 2.207 20 5 DEBDHN O=[N+]([O-])c1ccc(CNC2CCN(c3cnccn3)CC2)cc1 ZINC000539091900 285068986 /nfs/dbraw/zinc/06/89/86/285068986.db2.gz SETIQNXVSKNBGG-UHFFFAOYSA-N 0 3 313.361 2.143 20 5 DEBDHN C[C@]1(NC[C@@H](O)c2cccc([N+](=O)[O-])c2)CCO[C@H]1C1CC1 ZINC000273014245 210393531 /nfs/dbraw/zinc/39/35/31/210393531.db2.gz CNJOVGBGRPANHM-PMPSAXMXSA-N 0 3 306.362 2.175 20 5 DEBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000157260591 197174217 /nfs/dbraw/zinc/17/42/17/197174217.db2.gz SNDCKYJXGBDEBB-ABAIWWIYSA-N 0 3 321.352 2.290 20 5 DEBDHN COc1ccc(CNCCc2nnc(C)s2)cc1[N+](=O)[O-] ZINC000289972657 221352108 /nfs/dbraw/zinc/35/21/08/221352108.db2.gz WECMQPUYRHKCLK-UHFFFAOYSA-N 0 3 308.363 2.096 20 5 DEBDHN C[C@H](NC(=O)NC1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000296603531 533625969 /nfs/dbraw/zinc/62/59/69/533625969.db2.gz YASSRHZUXBVYMQ-NSHDSACASA-N 0 3 306.366 2.049 20 5 DEBDHN C[C@H]1C[C@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CCN1C ZINC000340696302 132161116 /nfs/dbraw/zinc/16/11/16/132161116.db2.gz LGZXXOYEBRJONC-QWHCGFSZSA-N 0 3 319.405 2.471 20 5 DEBDHN CCCN(CCN(C)C)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000355327710 133017818 /nfs/dbraw/zinc/01/78/18/133017818.db2.gz YOSKTVHIWZOGBJ-UHFFFAOYSA-N 0 3 318.377 2.490 20 5 DEBDHN COC(=O)COc1ccc(CN(C)CC(C)C)cc1[N+](=O)[O-] ZINC000355582104 133035058 /nfs/dbraw/zinc/03/50/58/133035058.db2.gz JWOGJEXHUXKACU-UHFFFAOYSA-N 0 3 310.350 2.234 20 5 DEBDHN CNc1c(C(=O)N[C@H]2CCCN(C(C)C)C2)cccc1[N+](=O)[O-] ZINC000564586532 292100907 /nfs/dbraw/zinc/10/09/07/292100907.db2.gz RQALUVRMPXVNRA-LBPRGKRZSA-N 0 3 320.393 2.239 20 5 DEBDHN C[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C)C1 ZINC000246685198 145110950 /nfs/dbraw/zinc/11/09/50/145110950.db2.gz JAJCIGWDAACMIR-ZIAGYGMSSA-N 0 3 319.405 2.374 20 5 DEBDHN CCN1CCC(Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000322148247 145377587 /nfs/dbraw/zinc/37/75/87/145377587.db2.gz DFQSSMYCSFKOJN-UHFFFAOYSA-N 0 3 318.377 2.376 20 5 DEBDHN C[C@@H]1C[C@H]1N1CCN(C(=O)c2csc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000346165070 146028852 /nfs/dbraw/zinc/02/88/52/146028852.db2.gz DRTMVBCWGGBYPS-DMDPSCGWSA-N 0 3 323.418 2.459 20 5 DEBDHN CC(=O)N1CC(N[C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000565218810 292148054 /nfs/dbraw/zinc/14/80/54/292148054.db2.gz PCUOQIOWYDZEKX-XJKSGUPXSA-N 0 3 317.389 2.126 20 5 DEBDHN C[C@H](C(=O)NCCN(C)C1CC1)c1ccc([N+](=O)[O-])cc1F ZINC000348011023 146211409 /nfs/dbraw/zinc/21/14/09/146211409.db2.gz KNVSPHDEKJQETL-JTQLQIEISA-N 0 3 309.341 2.048 20 5 DEBDHN CCS[C@@H]1CCC[C@@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000348474057 146275808 /nfs/dbraw/zinc/27/58/08/146275808.db2.gz AHRAUFGQUKTAKM-GXTWGEPZSA-N 0 3 323.418 2.458 20 5 DEBDHN CN1CC[C@@](O)(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000358307735 147109959 /nfs/dbraw/zinc/10/99/59/147109959.db2.gz OFWTWLAYAAGGNS-GFCCVEGCSA-N 0 3 319.283 2.092 20 5 DEBDHN CC(C)N1C[C@@H](C)[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000358407263 147127679 /nfs/dbraw/zinc/12/76/79/147127679.db2.gz FTNXCVNZBHHRMM-IAQYHMDHSA-N 0 3 323.368 2.121 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000374882100 148300833 /nfs/dbraw/zinc/30/08/33/148300833.db2.gz PJNDUMSHZATFGX-IUODEOHRSA-N 0 3 303.362 2.069 20 5 DEBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@H](N2CCCC2)C1 ZINC000408327752 148589322 /nfs/dbraw/zinc/58/93/22/148589322.db2.gz GRKQCAOHWFBXON-ZDUSSCGKSA-N 0 3 307.398 2.184 20 5 DEBDHN CCCCN(C)CCNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000112447017 401746003 /nfs/dbraw/zinc/74/60/03/401746003.db2.gz PLFGDQRWQZEBPX-UHFFFAOYSA-N 0 3 308.382 2.126 20 5 DEBDHN CC(=O)c1ccc(N2CC[C@H](N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000072089578 401702633 /nfs/dbraw/zinc/70/26/33/401702633.db2.gz AOXSISDSXVFMES-AWEZNQCLSA-N 0 3 303.362 2.472 20 5 DEBDHN CCOc1ccc(C(=O)NC[C@@H]2CCCN2CC)cc1[N+](=O)[O-] ZINC000072595131 401711313 /nfs/dbraw/zinc/71/13/13/401711313.db2.gz BUIHCAICNMQNFF-ZDUSSCGKSA-N 0 3 321.377 2.208 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](CC(C)C)N(C)C)c1 ZINC000114376531 401797563 /nfs/dbraw/zinc/79/75/63/401797563.db2.gz DVWXZLOHZRXITH-GFCCVEGCSA-N 0 3 323.393 2.310 20 5 DEBDHN CC[C@@H]1CN(C)CCN1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000566139201 292209452 /nfs/dbraw/zinc/20/94/52/292209452.db2.gz KAFDXBLJJJDFDK-CYBMUJFWSA-N 0 3 323.393 2.008 20 5 DEBDHN CC[C@H]1CN(C)CCN1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000566139202 292209472 /nfs/dbraw/zinc/20/94/72/292209472.db2.gz KAFDXBLJJJDFDK-ZDUSSCGKSA-N 0 3 323.393 2.008 20 5 DEBDHN CN1CCC(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000079975877 401885473 /nfs/dbraw/zinc/88/54/73/401885473.db2.gz HYGKTVLYAJMCKM-UHFFFAOYSA-N 0 3 305.378 2.288 20 5 DEBDHN COc1ccc(OCCN2[C@H](C)CCC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000122351536 402074771 /nfs/dbraw/zinc/07/47/71/402074771.db2.gz GZHGLGVAARIOQI-OLZOCXBDSA-N 0 3 324.377 2.218 20 5 DEBDHN Cc1c([C@H](C)NC[C@H](C)N2CCOCC2)cccc1[N+](=O)[O-] ZINC000123376924 402124416 /nfs/dbraw/zinc/12/44/16/402124416.db2.gz CPCRYMYXZDJIMA-JSGCOSHPSA-N 0 3 307.394 2.275 20 5 DEBDHN O=[N+]([O-])c1ccn(CCN2CCC(OC3CCCC3)CC2)n1 ZINC000176222371 402292096 /nfs/dbraw/zinc/29/20/96/402292096.db2.gz SQCWEJDDKNDDLX-UHFFFAOYSA-N 0 3 308.382 2.215 20 5 DEBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCCOC[C@@H]1CCCO1 ZINC000566474682 292245279 /nfs/dbraw/zinc/24/52/79/292245279.db2.gz IFYWBIHFOIGZDF-SWLSCSKDSA-N 0 3 306.362 2.367 20 5 DEBDHN CN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(C)C1 ZINC000255568199 402691272 /nfs/dbraw/zinc/69/12/72/402691272.db2.gz YMKHTTIILQEAFI-XMELGKRDSA-N 0 3 303.362 2.161 20 5 DEBDHN Cc1c(CN2CCC(CCC(N)=O)CC2)cccc1[N+](=O)[O-] ZINC000271269301 402851134 /nfs/dbraw/zinc/85/11/34/402851134.db2.gz WVZLIUVTBJWECZ-UHFFFAOYSA-N 0 3 305.378 2.381 20 5 DEBDHN Cc1n[nH]cc1CN[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000271492915 402876561 /nfs/dbraw/zinc/87/65/61/402876561.db2.gz MACOAIIKWNGBFS-SNVBAGLBSA-N 0 3 317.349 2.133 20 5 DEBDHN CS[C@@H]1CN(C(=O)c2c(C)cccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000278859528 402878955 /nfs/dbraw/zinc/87/89/55/402878955.db2.gz XBFUXABLKBEHJS-QWHCGFSZSA-N 0 3 323.418 2.021 20 5 DEBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000272206006 402909539 /nfs/dbraw/zinc/90/95/39/402909539.db2.gz QNVOCVRJIQHKED-SNVBAGLBSA-N 0 3 311.407 2.459 20 5 DEBDHN CC1(C)CN(CCc2ccc([N+](=O)[O-])cc2)C[C@@]2(CCOC2)O1 ZINC000280250539 402979720 /nfs/dbraw/zinc/97/97/20/402979720.db2.gz BKLYPTIMKLPJMQ-QGZVFWFLSA-N 0 3 320.389 2.407 20 5 DEBDHN CN1CCN(CCNc2cccc(F)c2[N+](=O)[O-])CC1(C)C ZINC000281682500 403081678 /nfs/dbraw/zinc/08/16/78/403081678.db2.gz QZIHLMJSPHHQRX-UHFFFAOYSA-N 0 3 310.373 2.172 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(N2CCN(CC(C)(C)O)C[C@H]2C)c1 ZINC000275845856 403127978 /nfs/dbraw/zinc/12/79/78/403127978.db2.gz QUDMVYVYRSHEFR-CYBMUJFWSA-N 0 3 307.394 2.185 20 5 DEBDHN CC(C)N(CCN(C)C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000269749905 403163521 /nfs/dbraw/zinc/16/35/21/403163521.db2.gz ZOVNTZDECOVZCX-UHFFFAOYSA-N 0 3 322.409 2.119 20 5 DEBDHN COc1ccc(OCCN2CC[C@H](OC)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000282228048 403134503 /nfs/dbraw/zinc/13/45/03/403134503.db2.gz FKHLUKNDWWNSKF-JSGCOSHPSA-N 0 3 324.377 2.482 20 5 DEBDHN CN(C)C1(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CCC1 ZINC000275998558 403137942 /nfs/dbraw/zinc/13/79/42/403137942.db2.gz OLDMJHAUOINDIY-UHFFFAOYSA-N 0 3 311.769 2.462 20 5 DEBDHN CO[C@@]1(C)C[C@@H](NCC(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC000269506961 403144789 /nfs/dbraw/zinc/14/47/89/403144789.db2.gz ZHTMGZFRFBWRKK-CJNGLKHVSA-N 0 3 321.377 2.327 20 5 DEBDHN C[C@H](NCC1(N2CCOCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000277506300 403224882 /nfs/dbraw/zinc/22/48/82/403224882.db2.gz MWMJNXLEZYNQNN-ZDUSSCGKSA-N 0 3 305.378 2.110 20 5 DEBDHN O=[N+]([O-])c1ccccc1CNC1CCN(c2cccnn2)CC1 ZINC000277629896 403239075 /nfs/dbraw/zinc/23/90/75/403239075.db2.gz KRNDXHDCXMHNIR-UHFFFAOYSA-N 0 3 313.361 2.143 20 5 DEBDHN O=[N+]([O-])c1cccc(CN[C@H](CO)C[C@@H](O)c2ccccc2)c1 ZINC000269925400 403176013 /nfs/dbraw/zinc/17/60/13/403176013.db2.gz LWSUBRKZQIVSML-DOTOQJQBSA-N 0 3 316.357 2.169 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@@H]2CCN(C)C2)c1 ZINC000283977197 403236096 /nfs/dbraw/zinc/23/60/96/403236096.db2.gz MODXSJFLPQDSDU-GFCCVEGCSA-N 0 3 321.377 2.017 20 5 DEBDHN CC(C)c1ccc(CNC2(CO)CCOCC2)cc1[N+](=O)[O-] ZINC000330679413 403302992 /nfs/dbraw/zinc/30/29/92/403302992.db2.gz XNRHZRXHTAKQDV-UHFFFAOYSA-N 0 3 308.378 2.349 20 5 DEBDHN C[C@@H](NC[C@H]1CCCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000284204025 403253667 /nfs/dbraw/zinc/25/36/67/403253667.db2.gz SQNXAKOUAJKHHR-VXGBXAGGSA-N 0 3 312.391 2.070 20 5 DEBDHN C[C@H](N[C@@H]1C[C@H](C)N(C2CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284228015 403255643 /nfs/dbraw/zinc/25/56/43/403255643.db2.gz ULWUKUOQVYKPFE-GMXVVIOVSA-N 0 3 304.394 2.453 20 5 DEBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000285646696 403348259 /nfs/dbraw/zinc/34/82/59/403348259.db2.gz DNJVKOCZPCLTOG-WCQYABFASA-N 0 3 321.352 2.433 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000345487319 403352603 /nfs/dbraw/zinc/35/26/03/403352603.db2.gz YLGCQWOUKRNSKP-TXEJJXNPSA-N 0 3 321.377 2.092 20 5 DEBDHN Cc1c(CNC(=O)CN2[C@H](C)CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000331151255 403339987 /nfs/dbraw/zinc/33/99/87/403339987.db2.gz XDXIVPOZQYNMOH-VXGBXAGGSA-N 0 3 305.378 2.392 20 5 DEBDHN COc1cc(CNC[C@H](OC)C2CC2)c([N+](=O)[O-])cc1OC ZINC000293194243 403412700 /nfs/dbraw/zinc/41/27/00/403412700.db2.gz XHTDUHUZSJIYBA-HNNXBMFYSA-N 0 3 310.350 2.127 20 5 DEBDHN Cc1ccc([C@@H](C)NC(=O)[C@H](N)CC(F)F)cc1[N+](=O)[O-] ZINC000345698442 403442509 /nfs/dbraw/zinc/44/25/09/403442509.db2.gz SOIJEYSRROBTKF-PSASIEDQSA-N 0 3 301.293 2.063 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCc1ncc(C)cn1 ZINC000340103203 403549522 /nfs/dbraw/zinc/54/95/22/403549522.db2.gz FAFJYUZLRLASFD-UHFFFAOYSA-N 0 3 316.361 2.424 20 5 DEBDHN C[C@H]1[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCCN1C ZINC000343470846 403603608 /nfs/dbraw/zinc/60/36/08/403603608.db2.gz YEDBAVSSYCVWRG-TVQRCGJNSA-N 0 3 311.769 2.461 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)CN2CCCCC2)c1 ZINC000130124899 286381589 /nfs/dbraw/zinc/38/15/89/286381589.db2.gz WSOWNDQJZBFMCU-LBPRGKRZSA-N 0 3 321.377 2.208 20 5 DEBDHN C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CCN(C2CC2)C1 ZINC000295279349 403828396 /nfs/dbraw/zinc/82/83/96/403828396.db2.gz HNRGPTODSHHRBR-GFCCVEGCSA-N 0 3 303.362 2.151 20 5 DEBDHN Cc1c(CNC(C)(C)CN2CCOCC2)cccc1[N+](=O)[O-] ZINC000308647398 403960054 /nfs/dbraw/zinc/96/00/54/403960054.db2.gz KZXMFQOJLQKODB-UHFFFAOYSA-N 0 3 307.394 2.104 20 5 DEBDHN O=C(N[C@H]1CCN(C2CC2)C1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411618292 403913945 /nfs/dbraw/zinc/91/39/45/403913945.db2.gz LMCLKTKTGWODRK-VBNZEHGJSA-N 0 3 315.373 2.051 20 5 DEBDHN COC(=O)[C@]1(C)CN(CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000337418878 404010762 /nfs/dbraw/zinc/01/07/62/404010762.db2.gz AKCZDECAXGGYLA-MLGOLLRUSA-N 0 3 322.361 2.105 20 5 DEBDHN O=[N+]([O-])c1cc(Cl)ccc1CN[C@H](CO)[C@H]1CCCOC1 ZINC000411985455 404045761 /nfs/dbraw/zinc/04/57/61/404045761.db2.gz DNFPSEOWYYCMIZ-WCQYABFASA-N 0 3 314.769 2.125 20 5 DEBDHN CC1(C)CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]1C1CC1 ZINC000290785709 404311632 /nfs/dbraw/zinc/31/16/32/404311632.db2.gz NPYRDVBHRUUPJN-HOCLYGCPSA-N 0 3 320.389 2.455 20 5 DEBDHN COC[C@@](C)(CC(=O)OC)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000350313047 404365711 /nfs/dbraw/zinc/36/57/11/404365711.db2.gz DYKHAROEVXVSLE-QKIRZYONSA-N 0 3 322.361 2.166 20 5 DEBDHN CCCCN(C)CCNC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000356007808 404386546 /nfs/dbraw/zinc/38/65/46/404386546.db2.gz HYMRTLPZOAAPFD-UHFFFAOYSA-N 0 3 309.366 2.065 20 5 DEBDHN COC(=O)COc1ccc(CN[C@H]2CCC2(C)C)cc1[N+](=O)[O-] ZINC000342245944 404465967 /nfs/dbraw/zinc/46/59/67/404465967.db2.gz ZPVLYONZBUHNCV-AWEZNQCLSA-N 0 3 322.361 2.425 20 5 DEBDHN Cc1ccc(CNCCC(C)(C)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000414519409 404665020 /nfs/dbraw/zinc/66/50/20/404665020.db2.gz UIYJVPCUEXYOQU-UHFFFAOYSA-N 0 3 314.407 2.206 20 5 DEBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000342469668 404599424 /nfs/dbraw/zinc/59/94/24/404599424.db2.gz LVUIIAJYJLCXJF-YMTOWFKASA-N 0 3 323.780 2.461 20 5 DEBDHN COc1cc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@H]2C)c([N+](=O)[O-])cc1[O-] ZINC000414523616 404666585 /nfs/dbraw/zinc/66/65/85/404666585.db2.gz YOIRMVONJCMLJC-VWYCJHECSA-N 0 3 310.350 2.212 20 5 DEBDHN COc1c(C(=O)N[C@H]2CCCN(C(C)C)C2)cccc1[N+](=O)[O-] ZINC000356812766 404698851 /nfs/dbraw/zinc/69/88/51/404698851.db2.gz LOZQDHZKEPXMOU-LBPRGKRZSA-N 0 3 321.377 2.206 20 5 DEBDHN Cc1c(NC(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)cccc1[N+](=O)[O-] ZINC000414699091 404711179 /nfs/dbraw/zinc/71/11/79/404711179.db2.gz JGABYADINUOCEV-ZYHUDNBSSA-N 0 3 322.365 2.138 20 5 DEBDHN C[C@H]1CN(C)C[C@@H]1c1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000361007973 404876610 /nfs/dbraw/zinc/87/66/10/404876610.db2.gz CMSZMVZUTXXOBA-JQWIXIFHSA-N 0 3 302.334 2.234 20 5 DEBDHN CN(C)CCOC1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000353530279 404858442 /nfs/dbraw/zinc/85/84/42/404858442.db2.gz LPZUNSISOFXQQI-UHFFFAOYSA-N 0 3 313.423 2.199 20 5 DEBDHN Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2CCN(C)C3)cc1[N+](=O)[O-] ZINC000556966457 405564022 /nfs/dbraw/zinc/56/40/22/405564022.db2.gz ZXMFHNVAOOAPSN-UONOGXRCSA-N 0 3 303.362 2.212 20 5 DEBDHN CCN1C[C@H](NC/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1=O ZINC000449518023 405592889 /nfs/dbraw/zinc/59/28/89/405592889.db2.gz MEHNETMKNBMXNX-WEKMIXOTSA-N 0 3 303.362 2.209 20 5 DEBDHN CSc1ccc(C(=O)N(C)C[C@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000421699508 405593642 /nfs/dbraw/zinc/59/36/42/405593642.db2.gz BKQVYWMIJMPDKS-GFCCVEGCSA-N 0 3 323.418 2.483 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000421772933 405640126 /nfs/dbraw/zinc/64/01/26/405640126.db2.gz HVEJRBJGHHNILV-OLZOCXBDSA-N 0 3 305.378 2.424 20 5 DEBDHN CC(C)N1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000457106167 405702552 /nfs/dbraw/zinc/70/25/52/405702552.db2.gz CZRVNYHBVKXODP-GFCCVEGCSA-N 0 3 309.341 2.289 20 5 DEBDHN CCN1CCC(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000568829281 292369412 /nfs/dbraw/zinc/36/94/12/292369412.db2.gz WWXORYPEZOZNJP-GFCCVEGCSA-N 0 3 305.378 2.299 20 5 DEBDHN Cc1cc(N[C@H](CO)CN2CCCCC2)c(F)cc1[N+](=O)[O-] ZINC000450522625 405941149 /nfs/dbraw/zinc/94/11/49/405941149.db2.gz YTJFJQARMIYKBV-LBPRGKRZSA-N 0 3 311.357 2.301 20 5 DEBDHN COC(=O)c1ccc([N+](=O)[O-])c(NCCN2CCCC2(C)C)n1 ZINC000450947508 405996999 /nfs/dbraw/zinc/99/69/99/405996999.db2.gz CCDYKGRQWXQXGK-UHFFFAOYSA-N 0 3 322.365 2.063 20 5 DEBDHN COc1ccc(NC(=O)CN[C@@H]2CCC[C@@H]3C[C@@H]32)c([N+](=O)[O-])c1 ZINC000459791777 406047338 /nfs/dbraw/zinc/04/73/38/406047338.db2.gz SZBIVZNAUZOSOC-KGYLQXTDSA-N 0 3 319.361 2.320 20 5 DEBDHN CC(C)[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000487989614 406281942 /nfs/dbraw/zinc/28/19/42/406281942.db2.gz AEPUWDLPDUJLGJ-MRXNPFEDSA-N 0 3 307.394 2.246 20 5 DEBDHN C[C@H]1CCCN(C(C)(C)CNC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000520365985 406286315 /nfs/dbraw/zinc/28/63/15/406286315.db2.gz JSIIPYSLTDCNSV-LBPRGKRZSA-N 0 3 322.409 2.174 20 5 DEBDHN COCCN(CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCO[C@H]1C ZINC000489461630 406408878 /nfs/dbraw/zinc/40/88/78/406408878.db2.gz WMJPIQMTAKVECV-BBRMVZONSA-N 0 3 308.378 2.263 20 5 DEBDHN CN1CCC[C@@H](CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000547760507 406443263 /nfs/dbraw/zinc/44/32/63/406443263.db2.gz GXFBLKYGANQMFB-JTQLQIEISA-N 0 3 310.329 2.197 20 5 DEBDHN O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N1CCN2CCC[C@H]2C1 ZINC000491545399 406616704 /nfs/dbraw/zinc/61/67/04/406616704.db2.gz IOEZGVASOLVKTE-SDQPKGBYSA-N 0 3 319.336 2.054 20 5 DEBDHN CN1CCC[C@H](CNC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000491576204 406627743 /nfs/dbraw/zinc/62/77/43/406627743.db2.gz MOGHUMGQIBDEIV-SMYYYNMVSA-N 0 3 321.352 2.205 20 5 DEBDHN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@@H](C)CN(C)C ZINC000553358189 406752922 /nfs/dbraw/zinc/75/29/22/406752922.db2.gz CZNZIRLIRJEUDJ-QMMMGPOBSA-N 0 3 315.757 2.397 20 5 DEBDHN Cc1cccc(C(=O)N2CC[C@@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000171443929 292420192 /nfs/dbraw/zinc/42/01/92/292420192.db2.gz VGJYBGGFQNEXQK-CYBMUJFWSA-N 0 3 303.362 2.214 20 5 DEBDHN CC(C)C[C@@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])N(C)C ZINC000132517809 196262560 /nfs/dbraw/zinc/26/25/60/196262560.db2.gz BLBCBOBKOMHBQT-LBPRGKRZSA-N 0 3 311.357 2.440 20 5 DEBDHN O=C(NC1CCN(C2CC2)CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000132660493 196274351 /nfs/dbraw/zinc/27/43/51/196274351.db2.gz SFHPRKUIIXYKHC-UHFFFAOYSA-N 0 3 307.325 2.091 20 5 DEBDHN C[C@H]1C[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])CN1C1CC1 ZINC000134490059 196396641 /nfs/dbraw/zinc/39/66/41/196396641.db2.gz YVGRAVXEQPXPBB-ONGXEEELSA-N 0 3 307.325 2.089 20 5 DEBDHN CCn1nncc1CNCCCCc1ccc([N+](=O)[O-])cc1 ZINC000417957305 229159514 /nfs/dbraw/zinc/15/95/14/229159514.db2.gz JJYQWYDIWVZVGU-UHFFFAOYSA-N 0 3 303.366 2.319 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCNc1cnccn1 ZINC000531991793 421646783 /nfs/dbraw/zinc/64/67/83/421646783.db2.gz SLYPIRDYKSQPAG-GFCCVEGCSA-N 0 3 301.350 2.456 20 5 DEBDHN CC(C)Oc1nc(N[C@@H]2CCN(C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000596337040 425024168 /nfs/dbraw/zinc/02/41/68/425024168.db2.gz SVEZIZOBPRLLRA-GFCCVEGCSA-N 0 3 322.409 3.062 20 5 DEBDHN COc1cc(N2C[C@@H](SC)[C@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC000271640117 274096975 /nfs/dbraw/zinc/09/69/75/274096975.db2.gz PNRSLYCUNAGIKO-TZMCWYRMSA-N 0 3 311.407 2.085 20 5 DEBDHN CNC(=O)[C@@H]1CCC[C@H]1N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447581441 277244223 /nfs/dbraw/zinc/24/42/23/277244223.db2.gz UNGFJYVTDJCMPX-FVQBIDKESA-N 0 3 317.389 2.477 20 5 DEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](C)C(=O)N1CCCC1 ZINC000449299975 278298398 /nfs/dbraw/zinc/29/83/98/278298398.db2.gz BXIAORGUSLSDPH-STQMWFEESA-N 0 3 305.378 2.126 20 5 DEBDHN C[C@H](NCCC(C)(C)S(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000414248873 279465792 /nfs/dbraw/zinc/46/57/92/279465792.db2.gz GAPRSWIMKLMOBI-NSHDSACASA-N 0 3 314.407 2.459 20 5 DEBDHN CC(C)[C@H](C(=O)N(C)CCc1ccccc1[N+](=O)[O-])N(C)C ZINC000288272803 280137286 /nfs/dbraw/zinc/13/72/86/280137286.db2.gz KHORXUMKWICTSD-OAHLLOKOSA-N 0 3 307.394 2.182 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000278285177 281258620 /nfs/dbraw/zinc/25/86/20/281258620.db2.gz BNHWAAQVKBSFKK-GFCCVEGCSA-N 0 3 303.362 2.283 20 5 DEBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NCCN2CCCC2)c1 ZINC000055177433 281482771 /nfs/dbraw/zinc/48/27/71/281482771.db2.gz DZVZEJLPKQORTQ-UHFFFAOYSA-N 0 3 309.391 2.142 20 5 DEBDHN COc1ccc(CN[C@H]2CCN(CC(F)F)C2)cc1[N+](=O)[O-] ZINC000418139217 533702932 /nfs/dbraw/zinc/70/29/32/533702932.db2.gz UFSYEAHYCHKVTA-NSHDSACASA-N 0 3 315.320 2.032 20 5 DEBDHN C[C@@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000574130759 326124830 /nfs/dbraw/zinc/12/48/30/326124830.db2.gz SBOITJFKANRKKS-QWHCGFSZSA-N 0 3 317.389 2.465 20 5 DEBDHN C[C@@H](C(=O)N[C@@H](C)C1=CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000574130758 326124926 /nfs/dbraw/zinc/12/49/26/326124926.db2.gz SBOITJFKANRKKS-OLZOCXBDSA-N 0 3 317.389 2.465 20 5 DEBDHN O=[N+]([O-])c1cccc(N2CCN(C[C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000575119761 326220439 /nfs/dbraw/zinc/22/04/39/326220439.db2.gz JDWSNYQHTLSJCC-YOEHRIQHSA-N 0 3 319.405 2.268 20 5 DEBDHN CC(C)c1cccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000575742609 326242068 /nfs/dbraw/zinc/24/20/68/326242068.db2.gz OBBJFHDGVWNCKL-INIZCTEOSA-N 0 3 318.377 2.065 20 5 DEBDHN CC[C@H]1CN(CCN[C@H]2CCc3c2cccc3[N+](=O)[O-])CCO1 ZINC000576291569 326283332 /nfs/dbraw/zinc/28/33/32/326283332.db2.gz LSVJDPBDIUCZMM-BBRMVZONSA-N 0 3 319.405 2.283 20 5 DEBDHN CC[C@H]1CN(CCN[C@@H]2CCc3c2cccc3[N+](=O)[O-])CCO1 ZINC000576291572 326283361 /nfs/dbraw/zinc/28/33/61/326283361.db2.gz LSVJDPBDIUCZMM-XJKSGUPXSA-N 0 3 319.405 2.283 20 5 DEBDHN O=[N+]([O-])c1ccccc1N1CCN(C[C@H]2CCCC[C@@H]2O)CC1 ZINC000577335710 326357591 /nfs/dbraw/zinc/35/75/91/326357591.db2.gz RDYSUDOKYNRONO-PBHICJAKSA-N 0 3 319.405 2.268 20 5 DEBDHN O=[N+]([O-])c1c(NC[C@H]2CCN(C3CC3)C2)nc2sccn21 ZINC000037404522 337363383 /nfs/dbraw/zinc/36/33/83/337363383.db2.gz PIAWCCPOOUDBRY-SECBINFHSA-N 0 3 307.379 2.200 20 5 DEBDHN CCCC[C@@H](N)C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000154495879 521065258 /nfs/dbraw/zinc/06/52/58/521065258.db2.gz LLHDFOXCAYFWIK-CYBMUJFWSA-N 0 3 322.409 2.339 20 5 DEBDHN CCC(CC)(CCO)NCC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000338372713 521419623 /nfs/dbraw/zinc/41/96/23/521419623.db2.gz PDCBVRLEPMIGCN-UHFFFAOYSA-N 0 3 323.393 2.373 20 5 DEBDHN COCC[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)(C)C ZINC000338346758 521974265 /nfs/dbraw/zinc/97/42/65/521974265.db2.gz GGPYWHIRMBCUKK-AWEZNQCLSA-N 0 3 323.393 2.235 20 5 DEBDHN CN(CCCOc1ccccc1)CCn1cc([N+](=O)[O-])cn1 ZINC000157651938 522788385 /nfs/dbraw/zinc/78/83/85/522788385.db2.gz IVRZADZTBSFJHA-UHFFFAOYSA-N 0 3 304.350 2.192 20 5 DEBDHN Cc1c(CC(=O)NCCN2CCCCCC2)cccc1[N+](=O)[O-] ZINC000161286470 525690899 /nfs/dbraw/zinc/69/08/99/525690899.db2.gz BUORHDSIHXIXHZ-UHFFFAOYSA-N 0 3 319.405 2.438 20 5 DEBDHN CC(C)c1ccc(CN[C@H](CO)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000447974001 528101775 /nfs/dbraw/zinc/10/17/75/528101775.db2.gz DHNLDCCBKPDQKD-GDBMZVCRSA-N 0 3 308.378 2.348 20 5 DEBDHN CCNC(=O)[C@@H](NC/C=C/c1ccccc1[N+](=O)[O-])C(C)C ZINC000292860180 528211436 /nfs/dbraw/zinc/21/14/36/528211436.db2.gz CKQODDFWXGZZRT-HEWZJLJBSA-N 0 3 305.378 2.358 20 5 DEBDHN CCN1CCC[C@@H]1CNC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000358915976 535562351 /nfs/dbraw/zinc/56/23/51/535562351.db2.gz RCHFDXADMSMQBG-CQSZACIVSA-N 0 3 320.393 2.187 20 5 DEBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000247452027 536471615 /nfs/dbraw/zinc/47/16/15/536471615.db2.gz ZSANCRJDKRDTHS-GOEBONIOSA-N 0 3 317.389 2.080 20 5 DEBDHN O=C(N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1)C1CC=CC1 ZINC001021919434 624138492 /nfs/dbraw/zinc/13/84/92/624138492.db2.gz YLUGDWPMANMKMM-GASCZTMLSA-N 0 3 315.373 2.298 20 5 DEBDHN CC(COC(=O)[C@@H]1c2ccccc2C(=O)OC12CCC2)[N+](=O)[O-] ZINC000893048812 625079070 /nfs/dbraw/zinc/07/90/70/625079070.db2.gz ZJAIVEOKNFELJO-MFKMUULPSA-N 0 3 319.313 2.072 20 5 DEBDHN CCn1cc(CNCCCCc2ccc([N+](=O)[O-])cc2)nn1 ZINC000893092803 625107566 /nfs/dbraw/zinc/10/75/66/625107566.db2.gz RUPZBMIFLRXRII-UHFFFAOYSA-N 0 3 303.366 2.319 20 5 DEBDHN COc1c(O)ccc(CN[C@H]2C[C@H](OC)C2(C)C)c1[N+](=O)[O-] ZINC000893096132 625107594 /nfs/dbraw/zinc/10/75/94/625107594.db2.gz CQDUPZQRQNTSNI-RYUDHWBXSA-N 0 3 310.350 2.212 20 5 DEBDHN COc1c([O-])ccc(C[NH2+][C@H]2C[C@H](OC)C2(C)C)c1[N+](=O)[O-] ZINC000893096132 625107595 /nfs/dbraw/zinc/10/75/95/625107595.db2.gz CQDUPZQRQNTSNI-RYUDHWBXSA-N 0 3 310.350 2.212 20 5 DEBDHN CC(C)(NC[C@@H]1CCC2(COC2)O1)c1ccccc1[N+](=O)[O-] ZINC000930555416 625187149 /nfs/dbraw/zinc/18/71/49/625187149.db2.gz UNQFYBWWJZUZPT-LBPRGKRZSA-N 0 3 306.362 2.368 20 5 DEBDHN COc1c([O-])ccc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000892609244 625191533 /nfs/dbraw/zinc/19/15/33/625191533.db2.gz YYKYKWJKFDJDBV-OLZOCXBDSA-N 0 3 321.377 2.025 20 5 DEBDHN COc1c([O-])ccc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000892609244 625191536 /nfs/dbraw/zinc/19/15/36/625191536.db2.gz YYKYKWJKFDJDBV-OLZOCXBDSA-N 0 3 321.377 2.025 20 5 DEBDHN O=C(N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1)c1ccco1 ZINC001019942342 625859059 /nfs/dbraw/zinc/85/90/59/625859059.db2.gz ZCCPLXXXQXPZOV-JOCQHMNTSA-N 0 3 315.329 2.238 20 5 DEBDHN C[C@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])N1CCCC1 ZINC000112827130 633699646 /nfs/dbraw/zinc/69/96/46/633699646.db2.gz PHIWRSGZRXIMMO-SNVBAGLBSA-N 0 3 311.769 2.462 20 5 DEBDHN Cc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)cc1Cl ZINC000836790369 650129929 /nfs/dbraw/zinc/12/99/29/650129929.db2.gz LBDGXJZRXXJLDH-HZMBPMFUSA-N 0 3 323.780 2.333 20 5 DEBDHN COc1c(O)ccc(CN[C@@]2(C)CCO[C@H]2C2CC2)c1[N+](=O)[O-] ZINC000893538573 634226824 /nfs/dbraw/zinc/22/68/24/634226824.db2.gz ZEJQFKROGRRGBZ-HOTGVXAUSA-N 0 3 322.361 2.356 20 5 DEBDHN Cc1ccc(CNCC(C)(C)CS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000922736498 636357371 /nfs/dbraw/zinc/35/73/71/636357371.db2.gz CCPYJTDNYBKQMO-UHFFFAOYSA-N 0 3 314.407 2.064 20 5 DEBDHN Cc1c(CNC2C[C@H]3CC[C@@H](C2)S3(=O)=O)cccc1[N+](=O)[O-] ZINC000922849765 636444446 /nfs/dbraw/zinc/44/44/46/636444446.db2.gz AJVYLLJJOYISNG-AGUYFDCRSA-N 0 3 324.402 2.101 20 5 DEBDHN COc1c([O-])ccc(CN(C)[C@@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000894793675 637217305 /nfs/dbraw/zinc/21/73/05/637217305.db2.gz GIMQQXLCUBUCSK-CYBMUJFWSA-N 0 3 323.393 2.224 20 5 DEBDHN COc1c([O-])ccc(CN(C)[C@@H]2CC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000894793675 637217308 /nfs/dbraw/zinc/21/73/08/637217308.db2.gz GIMQQXLCUBUCSK-CYBMUJFWSA-N 0 3 323.393 2.224 20 5 DEBDHN CC[C@H]1C[C@H]([NH2+]Cc2ccc([O-])c(OC)c2[N+](=O)[O-])CCO1 ZINC000894975602 637354568 /nfs/dbraw/zinc/35/45/68/637354568.db2.gz QFBFJYYWBFJJCL-NEPJUHHUSA-N 0 3 310.350 2.356 20 5 DEBDHN CC(=O)N1CCC(NCc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000742218571 638049944 /nfs/dbraw/zinc/04/99/44/638049944.db2.gz YUUJBNNBGIOWOZ-UHFFFAOYSA-N 0 3 311.769 2.349 20 5 DEBDHN C[S@@](=O)C1(CNCc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000799738708 640119752 /nfs/dbraw/zinc/11/97/52/640119752.db2.gz KDPZARUYYUATSE-LJQANCHMSA-N 0 3 302.783 2.249 20 5 DEBDHN CCS(=O)(=O)C[C@@H](C)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897463674 640432008 /nfs/dbraw/zinc/43/20/08/640432008.db2.gz BCZVKBDKKPPRQB-VXGBXAGGSA-N 0 3 314.407 2.111 20 5 DEBDHN Cc1ccc(NC(=O)N2CC[C@H]3CN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000929118808 640771245 /nfs/dbraw/zinc/77/12/45/640771245.db2.gz SKADROZYPRNQMT-SMDDNHRTSA-N 0 3 304.350 2.071 20 5 DEBDHN CNC(=O)[C@@H]1CCC[C@H]1NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000765794557 640819643 /nfs/dbraw/zinc/81/96/43/640819643.db2.gz DNIHJGBLAIALHN-VXGBXAGGSA-N 0 3 311.769 2.253 20 5 DEBDHN COC(=O)C[C@H]1CCCCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582553 642188330 /nfs/dbraw/zinc/18/83/30/642188330.db2.gz VFGONLZDQNAQSB-CABCVRRESA-N 0 3 322.361 2.046 20 5 DEBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC(n3ccnc3)CC2)cc1 ZINC000776592007 642190251 /nfs/dbraw/zinc/19/02/51/642190251.db2.gz ODFHIPLCKBKXMU-MRXNPFEDSA-N 0 3 316.361 2.162 20 5 DEBDHN CNC(C)(C)c1cc(-c2cc3c(cc2[N+](=O)[O-])OCO3)no1 ZINC000901398583 642649183 /nfs/dbraw/zinc/64/91/83/642649183.db2.gz VKQNXDYKYQCNSL-UHFFFAOYSA-N 0 3 305.290 2.433 20 5 DEBDHN COc1cc([C@H](C)NCCO[C@H]2CCOC2)cc([N+](=O)[O-])c1 ZINC000903225635 643287835 /nfs/dbraw/zinc/28/78/35/643287835.db2.gz HUWIHJUSYJGSIS-FZMZJTMJSA-N 0 3 310.350 2.060 20 5 DEBDHN COc1cc([C@H](C)N[C@H](CO)C[C@H]2CCCO2)cc([N+](=O)[O-])c1 ZINC000903218257 643293227 /nfs/dbraw/zinc/29/32/27/643293227.db2.gz BWLUHHMGJHZENE-CORIIIEPSA-N 0 3 324.377 2.184 20 5 DEBDHN CC[C@@](C)(CC(=O)OC)NCc1ccc([N+](=O)[O-])cc1OC ZINC000797518868 644890597 /nfs/dbraw/zinc/89/05/97/644890597.db2.gz MHFWPMPOZKZWLG-HNNXBMFYSA-N 0 3 310.350 2.425 20 5 DEBDHN C[C@@H](NC(=O)NC[C@H]1CCCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000912152894 645966112 /nfs/dbraw/zinc/96/61/12/645966112.db2.gz JUCHLUHRCZALMM-IUODEOHRSA-N 0 3 320.393 2.439 20 5 DEBDHN CC(COC(=O)CCC(C)(C)NC(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000813108257 646730300 /nfs/dbraw/zinc/73/03/00/646730300.db2.gz CKLVWVXJEFCAKT-JTQLQIEISA-N 0 3 318.370 2.278 20 5 DEBDHN CC(COC(=O)c1cnn(Cc2ccccc2)c1Cl)[N+](=O)[O-] ZINC000813107463 646730669 /nfs/dbraw/zinc/73/06/69/646730669.db2.gz NXDOYCXFKAEGIS-JTQLQIEISA-N 0 3 323.736 2.407 20 5 DEBDHN COc1cc(CN[C@@H]2COC[C@H]2C2CC2)c([N+](=O)[O-])cc1OC ZINC000914432595 647356046 /nfs/dbraw/zinc/35/60/46/647356046.db2.gz ADLQTZGYWGCJEE-QWHCGFSZSA-N 0 3 322.361 2.127 20 5 DEBDHN O=C1OCCN1CCN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831539677 649607663 /nfs/dbraw/zinc/60/76/63/649607663.db2.gz UHPFMBKCXVXXGT-AWEZNQCLSA-N 0 3 319.361 2.226 20 5 DEBDHN CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@H](C)N1 ZINC000856409307 651922542 /nfs/dbraw/zinc/92/25/42/651922542.db2.gz LVVNJQLCHMFLGZ-VHSXEESVSA-N 0 3 311.769 2.461 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCc1ccnn1C ZINC000850460491 651933830 /nfs/dbraw/zinc/93/38/30/651933830.db2.gz BMKFWWYCTFHAEL-NSHDSACASA-N 0 3 304.350 2.230 20 5 DEBDHN O=C1CC[C@H](CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)O1 ZINC000851790881 652239325 /nfs/dbraw/zinc/23/93/25/652239325.db2.gz QMBIMJKSCIVNNO-OAHLLOKOSA-N 0 3 320.345 2.144 20 5 DEBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000928441638 693779873 /nfs/dbraw/zinc/77/98/73/693779873.db2.gz SULFRRKYJLXTNY-XNRPHZJLSA-N 0 3 319.405 2.372 20 5 DEBDHN COCCN1[C@H](C)CN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000129901731 684183413 /nfs/dbraw/zinc/18/34/13/684183413.db2.gz VIXYVWNABAWDLT-OKILXGFUSA-N 0 3 307.394 2.136 20 5 DEBDHN CO[C@H]1CN(C)[C@@](C)(COC(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000861344359 686049879 /nfs/dbraw/zinc/04/98/79/686049879.db2.gz OWTZCZMVLQOTFT-CZUORRHYSA-N 0 3 322.361 2.169 20 5 DEBDHN CCN(C(=O)Cc1ccc(F)cc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000861890331 686200315 /nfs/dbraw/zinc/20/03/15/686200315.db2.gz IAAABBQSMVPJGL-UHFFFAOYSA-N 0 3 323.368 2.219 20 5 DEBDHN CCN(C(=O)c1ccc([N+](=O)[O-])cc1OC)C1CCN(C)CC1 ZINC000861892983 686201627 /nfs/dbraw/zinc/20/16/27/686201627.db2.gz ZYOXWFDNGKUWSO-UHFFFAOYSA-N 0 3 321.377 2.160 20 5 DEBDHN O=[N+]([O-])c1cc(CO)c(N2CCN(C3CCCC3)CC2)cc1F ZINC000865433997 687209565 /nfs/dbraw/zinc/20/95/65/687209565.db2.gz SIANIROQJFUPMQ-UHFFFAOYSA-N 0 3 323.368 2.291 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1CN1[C@H](C)CC[C@H](C(N)=O)[C@H]1C ZINC000930913479 694271654 /nfs/dbraw/zinc/27/16/54/694271654.db2.gz XMWOXSAVTZJQQY-GYSYKLTISA-N 0 3 321.377 2.078 20 5 DEBDHN Cc1cc(C(=O)N2CC[C@@H]3[C@H]2CCCN3C)cc([N+](=O)[O-])c1 ZINC000874845054 689515858 /nfs/dbraw/zinc/51/58/58/689515858.db2.gz UKDKEZAHERSBOV-HUUCEWRRSA-N 0 3 303.362 2.212 20 5 DEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000931057510 694306016 /nfs/dbraw/zinc/30/60/16/694306016.db2.gz PEDNBOBSQVIEPW-SWLSCSKDSA-N 0 3 318.377 2.379 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000877629513 690173270 /nfs/dbraw/zinc/17/32/70/690173270.db2.gz VCMJNLVFNWDWLR-HIFRSBDPSA-N 0 3 317.389 2.312 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(CO)(CO)CC1 ZINC000879970497 690770448 /nfs/dbraw/zinc/77/04/48/690770448.db2.gz SWCCEISMOZDNPC-ZDUSSCGKSA-N 0 3 308.378 2.031 20 5 DEBDHN CCN1CC[C@H]1CNc1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1 ZINC000882960805 691397852 /nfs/dbraw/zinc/39/78/52/691397852.db2.gz WRKQKXKDVGBRFO-LBPRGKRZSA-N 0 3 307.350 2.196 20 5 DEBDHN O=C1C[C@H](NC/C=C\c2ccccc2[N+](=O)[O-])CN1CC1CC1 ZINC000883403889 691499500 /nfs/dbraw/zinc/49/95/00/691499500.db2.gz ICIUQGRSPFVGPV-QTLSWZBMSA-N 0 3 315.373 2.209 20 5 DEBDHN O=[N+]([O-])c1cnc(NCCN2CCC(O)CC2)c2ccccc21 ZINC000884524344 691756750 /nfs/dbraw/zinc/75/67/50/691756750.db2.gz VPEHRBBQZKNRJM-UHFFFAOYSA-N 0 3 316.361 2.012 20 5 DEBDHN O=[N+]([O-])c1ccc(Cl)cc1CN[C@H](CO)C[C@H]1CCCO1 ZINC000886226824 692030468 /nfs/dbraw/zinc/03/04/68/692030468.db2.gz RZUAPVIBDJWZRH-QWHCGFSZSA-N 0 3 314.769 2.268 20 5 DEBDHN COC[C@H](NCc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000886915342 692230274 /nfs/dbraw/zinc/23/02/74/692230274.db2.gz CMPUGGCBXMMFEP-OCCSQVGLSA-N 0 3 312.341 2.265 20 5 DEBDHN COc1c(O)ccc(CN[C@H]2C[C@H](OC)C23CCC3)c1[N+](=O)[O-] ZINC000894858441 692989524 /nfs/dbraw/zinc/98/95/24/692989524.db2.gz GJCFJVCHHVEOQX-STQMWFEESA-N 0 3 322.361 2.356 20 5 DEBDHN COc1c([O-])ccc(C[NH2+][C@H]2C[C@H](OC)C23CCC3)c1[N+](=O)[O-] ZINC000894858441 692989530 /nfs/dbraw/zinc/98/95/30/692989530.db2.gz GJCFJVCHHVEOQX-STQMWFEESA-N 0 3 322.361 2.356 20 5 DEBDHN CCOc1ccc([C@H](C)NCCO[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000927086547 693552390 /nfs/dbraw/zinc/55/23/90/693552390.db2.gz WNVSUJMCPRBIJH-JSGCOSHPSA-N 0 3 324.377 2.450 20 5 DEBDHN Cn1cc(CNCCOc2ccc([N+](=O)[O-])cc2)c(C2CC2)n1 ZINC001351988255 1151645369 /nfs/dbraw/zinc/64/53/69/1151645369.db2.gz XNRCMILDNRROHG-UHFFFAOYSA-N 0 3 316.361 2.374 20 5 DEBDHN C[C@@H](c1ccccc1[N+](=O)[O-])n1cc(CNCC2CC2)nn1 ZINC001352982656 1151801484 /nfs/dbraw/zinc/80/14/84/1151801484.db2.gz CGNRGWKWIFBQCL-NSHDSACASA-N 0 3 301.350 2.295 20 5 DEBDHN O=[N+]([O-])C[C@H]1CC[C@@H](NCc2nc(Br)cs2)C1 ZINC001168999030 784998320 /nfs/dbraw/zinc/99/83/20/784998320.db2.gz RBAYRKJLJKTLAE-JGVFFNPUSA-N 0 3 320.212 2.441 20 5 DEBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2CCN(Cc3ccc(F)cc3)CC2)C1 ZINC001169009076 785002340 /nfs/dbraw/zinc/00/23/40/785002340.db2.gz VBCFTWPQLBAIAJ-RDJZCZTQSA-N 0 3 321.396 2.389 20 5 DEBDHN COc1ccc(C[C@@H](C)N(C)CC(OC)OC)c([N+](=O)[O-])c1 ZINC001170351651 786931474 /nfs/dbraw/zinc/93/14/74/786931474.db2.gz GQMUUBPJFHNRLW-LLVKDONJSA-N 0 3 312.366 2.085 20 5 DEBDHN COc1nc(N2CCN(C)CC23CCCC3)ccc1[N+](=O)[O-] ZINC001158408736 787654831 /nfs/dbraw/zinc/65/48/31/787654831.db2.gz NZVKGPWDGWLKAV-UHFFFAOYSA-N 0 3 306.366 2.063 20 5 DEBDHN Cc1ccc(NCCN(C)C(=O)CN(C)C(C)C)c([N+](=O)[O-])c1 ZINC001101657672 793298711 /nfs/dbraw/zinc/29/87/11/793298711.db2.gz KIAKBAVJYIJYIF-UHFFFAOYSA-N 0 3 322.409 2.114 20 5 DEBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@]2(CNC(=O)O2)C1 ZINC001173235880 793647024 /nfs/dbraw/zinc/64/70/24/793647024.db2.gz ZYNOJDXHJFWQFM-BLLLJJGKSA-N 0 3 319.361 2.100 20 5 DEBDHN CCNC(=O)[C@@H]1CCCN1[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173236679 793654340 /nfs/dbraw/zinc/65/43/40/793654340.db2.gz DXHMLAQCVUZBOY-DOMZBBRYSA-N 0 3 305.378 2.126 20 5 DEBDHN O=C(Cc1cccs1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001122662062 795791477 /nfs/dbraw/zinc/79/14/77/795791477.db2.gz WTFFHHKHYZGHOO-UHFFFAOYSA-N 0 3 319.386 2.105 20 5 DEBDHN CC(COC(=O)[C@@H]1CCCCN1Cc1cccc(F)c1)[N+](=O)[O-] ZINC001122950921 795826381 /nfs/dbraw/zinc/82/63/81/795826381.db2.gz PBOXYCZZNJICOM-DOMZBBRYSA-N 0 3 324.352 2.389 20 5 DEBDHN Cc1cc(CN)nn1-c1nc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001156038619 797910359 /nfs/dbraw/zinc/91/03/59/797910359.db2.gz FBZGEIBXMZULQT-UHFFFAOYSA-N 0 3 318.724 2.144 20 5 DEBDHN Cc1cc(C(=O)NCCCNCc2csc([N+](=O)[O-])c2)co1 ZINC001157062342 798136661 /nfs/dbraw/zinc/13/66/61/798136661.db2.gz AZHVPIJALUJBCT-UHFFFAOYSA-N 0 3 323.374 2.467 20 5 DEBDHN O=[N+]([O-])c1cc(F)cnc1N1CCN[C@H](c2ccccc2)C1 ZINC001157758644 798272617 /nfs/dbraw/zinc/27/26/17/798272617.db2.gz ARHWCIPWQUIEAW-ZDUSSCGKSA-N 0 3 302.309 2.280 20 5 DEBDHN Cc1nc(-n2nc(-c3ccncc3)cc2CN)ccc1[N+](=O)[O-] ZINC001160337462 798677488 /nfs/dbraw/zinc/67/74/88/798677488.db2.gz DRGJEJYMXYAPHE-UHFFFAOYSA-N 0 3 310.317 2.005 20 5 DEBDHN COc1cnc(-n2c3ccccc3nc2[C@@H](C)N)cc1[N+](=O)[O-] ZINC001162764021 799168936 /nfs/dbraw/zinc/16/89/36/799168936.db2.gz SXVLBOMSUBAWSI-SECBINFHSA-N 0 3 313.317 2.357 20 5 DEBDHN C[C@H](N)c1nc2ccccc2n1-c1cnc(F)c([N+](=O)[O-])c1 ZINC001162777562 799171255 /nfs/dbraw/zinc/17/12/55/799171255.db2.gz UKGDAZUMETUZKQ-QMMMGPOBSA-N 0 3 301.281 2.488 20 5 DEBDHN Cc1cc(CN)nn1-c1ccc(-c2cccc([N+](=O)[O-])c2)nn1 ZINC001163981475 799470997 /nfs/dbraw/zinc/47/09/97/799470997.db2.gz NCCNILKPMKAZPJ-UHFFFAOYSA-N 0 3 310.317 2.005 20 5 DEBDHN O=[N+]([O-])c1ccc(-n2cnc3c2CNCC3)nc1-c1ccccc1 ZINC001164317876 799569142 /nfs/dbraw/zinc/56/91/42/799569142.db2.gz ZIFAOGCJNAFFFQ-UHFFFAOYSA-N 0 3 321.340 2.488 20 5 DEBDHN O=C(NCCCNCc1csc([N+](=O)[O-])c1)C1(CF)CC1 ZINC001166354793 799860730 /nfs/dbraw/zinc/86/07/30/799860730.db2.gz IYOBZEZTRWOGOC-UHFFFAOYSA-N 0 3 315.370 2.002 20 5 DEBDHN COC(=O)c1ccc(OC2CCN(C3CC3)CC2)cc1[N+](=O)[O-] ZINC001234050379 802279639 /nfs/dbraw/zinc/27/96/39/802279639.db2.gz JSPDNTUFKPYQCW-UHFFFAOYSA-N 0 3 320.345 2.387 20 5 DEBDHN COCCN1CCC(Oc2c(Cl)nccc2[N+](=O)[O-])CC1 ZINC001225431716 802964982 /nfs/dbraw/zinc/96/49/82/802964982.db2.gz TWMDZZKSPPYGEW-UHFFFAOYSA-N 0 3 315.757 2.133 20 5 DEBDHN C[C@@H](NC(=O)N1CCN[C@H](C)[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC001335647541 1150489237 /nfs/dbraw/zinc/48/92/37/1150489237.db2.gz VUFBXGZUDXLSOC-UTUOFQBUSA-N 0 3 306.366 2.048 20 5 DEBDHN CC([C@H](OC(=O)[C@]1(F)CCOC1)c1ccccc1F)[N+](=O)[O-] ZINC001343838833 1150776981 /nfs/dbraw/zinc/77/69/81/1150776981.db2.gz SZGUELQITDZMSH-LQJRIPTKSA-N 0 3 315.272 2.204 20 5 DEBDHN Cc1cc(NC(=O)N2CC[C@@H]3CN(C)C[C@H]32)cc([N+](=O)[O-])c1 ZINC001344874913 1150848041 /nfs/dbraw/zinc/84/80/41/1150848041.db2.gz IWBVGHKETJVVAU-BXUZGUMPSA-N 0 3 304.350 2.071 20 5 DEBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCN(C)[C@H]2C1 ZINC001526565509 1070312100 /nfs/dbraw/zinc/31/21/00/1070312100.db2.gz YKBYYNKIJBNFCT-MFKMUULPSA-N 0 3 321.402 2.093 20 5 DEBDHN C/C=C(/C)C(=O)NCCCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC001479764258 1061706361 /nfs/dbraw/zinc/70/63/61/1061706361.db2.gz OYGHUNOSGHDYKW-PQMHYQBVSA-N 0 3 305.378 2.499 20 5 DEBDHN CC(C)CN1CCC[C@@H]1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001625754747 1078250976 /nfs/dbraw/zinc/25/09/76/1078250976.db2.gz YINBAQYYCTUTOI-CYBMUJFWSA-N 0 3 306.366 2.236 20 5 DEBDHN O=C(N[C@@]12CCN(C1)CCC2)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001643182735 1078789410 /nfs/dbraw/zinc/78/94/10/1078789410.db2.gz ONTHQRLLVXAFAE-INIZCTEOSA-N 0 3 314.345 2.044 20 5 DEBDHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)CC1CCC1 ZINC001267359743 1078791518 /nfs/dbraw/zinc/79/15/18/1078791518.db2.gz SZLSJYFFAFYDEZ-UHFFFAOYSA-N 0 3 305.378 2.333 20 5 DEBDHN Cc1ncncc1C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC001519200987 1069038261 /nfs/dbraw/zinc/03/82/61/1069038261.db2.gz HDRVWLFVSYTRIA-YGRLFVJLSA-N 0 3 319.292 2.487 20 5 DEBDHN COc1c([O-])ccc(C[NH2+][C@H](CCO)C2CCCC2)c1[N+](=O)[O-] ZINC001561025060 1075150016 /nfs/dbraw/zinc/15/00/16/1075150016.db2.gz MKICGSDYUBEDEO-CYBMUJFWSA-N 0 3 324.377 2.340 20 5 DEBDHN CC1(C)CCC[N@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001590095853 1076562886 /nfs/dbraw/zinc/56/28/86/1076562886.db2.gz BTSNIFZABAHDPG-UHFFFAOYSA-N 0 3 316.365 2.397 20 5 DEBDHN CC1(C)CCC[N@@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001590095853 1076562890 /nfs/dbraw/zinc/56/28/90/1076562890.db2.gz BTSNIFZABAHDPG-UHFFFAOYSA-N 0 3 316.365 2.397 20 5 DEBDHN C[C@H]1C[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC[C@@H]1C ZINC001590273187 1076604241 /nfs/dbraw/zinc/60/42/41/1076604241.db2.gz WGSBOOGMXRBJBM-QWRGUYRKSA-N 0 3 316.365 2.253 20 5 DEBDHN C[C@H]1C[N@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC[C@@H]1C ZINC001590273187 1076604242 /nfs/dbraw/zinc/60/42/42/1076604242.db2.gz WGSBOOGMXRBJBM-QWRGUYRKSA-N 0 3 316.365 2.253 20 5 DEBDHN CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609198494 1077794107 /nfs/dbraw/zinc/79/41/07/1077794107.db2.gz BSDRMUHNBKLAPV-WDEREUQCSA-N 0 3 316.365 2.395 20 5 DEBDHN CC[C@@H]1C[C@H](C)C[N@H+]1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609198494 1077794110 /nfs/dbraw/zinc/79/41/10/1077794110.db2.gz BSDRMUHNBKLAPV-WDEREUQCSA-N 0 3 316.365 2.395 20 5 DEBDHN CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609198494 1077794114 /nfs/dbraw/zinc/79/41/14/1077794114.db2.gz BSDRMUHNBKLAPV-WDEREUQCSA-N 0 3 316.365 2.395 20 5 DEBDHN CC[C@@H]1C[C@H](C)C[N@H+]1Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609198494 1077794118 /nfs/dbraw/zinc/79/41/18/1077794118.db2.gz BSDRMUHNBKLAPV-WDEREUQCSA-N 0 3 316.365 2.395 20 5 DEBDHN CC[N@H+](Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C(C)(C)C ZINC001609224807 1077806919 /nfs/dbraw/zinc/80/69/19/1077806919.db2.gz AHNMVEINJJORNF-UHFFFAOYSA-N 0 3 304.354 2.395 20 5 DEBDHN CC[N@@H+](Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C(C)(C)C ZINC001609224807 1077806922 /nfs/dbraw/zinc/80/69/22/1077806922.db2.gz AHNMVEINJJORNF-UHFFFAOYSA-N 0 3 304.354 2.395 20 5 DEBDHN CC[N@H+](Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C(C)(C)C ZINC001609224807 1077806924 /nfs/dbraw/zinc/80/69/24/1077806924.db2.gz AHNMVEINJJORNF-UHFFFAOYSA-N 0 3 304.354 2.395 20 5 DEBDHN CC[N@@H+](Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C(C)(C)C ZINC001609224807 1077806926 /nfs/dbraw/zinc/80/69/26/1077806926.db2.gz AHNMVEINJJORNF-UHFFFAOYSA-N 0 3 304.354 2.395 20 5 DEBDHN CN(C)[C@@H](CNc1nn(C)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC001651277841 1079799880 /nfs/dbraw/zinc/79/98/80/1079799880.db2.gz DDNNDUWFUJJEHF-LBPRGKRZSA-N 0 3 307.329 2.182 20 5 DEBDHN CN1CCCC[C@H]1CNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001659035142 1080226825 /nfs/dbraw/zinc/22/68/25/1080226825.db2.gz JESHDXPPTHJRQJ-LBPRGKRZSA-N 0 3 304.350 2.310 20 5 DEBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001297467088 1139870991 /nfs/dbraw/zinc/87/09/91/1139870991.db2.gz QHVRIHRVDLWTHA-CQSZACIVSA-N 0 3 320.393 2.027 20 5 DEBDHN O=[N+]([O-])c1ccccc1-c1nc([C@H]2CN3CCC2CC3)no1 ZINC001323915768 1141898854 /nfs/dbraw/zinc/89/88/54/1141898854.db2.gz WYMCTWBKNWLTAF-LBPRGKRZSA-N 0 3 300.318 2.454 20 5 DEBDHN O=[N+]([O-])c1cnc2ccc(F)cc2c1N[C@@H]1CN2CCC1CC2 ZINC001337316189 1142728634 /nfs/dbraw/zinc/72/86/34/1142728634.db2.gz RMCQLBMOQKWFIE-CQSZACIVSA-N 0 3 316.336 2.210 20 5 DEBDHN COc1ccc(CN[C@@H](C)Cc2ccccc2[N+](=O)[O-])nn1 ZINC001254540680 1143242784 /nfs/dbraw/zinc/24/27/84/1143242784.db2.gz UFVFIIQKHROOTN-NSHDSACASA-N 0 3 302.334 2.114 20 5 DEBDHN CC(=O)N(C)[C@@H]1CCN([C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254566356 1143250786 /nfs/dbraw/zinc/25/07/86/1143250786.db2.gz STXAMEXJUDDDSU-SWLSCSKDSA-N 0 3 305.378 2.078 20 5 DEBDHN CCOc1cc(CN[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)ncn1 ZINC001254586907 1143268035 /nfs/dbraw/zinc/26/80/35/1143268035.db2.gz MSNVRIPIVHRRSC-ZDUSSCGKSA-N 0 3 314.345 2.041 20 5 DEBDHN O=[N+]([O-])c1ccn(C2CCN(CCc3ccns3)CC2)n1 ZINC001262278010 1144303130 /nfs/dbraw/zinc/30/31/30/1144303130.db2.gz UPLYUKUORVVCRK-UHFFFAOYSA-N 0 3 307.379 2.127 20 5 DEBDHN CCOC1CC(O)(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000278437402 214152864 /nfs/dbraw/zinc/15/28/64/214152864.db2.gz KAHLBYSHQYADAG-XEBKBJJBSA-N 0 3 308.378 2.484 20 5 DEBDHN C[C@@H]1OCC[C@@]1(O)CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278757550 214380141 /nfs/dbraw/zinc/38/01/41/214380141.db2.gz KMLDTAYZQYLXGS-KNXALSJPSA-N 0 3 306.362 2.102 20 5 DEBDHN C[C@H](NCC1(CS(C)(=O)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000090182970 185285892 /nfs/dbraw/zinc/28/58/92/185285892.db2.gz JMPRVJQFCKDYFG-NSHDSACASA-N 0 3 312.391 2.070 20 5 DEBDHN CN(C[C@H]1CCCN1C)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000092627304 185330625 /nfs/dbraw/zinc/33/06/25/185330625.db2.gz KQUSKYYJAZLDCY-LLVKDONJSA-N 0 3 311.769 2.414 20 5 DEBDHN CN1C[C@H](N[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000417349141 529829874 /nfs/dbraw/zinc/82/98/74/529829874.db2.gz ZQPWNHVLKUDKJI-IUODEOHRSA-N 0 3 303.362 2.183 20 5 DEBDHN Cc1c(CC(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000269586709 186391878 /nfs/dbraw/zinc/39/18/78/186391878.db2.gz BPURMGHSERPRRW-IAQYHMDHSA-N 0 3 317.389 2.045 20 5 DEBDHN C[C@]1(CO)CCC[C@@H]1NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000331983968 234353190 /nfs/dbraw/zinc/35/31/90/234353190.db2.gz TWJKEGIDJCHLDB-GOEBONIOSA-N 0 3 322.361 2.102 20 5 DEBDHN CCc1ccc(C(=O)N2CCC[C@@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000174173013 198301350 /nfs/dbraw/zinc/30/13/50/198301350.db2.gz UGFNEMZIULQHLD-CQSZACIVSA-N 0 3 305.378 2.323 20 5 DEBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](C)C1 ZINC000047119430 354306907 /nfs/dbraw/zinc/30/69/07/354306907.db2.gz CRBGDDBVOXJSOK-STQMWFEESA-N 0 3 305.378 2.445 20 5 DEBDHN CNc1ccc(C(=O)NCCN2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000047120024 354307253 /nfs/dbraw/zinc/30/72/53/354307253.db2.gz ZTJREVMOAUVPHS-UHFFFAOYSA-N 0 3 320.393 2.098 20 5 DEBDHN CC(=O)NCC1CCN(Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000047771830 354329604 /nfs/dbraw/zinc/32/96/04/354329604.db2.gz YFVPDOGLLZBODY-UHFFFAOYSA-N 0 3 305.378 2.251 20 5 DEBDHN CNC(=O)c1ccc(NCCN2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000053562225 354439064 /nfs/dbraw/zinc/43/90/64/354439064.db2.gz CIMFOMRHMUGHPY-UHFFFAOYSA-N 0 3 320.393 2.098 20 5 DEBDHN CN(C)[C@H]1Cc2ccccc2N(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000067204809 354752661 /nfs/dbraw/zinc/75/26/61/354752661.db2.gz GRTJDNZFVDTKQA-LBPRGKRZSA-N 0 3 315.329 2.321 20 5 DEBDHN Cc1ccc(C(=O)N2CCCN(C(C)C)CC2)cc1[N+](=O)[O-] ZINC000068800761 354833991 /nfs/dbraw/zinc/83/39/91/354833991.db2.gz BORHRWXQQRIPLH-UHFFFAOYSA-N 0 3 305.378 2.460 20 5 DEBDHN CC(C)N1CCCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000069820025 354877909 /nfs/dbraw/zinc/87/79/09/354877909.db2.gz KHQNUBBFGWLYRF-UHFFFAOYSA-N 0 3 320.393 2.221 20 5 DEBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CNC1(CO)CCOCC1 ZINC000069248056 354855975 /nfs/dbraw/zinc/85/59/75/354855975.db2.gz IUTFZPFVDFZKCH-UHFFFAOYSA-N 0 3 324.377 2.013 20 5 DEBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC2(CNC(=O)C2)CC1 ZINC000075013725 355063755 /nfs/dbraw/zinc/06/37/55/355063755.db2.gz WHRDYMVDADNFDP-LBPRGKRZSA-N 0 3 303.362 2.258 20 5 DEBDHN CCN1CCC(N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000075604562 355095893 /nfs/dbraw/zinc/09/58/93/355095893.db2.gz NMJZMUKDRRRCSU-UHFFFAOYSA-N 0 3 305.378 2.080 20 5 DEBDHN CN1CC[C@@H]2CN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000408466597 283083171 /nfs/dbraw/zinc/08/31/71/283083171.db2.gz MMGQVISGQASEKI-RNCFNFMXSA-N 0 3 309.753 2.024 20 5 DEBDHN C[C@@H](O)CCN(C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000093481103 355683983 /nfs/dbraw/zinc/68/39/83/355683983.db2.gz BBZYGUAAWPGWTE-GFCCVEGCSA-N 0 3 318.377 2.198 20 5 DEBDHN CCNC(=O)CN[C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000129622124 355836143 /nfs/dbraw/zinc/83/61/43/355836143.db2.gz PYAOSXAURBYVNI-TZMCWYRMSA-N 0 3 305.378 2.032 20 5 DEBDHN O=[N+]([O-])c1cccc(CNC[C@@H](O)COCc2cccs2)c1 ZINC000315605189 356424917 /nfs/dbraw/zinc/42/49/17/356424917.db2.gz LSGUFOBCMVPPHU-CQSZACIVSA-N 0 3 322.386 2.324 20 5 DEBDHN CCN1CCC[C@H]1CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000319747530 356441958 /nfs/dbraw/zinc/44/19/58/356441958.db2.gz UCHORYPNCWNISX-JTQLQIEISA-N 0 3 317.349 2.140 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000421501918 283194799 /nfs/dbraw/zinc/19/47/99/283194799.db2.gz DMXIOIQWIIBNRA-JSGCOSHPSA-N 0 3 305.378 2.424 20 5 DEBDHN CCn1c(C)nc([N+](=O)[O-])c1N1C[C@H](N2CCCC2)C[C@H]1C ZINC000579634595 357007516 /nfs/dbraw/zinc/00/75/16/357007516.db2.gz GLFPSFUACDUYOX-DGCLKSJQSA-N 0 3 307.398 2.183 20 5 DEBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H](N2CCCC2)[C@H]1C ZINC000588839481 357428250 /nfs/dbraw/zinc/42/82/50/357428250.db2.gz YNQPSQDOVKJCGB-YPMHNXCESA-N 0 3 307.398 2.183 20 5 DEBDHN Cc1ccc(CCNC[C@@H](O)COc2ccccc2[N+](=O)[O-])o1 ZINC000591726064 357754246 /nfs/dbraw/zinc/75/42/46/357754246.db2.gz GITRFHSGEIYETC-CYBMUJFWSA-N 0 3 320.345 2.068 20 5 DEBDHN Cc1ccccc1C1(NCCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000592139407 357838435 /nfs/dbraw/zinc/83/84/35/357838435.db2.gz DQUHCPZKRCXHDW-UHFFFAOYSA-N 0 3 313.357 2.344 20 5 DEBDHN COc1ccc(OCCN2CCCCC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000594015023 358189188 /nfs/dbraw/zinc/18/91/88/358189188.db2.gz SQDZOGNDAMQIJV-CYBMUJFWSA-N 0 3 324.377 2.219 20 5 DEBDHN COc1ccc(OCCN2CCN(C)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000593984234 358184011 /nfs/dbraw/zinc/18/40/11/358184011.db2.gz NMGJUPLVHWXGQH-UHFFFAOYSA-N 0 3 323.393 2.008 20 5 DEBDHN O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594197144 358221483 /nfs/dbraw/zinc/22/14/83/358221483.db2.gz AHFSODDXVGKGLH-ZBFHGGJFSA-N 0 3 317.389 2.270 20 5 DEBDHN CCc1nn(C)c(N[C@H]2CCCN3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594598673 358301969 /nfs/dbraw/zinc/30/19/69/358301969.db2.gz HFPFRROYYXKMMF-QWHCGFSZSA-N 0 3 307.398 2.320 20 5 DEBDHN C[C@@H](CO)[C@@H]1CCCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000595671525 358517875 /nfs/dbraw/zinc/51/78/75/358517875.db2.gz SROWSURYAZTBOX-BBRMVZONSA-N 0 3 308.378 2.457 20 5 DEBDHN Cc1noc(CN2CC[C@@H]3[C@H](CCCN3C3CC3)C2)c1[N+](=O)[O-] ZINC000595388902 358437332 /nfs/dbraw/zinc/43/73/32/358437332.db2.gz YOMZZCZHCFBHLP-TZMCWYRMSA-N 0 3 320.393 2.340 20 5 DEBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@@H]([C@H]3CCCCO3)C2)n1 ZINC000595786439 358549264 /nfs/dbraw/zinc/54/92/64/358549264.db2.gz AGMGIJKCUNDCKO-ZIAGYGMSSA-N 0 3 308.382 2.072 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(C(C)(C)C)C2)c1 ZINC000597926108 359044500 /nfs/dbraw/zinc/04/45/00/359044500.db2.gz VOAJMWQWCZMCHO-LLVKDONJSA-N 0 3 321.377 2.206 20 5 DEBDHN CN1CCN(CCCSc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000618964523 363650752 /nfs/dbraw/zinc/65/07/52/363650752.db2.gz VGCCZQNCMOUUNV-UHFFFAOYSA-N 0 3 313.398 2.464 20 5 DEBDHN CN1CCC(N2CC[C@H](Nc3ccsc3[N+](=O)[O-])C2)CC1 ZINC000601116520 359927597 /nfs/dbraw/zinc/92/75/97/359927597.db2.gz MLHDWZDUDUQVAH-NSHDSACASA-N 0 3 310.423 2.237 20 5 DEBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000602292066 360331482 /nfs/dbraw/zinc/33/14/82/360331482.db2.gz LLKGRTBYLFRELS-YPMHNXCESA-N 0 3 321.352 2.290 20 5 DEBDHN CC[C@@H](C)[C@@H](CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1)OC ZINC000602438391 360372749 /nfs/dbraw/zinc/37/27/49/360372749.db2.gz ILMDBDMTOYXLBG-UKRRQHHQSA-N 0 3 322.409 2.173 20 5 DEBDHN O=[N+]([O-])c1ccc2[nH]c(CNCCC3CCOCC3)nc2c1 ZINC000602637700 360471354 /nfs/dbraw/zinc/47/13/54/360471354.db2.gz PCGJMSOWKAABPH-UHFFFAOYSA-N 0 3 304.350 2.377 20 5 DEBDHN CON1CCC(N(C)Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602690945 360500682 /nfs/dbraw/zinc/50/06/82/360500682.db2.gz SQHXUDHCPBHQJQ-UHFFFAOYSA-N 0 3 320.349 2.194 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000602798093 360560149 /nfs/dbraw/zinc/56/01/49/360560149.db2.gz MEZLYBKFBIWYRD-LSDHHAIUSA-N 0 3 322.409 2.238 20 5 DEBDHN COc1ccc(C2(NCCn3c(C)ncc3[N+](=O)[O-])CC2)cc1 ZINC000602808070 360565494 /nfs/dbraw/zinc/56/54/94/360565494.db2.gz WPGKQTPENGMJBL-UHFFFAOYSA-N 0 3 316.361 2.387 20 5 DEBDHN C[C@H]1OCC[C@H]1CN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000602763869 360541006 /nfs/dbraw/zinc/54/10/06/360541006.db2.gz TZYGBKCTMMHVDS-KGLIPLIRSA-N 0 3 305.378 2.142 20 5 DEBDHN O=[N+]([O-])c1ccc2ccnc(NC[C@H]3CSCCN3)c2c1 ZINC000603420635 360826998 /nfs/dbraw/zinc/82/69/98/360826998.db2.gz VIPGALNTBGKECY-NSHDSACASA-N 0 3 304.375 2.260 20 5 DEBDHN Cc1ccc(CNCCC(=O)Nc2ccccn2)cc1[N+](=O)[O-] ZINC000604532659 360914163 /nfs/dbraw/zinc/91/41/63/360914163.db2.gz MBXPPRYLPMADRD-UHFFFAOYSA-N 0 3 314.345 2.417 20 5 DEBDHN CN(C)C[C@H]1CCCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000609448069 361312239 /nfs/dbraw/zinc/31/22/39/361312239.db2.gz SCQXIWPVTIYQEL-CYBMUJFWSA-N 0 3 309.341 2.290 20 5 DEBDHN CC[C@@H](CN1CCCC1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000609876760 361345690 /nfs/dbraw/zinc/34/56/90/361345690.db2.gz FOFJXFNTQLNQJZ-ZDUSSCGKSA-N 0 3 309.341 2.338 20 5 DEBDHN CCN1CCN(CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000611091973 361525728 /nfs/dbraw/zinc/52/57/28/361525728.db2.gz FFGDFGYROUBFJM-AWEZNQCLSA-N 0 3 307.394 2.390 20 5 DEBDHN C[C@H]1C[C@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000611278716 361569613 /nfs/dbraw/zinc/56/96/13/361569613.db2.gz PZHYVHBQIQCNDD-CMPLNLGQSA-N 0 3 308.334 2.023 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNC1(CO)CCCCC1 ZINC000611462849 361603235 /nfs/dbraw/zinc/60/32/35/361603235.db2.gz FLPOYVIGFDEIAT-UHFFFAOYSA-N 0 3 321.377 2.127 20 5 DEBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@@H](O)C2CC2)c1 ZINC000265031361 204353652 /nfs/dbraw/zinc/35/36/52/204353652.db2.gz GGHMSAQUGKPQJR-LLVKDONJSA-N 0 3 302.277 2.057 20 5 DEBDHN CC(C)[C@@H](C(=O)N(C)CCc1cccc([N+](=O)[O-])c1)N(C)C ZINC000282520801 217058237 /nfs/dbraw/zinc/05/82/37/217058237.db2.gz PNDQTOGVGIZPFD-HNNXBMFYSA-N 0 3 307.394 2.182 20 5 DEBDHN CN(C)CCN(Cc1cccs1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000267731073 206246510 /nfs/dbraw/zinc/24/65/10/206246510.db2.gz MPRMKUFKRJAYBY-UHFFFAOYSA-N 0 3 322.390 2.188 20 5 DEBDHN CC(C)N1CCC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000274401881 211582077 /nfs/dbraw/zinc/58/20/77/211582077.db2.gz APAHHACWMKXMRW-CQSZACIVSA-N 0 3 305.378 2.126 20 5 DEBDHN CC1=CCN(CCNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000492557213 249089148 /nfs/dbraw/zinc/08/91/48/249089148.db2.gz BTHLIFDJOJANMA-AATRIKPKSA-N 0 3 315.373 2.376 20 5 DEBDHN Cc1c(NC(=O)CCN2CCCC[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000159788780 197364613 /nfs/dbraw/zinc/36/46/13/197364613.db2.gz GDVKNMKUZWRYTH-CYBMUJFWSA-N 0 3 321.377 2.079 20 5 DEBDHN CCOC(=O)[C@@H](C)[C@@H](C)NCCOc1ccccc1[N+](=O)[O-] ZINC000273993397 211250672 /nfs/dbraw/zinc/25/06/72/211250672.db2.gz JXJJXKZSFKPPPA-NWDGAFQWSA-N 0 3 310.350 2.151 20 5 DEBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@H]2[C@H]2CCCO2)c1 ZINC000284781316 218174454 /nfs/dbraw/zinc/17/44/54/218174454.db2.gz NJXBPQWGVJWQQP-ARFHVFGLSA-N 0 3 306.362 2.272 20 5 DEBDHN CCOC(=O)N1CC[C@H](N[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000285146189 218308414 /nfs/dbraw/zinc/30/84/14/218308414.db2.gz LZXITQFXQARVKV-JQWIXIFHSA-N 0 3 322.365 2.058 20 5 DEBDHN Cc1csc(=O)n1CCN(C)CCc1ccccc1[N+](=O)[O-] ZINC000285231001 218343285 /nfs/dbraw/zinc/34/32/85/218343285.db2.gz FXZVPDKQKRBPJU-UHFFFAOYSA-N 0 3 321.402 2.301 20 5 DEBDHN CC(C)COC[C@@H](O)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000285335599 218387471 /nfs/dbraw/zinc/38/74/71/218387471.db2.gz OHKPONHSVGRNEB-HNNXBMFYSA-N 0 3 310.394 2.103 20 5 DEBDHN O=[N+]([O-])c1ccc(NC[C@H]2CNCCO2)cc1C(F)(F)F ZINC000157413101 197185016 /nfs/dbraw/zinc/18/50/16/197185016.db2.gz SQNWCQHBKHRFGF-SECBINFHSA-N 0 3 305.256 2.014 20 5 DEBDHN COC[C@H](N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000542527266 285231618 /nfs/dbraw/zinc/23/16/18/285231618.db2.gz WOEVYLIOETWOPJ-YPMHNXCESA-N 0 3 309.366 2.182 20 5 DEBDHN COC[C@@H](NCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(C)C ZINC000543453249 285287955 /nfs/dbraw/zinc/28/79/55/285287955.db2.gz JDWKKIOMDQCTFT-CQSZACIVSA-N 0 3 309.366 2.102 20 5 DEBDHN C[C@@H](CN(C)C)NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000289608894 221100178 /nfs/dbraw/zinc/10/01/78/221100178.db2.gz JBWPTZPLIAPZDU-QMMMGPOBSA-N 0 3 300.746 2.320 20 5 DEBDHN Cc1cnn([C@H]2CCN(CCOc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000289907957 221307850 /nfs/dbraw/zinc/30/78/50/221307850.db2.gz NUOHXZHTCNACDM-HNNXBMFYSA-N 0 3 316.361 2.426 20 5 DEBDHN CCO[C@@H]1C[C@@H](N(C)CCn2ccc([N+](=O)[O-])n2)C12CCC2 ZINC000120952741 195271366 /nfs/dbraw/zinc/27/13/66/195271366.db2.gz LBYBLZVVBYOIMN-CHWSQXEVSA-N 0 3 308.382 2.071 20 5 DEBDHN C[C@@H](N[C@@H]1CCCN(CCCO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000297265849 533520689 /nfs/dbraw/zinc/52/06/89/533520689.db2.gz KJAFIXRYSOYBNZ-UKRRQHHQSA-N 0 3 307.394 2.092 20 5 DEBDHN CSC1(CNc2ncc([N+](=O)[O-])cc2F)CCN(C)CC1 ZINC000413315601 533514258 /nfs/dbraw/zinc/51/42/58/533514258.db2.gz VOWKKPDKOWTMMO-UHFFFAOYSA-N 0 3 314.386 2.368 20 5 DEBDHN O=[N+]([O-])c1ccc(CN[C@H](C2CC2)[C@]2(CO)CCCO2)cc1 ZINC000339764458 296504051 /nfs/dbraw/zinc/50/40/51/296504051.db2.gz GEOSBLZHBUSVOY-HZPDHXFCSA-N 0 3 306.362 2.005 20 5 DEBDHN CC(C)=CCCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000564562548 292099619 /nfs/dbraw/zinc/09/96/19/292099619.db2.gz IJOUYAZAQQIKEK-UHFFFAOYSA-N 0 3 312.391 2.314 20 5 DEBDHN C[C@H](C(=O)N1CCC[C@H]2CN(C)C[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000564871950 292117009 /nfs/dbraw/zinc/11/70/09/292117009.db2.gz RSFSFQXLDYMFJU-DUVNUKRYSA-N 0 3 317.389 2.251 20 5 DEBDHN C[C@@H]1CC[C@H](C)N1CC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000346236283 146043896 /nfs/dbraw/zinc/04/38/96/146043896.db2.gz GUWLXYUYHOETBO-BETUJISGSA-N 0 3 305.378 2.126 20 5 DEBDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000346236285 146044528 /nfs/dbraw/zinc/04/45/28/146044528.db2.gz GUWLXYUYHOETBO-CHWSQXEVSA-N 0 3 305.378 2.126 20 5 DEBDHN Cc1cccc(C(=O)N(C)C[C@@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000115439111 401827560 /nfs/dbraw/zinc/82/75/60/401827560.db2.gz UDFISSDCKLRKKY-CYBMUJFWSA-N 0 3 305.378 2.317 20 5 DEBDHN CN(CCC1CC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000135273932 401932907 /nfs/dbraw/zinc/93/29/07/401932907.db2.gz NZNCMMPLDRWQAN-OAHLLOKOSA-N 0 3 303.362 2.432 20 5 DEBDHN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cccnc1 ZINC000119063638 401923221 /nfs/dbraw/zinc/92/32/21/401923221.db2.gz TTYKZMYKOKVPPS-UHFFFAOYSA-N 0 3 314.345 2.450 20 5 DEBDHN CC(C)O[C@@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000566174005 292214650 /nfs/dbraw/zinc/21/46/50/292214650.db2.gz URFVADUXTIKZDS-CYBMUJFWSA-N 0 3 321.377 2.423 20 5 DEBDHN CCOc1ccc([C@@H](C)NCCCNC(C)=O)cc1[N+](=O)[O-] ZINC000152709757 402104922 /nfs/dbraw/zinc/10/49/22/402104922.db2.gz ZWSGHBDSZJUCQW-LLVKDONJSA-N 0 3 309.366 2.170 20 5 DEBDHN CCCN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000123849428 402150557 /nfs/dbraw/zinc/15/05/57/402150557.db2.gz IIDBIYSYDHYNKI-UHFFFAOYSA-N 0 3 309.366 2.017 20 5 DEBDHN C[C@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000124655359 402190382 /nfs/dbraw/zinc/19/03/82/402190382.db2.gz XXZGPLHJMWLULL-GFCCVEGCSA-N 0 3 321.381 2.232 20 5 DEBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](N(C)C)C2)c1 ZINC000068341356 402194508 /nfs/dbraw/zinc/19/45/08/402194508.db2.gz UVFQLEHFYSSIGQ-NSHDSACASA-N 0 3 323.418 2.483 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H](C)CN1CCN(C)CC1 ZINC000155004577 402241226 /nfs/dbraw/zinc/24/12/26/402241226.db2.gz GASFAZRFTOPSFV-HUUCEWRRSA-N 0 3 320.437 2.190 20 5 DEBDHN CC[C@H](N[C@H](C)CN1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000155063423 402243914 /nfs/dbraw/zinc/24/39/14/402243914.db2.gz HECCWZXBZDTXTK-PBHICJAKSA-N 0 3 320.437 2.271 20 5 DEBDHN Cc1cc(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)cc([N+](=O)[O-])c1 ZINC000177189425 402379739 /nfs/dbraw/zinc/37/97/39/402379739.db2.gz NPQHNFSYYZVHBX-AAEUAGOBSA-N 0 3 303.362 2.258 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1CNC1CCC2(CC1)OCCO2 ZINC000161869313 402402053 /nfs/dbraw/zinc/40/20/53/402402053.db2.gz DODUKNBGNBKMGR-UHFFFAOYSA-N 0 3 322.361 2.379 20 5 DEBDHN Cc1ccc(C(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000247296920 402562831 /nfs/dbraw/zinc/56/28/31/402562831.db2.gz GTABZOVHLHFSSB-TZMCWYRMSA-N 0 3 305.378 2.315 20 5 DEBDHN COc1ccc(OCCN(CC(C)(C)O)C2CC2)c([N+](=O)[O-])c1 ZINC000189863114 402563378 /nfs/dbraw/zinc/56/33/78/402563378.db2.gz LAHNCALXYVTNMQ-UHFFFAOYSA-N 0 3 324.377 2.218 20 5 DEBDHN COCCCN(CCO)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000189901728 402565736 /nfs/dbraw/zinc/56/57/36/402565736.db2.gz RWLUBHKDNHNSGJ-UHFFFAOYSA-N 0 3 302.758 2.079 20 5 DEBDHN COC(=O)[C@@H](C)CN(Cc1ccc(OC)c([N+](=O)[O-])c1)C1CC1 ZINC000171299009 402575706 /nfs/dbraw/zinc/57/57/06/402575706.db2.gz XPADGAWACGYQOW-NSHDSACASA-N 0 3 322.361 2.377 20 5 DEBDHN COc1cc(C(=O)N(C)C2CCN(C)CC2)cc([N+](=O)[O-])c1C ZINC000190234584 402586585 /nfs/dbraw/zinc/58/65/85/402586585.db2.gz OABMCCVHPMOVPI-UHFFFAOYSA-N 0 3 321.377 2.078 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCCN(C)C1 ZINC000171733250 402616232 /nfs/dbraw/zinc/61/62/32/402616232.db2.gz CTJHHBMAIVMEEX-NSHDSACASA-N 0 3 322.365 2.067 20 5 DEBDHN COc1cc(C(=O)N2CCC[C@H](N(C)C)C2)cc([N+](=O)[O-])c1C ZINC000191102850 402641880 /nfs/dbraw/zinc/64/18/80/402641880.db2.gz PDXAKAAIRYYZRJ-ZDUSSCGKSA-N 0 3 321.377 2.078 20 5 DEBDHN CN1CCC[C@@H](CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000255002262 402674701 /nfs/dbraw/zinc/67/47/01/402674701.db2.gz UDNQERMWIJMLMX-PIZKADEWSA-N 0 3 303.362 2.066 20 5 DEBDHN CO[C@@H](C)[C@H](C)N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000191703636 402687078 /nfs/dbraw/zinc/68/70/78/402687078.db2.gz GGICAHLYJWRIIC-SRVKXCTJSA-N 0 3 309.366 2.243 20 5 DEBDHN CC(C)OCCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173463834 402699131 /nfs/dbraw/zinc/69/91/31/402699131.db2.gz YBFIRNJFODBHTQ-CYBMUJFWSA-N 0 3 308.382 2.291 20 5 DEBDHN Cc1ccc(N2C(=O)NC(CC(F)(F)F)C2=O)cc1[N+](=O)[O-] ZINC000278150527 402860112 /nfs/dbraw/zinc/86/01/12/402860112.db2.gz SOWOGFBOXBVAME-MRVPVSSYSA-N 0 3 317.223 2.280 20 5 DEBDHN C[C@@H](NC(=O)C12CCCN1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000278810945 402873753 /nfs/dbraw/zinc/87/37/53/402873753.db2.gz IAHAPOMPNSWOMQ-GFCCVEGCSA-N 0 3 303.362 2.400 20 5 DEBDHN COc1cc(CN[C@@H](CO)C(C)(C)C)c([N+](=O)[O-])cc1F ZINC000278881015 402881180 /nfs/dbraw/zinc/88/11/80/402881180.db2.gz TXJPFJWLZXVQKW-ZDUSSCGKSA-N 0 3 300.330 2.239 20 5 DEBDHN COc1ccc(OCCN2CCC[C@](C)(OC)C2)c([N+](=O)[O-])c1 ZINC000279251145 402922430 /nfs/dbraw/zinc/92/24/30/402922430.db2.gz HCYKDGWBZISGCP-INIZCTEOSA-N 0 3 324.377 2.483 20 5 DEBDHN CN(C)CCN(CC1CCCCC1)c1ncc([N+](=O)[O-])cn1 ZINC000273698342 403026402 /nfs/dbraw/zinc/02/64/02/403026402.db2.gz CIHZGPFDUKIOLT-UHFFFAOYSA-N 0 3 307.398 2.333 20 5 DEBDHN CC(C)N(Cc1cccs1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266614211 402979039 /nfs/dbraw/zinc/97/90/39/402979039.db2.gz RTJUCRJICGQVOV-CYBMUJFWSA-N 0 3 324.406 2.124 20 5 DEBDHN Cc1cc(N[C@H](C)CCN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000274426473 403054658 /nfs/dbraw/zinc/05/46/58/403054658.db2.gz DEXXZWJUFSAXCU-CQSZACIVSA-N 0 3 306.410 2.341 20 5 DEBDHN CS[C@@H]1CN(c2cc(C)c([N+](=O)[O-])cn2)C[C@@H]1N1CCCC1 ZINC000274668839 403076793 /nfs/dbraw/zinc/07/67/93/403076793.db2.gz KTNXHNVITZXKRZ-UONOGXRCSA-N 0 3 322.434 2.314 20 5 DEBDHN CCOC(=O)c1cc(NC2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000269356934 403133179 /nfs/dbraw/zinc/13/31/79/403133179.db2.gz LNYJYYOXADNXPF-UHFFFAOYSA-N 0 3 307.350 2.278 20 5 DEBDHN Cc1csc(=O)n1CCN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282441731 403154426 /nfs/dbraw/zinc/15/44/26/403154426.db2.gz KYTKTAGVPGGNBL-UHFFFAOYSA-N 0 3 321.402 2.301 20 5 DEBDHN Cc1nc(NCCCN2CCCO[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000277320534 403204775 /nfs/dbraw/zinc/20/47/75/403204775.db2.gz BXCKVEVPPQWXHU-GFCCVEGCSA-N 0 3 308.382 2.211 20 5 DEBDHN CCC1(CO)CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000270910987 403238775 /nfs/dbraw/zinc/23/87/75/403238775.db2.gz QDFLMDGWGHHLBL-HNNXBMFYSA-N 0 3 308.378 2.113 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000277571762 403231925 /nfs/dbraw/zinc/23/19/25/403231925.db2.gz LFCRDNPBMGUIEK-SMDDNHRTSA-N 0 3 321.377 2.016 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NCC2(N(C)C)CCC2)c1 ZINC000283297129 403187472 /nfs/dbraw/zinc/18/74/72/403187472.db2.gz XGANKBTVHZWVJX-UHFFFAOYSA-N 0 3 321.377 2.208 20 5 DEBDHN CS[C@H]1CN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000270433640 403191327 /nfs/dbraw/zinc/19/13/27/403191327.db2.gz GLGLZIYGOIMJBG-KBPBESRZSA-N 0 3 323.418 2.021 20 5 DEBDHN CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCCO1 ZINC000342639078 403292061 /nfs/dbraw/zinc/29/20/61/403292061.db2.gz VZBLWAIQPKJENX-HNNXBMFYSA-N 0 3 321.377 2.424 20 5 DEBDHN COc1cc(CN[C@H]2CCO[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000271218842 403280933 /nfs/dbraw/zinc/28/09/33/403280933.db2.gz FOBYFOYPGGWNKD-JQWIXIFHSA-N 0 3 310.350 2.269 20 5 DEBDHN CCN1CCC(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000342919438 403396427 /nfs/dbraw/zinc/39/64/27/403396427.db2.gz BTOUOBQNINXOEJ-UHFFFAOYSA-N 0 3 316.361 2.290 20 5 DEBDHN Cc1n[nH]cc1CN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000331635489 403436771 /nfs/dbraw/zinc/43/67/71/403436771.db2.gz OTJZXIXHQXYPTO-QWHCGFSZSA-N 0 3 304.354 2.096 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000332036421 403467219 /nfs/dbraw/zinc/46/72/19/403467219.db2.gz WWTJMSVTYIPRLY-XJKSGUPXSA-N 0 3 317.389 2.378 20 5 DEBDHN CCN1CCC(Nc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000286248430 403481985 /nfs/dbraw/zinc/48/19/85/403481985.db2.gz VCHMBINNZHNTAE-UHFFFAOYSA-N 0 3 307.379 2.496 20 5 DEBDHN CCN1C[C@H](C)N(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1C ZINC000332233390 403523954 /nfs/dbraw/zinc/52/39/54/403523954.db2.gz MWZTZHXHSFERPQ-NEPJUHHUSA-N 0 3 317.393 2.386 20 5 DEBDHN CCCN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000343558070 403636650 /nfs/dbraw/zinc/63/66/50/403636650.db2.gz UIVMOVLHSHQHKK-CYBMUJFWSA-N 0 3 321.377 2.208 20 5 DEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC[C@@H](C(N)=O)C1 ZINC000347335013 403668980 /nfs/dbraw/zinc/66/89/80/403668980.db2.gz JUQZUJIWGFOADW-ICDLMJIXSA-N 0 3 303.362 2.195 20 5 DEBDHN COc1ncccc1CCN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294284449 403693022 /nfs/dbraw/zinc/69/30/22/403693022.db2.gz MOFICOCSARZYON-NSHDSACASA-N 0 3 316.361 2.474 20 5 DEBDHN Cc1nc(N2CCC[C@H]2CN2CCCCC2)ncc1[N+](=O)[O-] ZINC000295032476 403741299 /nfs/dbraw/zinc/74/12/99/403741299.db2.gz NFOOZGMWIKZJSI-ZDUSSCGKSA-N 0 3 305.382 2.148 20 5 DEBDHN C[C@H](NC(=O)N[C@@H]1CCCN(C)[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000343937806 403799617 /nfs/dbraw/zinc/79/96/17/403799617.db2.gz QFJKVCRRYILHOX-SGMGOOAPSA-N 0 3 320.393 2.438 20 5 DEBDHN CC(=O)NCC[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000347677441 403802528 /nfs/dbraw/zinc/80/25/28/403802528.db2.gz MQZYXEUXSZSQGP-CQSZACIVSA-N 0 3 305.378 2.333 20 5 DEBDHN C[C@@H]1CC[C@H](C)N1CC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000344265712 404018185 /nfs/dbraw/zinc/01/81/85/404018185.db2.gz VIANUEQPCCVUIF-BETUJISGSA-N 0 3 305.378 2.126 20 5 DEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@H]1Cc1ccccc1 ZINC000341578193 404048072 /nfs/dbraw/zinc/04/80/72/404048072.db2.gz DIEQHSANPCEIPA-OAHLLOKOSA-N 0 3 313.357 2.074 20 5 DEBDHN O=[N+]([O-])c1cccc(CNC[C@@H](O)COc2ccccc2F)c1 ZINC000320326150 404065564 /nfs/dbraw/zinc/06/55/64/404065564.db2.gz XMOXKURAXUKTCT-CQSZACIVSA-N 0 3 320.320 2.263 20 5 DEBDHN C[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCN(C2CC2)C1 ZINC000296833596 404333136 /nfs/dbraw/zinc/33/31/36/404333136.db2.gz WRCREDUISHGUHQ-CXAGYDPISA-N 0 3 319.405 2.044 20 5 DEBDHN O=C(NC1CCN(C2CCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000296841623 404338338 /nfs/dbraw/zinc/33/83/38/404338338.db2.gz FNYRQEBNMILYAQ-UHFFFAOYSA-N 0 3 303.362 2.342 20 5 DEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@@H]1CCCS(=O)(=O)C1 ZINC000344797539 404373845 /nfs/dbraw/zinc/37/38/45/404373845.db2.gz WUUIJIAKWPRMPM-CEFACKQISA-N 0 3 324.402 2.165 20 5 DEBDHN C[C@@H]1[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCCN1C ZINC000345006827 404496149 /nfs/dbraw/zinc/49/61/49/404496149.db2.gz LLZFPWZQEXKSAI-ZYHUDNBSSA-N 0 3 316.361 2.289 20 5 DEBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@@H](O)CC(F)(F)F ZINC000352538963 404443604 /nfs/dbraw/zinc/44/36/04/404443604.db2.gz RIDRVJIIFDYDFM-NSHDSACASA-N 0 3 306.284 2.382 20 5 DEBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NCc2cccnc2)n1 ZINC000351526339 404626954 /nfs/dbraw/zinc/62/69/54/404626954.db2.gz WTGPVWSCQRBECK-UONOGXRCSA-N 0 3 301.350 2.460 20 5 DEBDHN O=[N+]([O-])c1ccn(C2CCN(CCc3cccnc3)CC2)n1 ZINC000365506497 404678271 /nfs/dbraw/zinc/67/82/71/404678271.db2.gz GCUQMQMUZWWACS-UHFFFAOYSA-N 0 3 301.350 2.066 20 5 DEBDHN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000374075713 404686985 /nfs/dbraw/zinc/68/69/85/404686985.db2.gz WDEHFTLXGXSODM-COMQUAJESA-N 0 3 322.409 2.090 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000414666926 404704194 /nfs/dbraw/zinc/70/41/94/404704194.db2.gz XBZDWUCRVDGYQH-MFKMUULPSA-N 0 3 322.365 2.138 20 5 DEBDHN CN1CCC2(CCN(Cc3ccccc3[N+](=O)[O-])CC2)C1=O ZINC000365736075 404712191 /nfs/dbraw/zinc/71/21/91/404712191.db2.gz MUPAHXURANXULB-UHFFFAOYSA-N 0 3 303.362 2.039 20 5 DEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC2(C1)CCCC2 ZINC000376936830 404830935 /nfs/dbraw/zinc/83/09/35/404830935.db2.gz GJWVKLZSBABZMO-ZDUSSCGKSA-N 0 3 306.362 2.211 20 5 DEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000415572889 404886744 /nfs/dbraw/zinc/88/67/44/404886744.db2.gz BOXGDXXYZDRIAF-NEPJUHHUSA-N 0 3 306.366 2.426 20 5 DEBDHN CCOc1cc(CN2CC[C@@](O)(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000366917825 404869966 /nfs/dbraw/zinc/86/99/66/404869966.db2.gz QTHJLUSAQXRMBJ-INIZCTEOSA-N 0 3 306.362 2.340 20 5 DEBDHN CC(C)c1ccc(CNC[C@@H]2CC[C@@H](CO)O2)cc1[N+](=O)[O-] ZINC000353693642 404924922 /nfs/dbraw/zinc/92/49/22/404924922.db2.gz XLRSWIYWUAMIRX-KBPBESRZSA-N 0 3 308.378 2.348 20 5 DEBDHN Cc1ccc(NC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000378491733 404981508 /nfs/dbraw/zinc/98/15/08/404981508.db2.gz GMAZOBVPZOTACS-SWLSCSKDSA-N 0 3 318.377 2.461 20 5 DEBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000367834263 405168252 /nfs/dbraw/zinc/16/82/52/405168252.db2.gz FMBFWQLHQROHGN-WCQYABFASA-N 0 3 321.352 2.433 20 5 DEBDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000452778994 405241735 /nfs/dbraw/zinc/24/17/35/405241735.db2.gz SBEKHYMEEGUIIS-LBPRGKRZSA-N 0 3 308.382 2.163 20 5 DEBDHN CC(C)[C@H]1CN(C)CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000425479461 405297345 /nfs/dbraw/zinc/29/73/45/405297345.db2.gz OCPWSIGRQCAIEQ-MRXNPFEDSA-N 0 3 307.394 2.246 20 5 DEBDHN CCOc1cc(CN2C[C@H](C)C[C@@H](CO)C2)ccc1[N+](=O)[O-] ZINC000420932202 405408777 /nfs/dbraw/zinc/40/87/77/405408777.db2.gz DVOHPGLGJHIDID-TZMCWYRMSA-N 0 3 308.378 2.444 20 5 DEBDHN CN(C(=O)CN1CC[C@H]2CCC[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000426461741 405361685 /nfs/dbraw/zinc/36/16/85/405361685.db2.gz TUFFXRMHNYURLJ-IUODEOHRSA-N 0 3 303.362 2.432 20 5 DEBDHN Cc1ccc([C@@H](C)NC(=O)NC[C@H](C)N(C)C)cc1[N+](=O)[O-] ZINC000454594953 405368804 /nfs/dbraw/zinc/36/88/04/405368804.db2.gz CWWOSINCXIJTQY-NWDGAFQWSA-N 0 3 308.382 2.214 20 5 DEBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCCN1CCSCC1 ZINC000580095438 405585926 /nfs/dbraw/zinc/58/59/26/405585926.db2.gz UBMBYUPCFFUKPX-AWEZNQCLSA-N 0 3 307.419 2.221 20 5 DEBDHN COc1cc(C(=O)N(C)[C@H]2CCN(C(C)C)C2)ccc1[N+](=O)[O-] ZINC000457123537 405712314 /nfs/dbraw/zinc/71/23/14/405712314.db2.gz PCZNNQSUXKXJIH-ZDUSSCGKSA-N 0 3 321.377 2.158 20 5 DEBDHN Cc1cc(C(=O)N(C)[C@H]2CCN(C(C)C)C2)cc([N+](=O)[O-])c1 ZINC000457137190 405719538 /nfs/dbraw/zinc/71/95/38/405719538.db2.gz XCSMTRCXAZJAOU-AWEZNQCLSA-N 0 3 305.378 2.458 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@H]2CCN(C)[C@H]2C1 ZINC000583608663 405771235 /nfs/dbraw/zinc/77/12/35/405771235.db2.gz FQPPZMZPTNSQQW-KGLIPLIRSA-N 0 3 317.389 2.296 20 5 DEBDHN CCc1ccc2nccc(NCCn3cc([N+](=O)[O-])cn3)c2c1 ZINC000450388665 405872305 /nfs/dbraw/zinc/87/23/05/405872305.db2.gz IMQAJFRILPOETO-UHFFFAOYSA-N 0 3 311.345 2.436 20 5 DEBDHN CC[C@@H]1C[C@H]1CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000567696816 406122200 /nfs/dbraw/zinc/12/22/00/406122200.db2.gz ITSRYSIHFQHCDE-NEPJUHHUSA-N 0 3 312.391 2.004 20 5 DEBDHN CCOC(=O)CC[C@@H](O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000567725883 406126564 /nfs/dbraw/zinc/12/65/64/406126564.db2.gz NEWLOLCHWYFDTI-GXTWGEPZSA-N 0 3 324.377 2.258 20 5 DEBDHN C[C@@H]1[C@H](Nc2c3ccccc3ncc2[N+](=O)[O-])CCCN1C ZINC000488130589 406296667 /nfs/dbraw/zinc/29/66/67/406296667.db2.gz SSBWJYGSBCNVEA-DGCLKSJQSA-N 0 3 300.362 2.460 20 5 DEBDHN C[C@@H]1CCN(CCNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000524720094 406454792 /nfs/dbraw/zinc/45/47/92/406454792.db2.gz XPBHAJSVRJKPSW-LLVKDONJSA-N 0 3 316.361 2.148 20 5 DEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCCN1CCCC1=O ZINC000571807765 406569360 /nfs/dbraw/zinc/56/93/60/406569360.db2.gz GYNCLPKKSMTVEQ-RAXLEYEMSA-N 0 3 303.362 2.210 20 5 DEBDHN C[C@H]1CCN(CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000525803719 406504161 /nfs/dbraw/zinc/50/41/61/406504161.db2.gz FMPXPHJZQDSVMP-NSHDSACASA-N 0 3 317.345 2.413 20 5 DEBDHN CCN(CCNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000491530625 406611887 /nfs/dbraw/zinc/61/18/87/406611887.db2.gz CFAXNRKHVXTIJG-YWEYNIOJSA-N 0 3 321.352 2.348 20 5 DEBDHN CCCN(CCN(C)C)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000491938046 406783350 /nfs/dbraw/zinc/78/33/50/406783350.db2.gz LEBURRHJMZFMFJ-HJWRWDBZSA-N 0 3 305.378 2.408 20 5 DEBDHN Cc1ccc([C@H](C)N[C@@H]2CCCN(CCCO)C2)cc1[N+](=O)[O-] ZINC000297397673 227115525 /nfs/dbraw/zinc/11/55/25/227115525.db2.gz SHNFOZLQIYTXMJ-GOEBONIOSA-N 0 3 321.421 2.401 20 5 DEBDHN Cc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)N(C)C)cc1 ZINC000299307091 229040830 /nfs/dbraw/zinc/04/08/30/229040830.db2.gz CRUDIXOPRXKMDC-AWEZNQCLSA-N 0 3 316.361 2.264 20 5 DEBDHN CC(COC(=O)c1noc2c1CCc1ccccc1-2)[N+](=O)[O-] ZINC001348533209 1151167850 /nfs/dbraw/zinc/16/78/50/1151167850.db2.gz JDDARZHYAZJJFY-VIFPVBQESA-N 0 3 302.286 2.262 20 5 DEBDHN CC(C)Oc1nc(N[C@H]2C[C@H](C)N(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000594566130 425013250 /nfs/dbraw/zinc/01/32/50/425013250.db2.gz AWPAWFFTCOLKQL-RYUDHWBXSA-N 0 3 320.393 2.814 20 5 DEBDHN CN(CCN1CCCC1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087297050 267394320 /nfs/dbraw/zinc/39/43/20/267394320.db2.gz FNAXGMVJTPOTCT-UHFFFAOYSA-N 0 3 305.378 2.082 20 5 DEBDHN Cc1c(CN2CC[C@@H](CN3CCOC3=O)C2)cccc1[N+](=O)[O-] ZINC000496759982 269249410 /nfs/dbraw/zinc/24/94/10/269249410.db2.gz PWXDKXMRYLVRSL-CYBMUJFWSA-N 0 3 319.361 2.177 20 5 DEBDHN C[C@@H]1CSC[C@@H]1N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000507222646 269315515 /nfs/dbraw/zinc/31/55/15/269315515.db2.gz VUUCVRRFMHWIPZ-HONMWMINSA-N 0 3 321.402 2.041 20 5 DEBDHN C[C@@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000124655147 274223012 /nfs/dbraw/zinc/22/30/12/274223012.db2.gz XXZGPLHJMWLULL-LBPRGKRZSA-N 0 3 321.381 2.232 20 5 DEBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000268240622 274344186 /nfs/dbraw/zinc/34/41/86/274344186.db2.gz UXMXKOQIGNDYDM-NOZJJQNGSA-N 0 3 323.780 2.461 20 5 DEBDHN C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000177651580 274389593 /nfs/dbraw/zinc/38/95/93/274389593.db2.gz MGWKFZBVVRSRNQ-DGCLKSJQSA-N 0 3 318.377 2.019 20 5 DEBDHN C[C@H](N[C@]1(C)CCO[C@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000494258161 274531625 /nfs/dbraw/zinc/53/16/25/274531625.db2.gz XYIFZKICQWJTAF-ZIBATOQPSA-N 0 3 307.350 2.079 20 5 DEBDHN CC(C)c1ccc(CNC[C@@H](CO)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000360766394 278037467 /nfs/dbraw/zinc/03/74/67/278037467.db2.gz RWELLTWRDYJSDH-CABCVRRESA-N 0 3 322.405 2.453 20 5 DEBDHN C[C@H]1CN(c2ccc([N+](=O)[O-])cc2)CC[C@H]1N1CCN(C)CC1 ZINC000374308723 279883058 /nfs/dbraw/zinc/88/30/58/279883058.db2.gz HHBJCTMXPYWXLL-WMLDXEAASA-N 0 3 318.421 2.057 20 5 DEBDHN CC[C@@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])N(CC)CC ZINC000345608613 280077163 /nfs/dbraw/zinc/07/71/63/280077163.db2.gz NLSXTEFRUPYECO-AWEZNQCLSA-N 0 3 322.409 2.243 20 5 DEBDHN CN1CC[C@]2(CCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])C2)C1 ZINC000292317311 290250915 /nfs/dbraw/zinc/25/09/15/290250915.db2.gz STTWMGUQAKTALY-HNNXBMFYSA-N 0 3 323.780 2.416 20 5 DEBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000288444060 300498490 /nfs/dbraw/zinc/49/84/90/300498490.db2.gz OYOOPEIATIRKNY-STQMWFEESA-N 0 3 303.362 2.294 20 5 DEBDHN CC(F)(F)CCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000573677084 326080240 /nfs/dbraw/zinc/08/02/40/326080240.db2.gz RTPNYNDROPRJLJ-UHFFFAOYSA-N 0 3 322.333 2.003 20 5 DEBDHN CCOC1CC(O)(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000574146868 326126842 /nfs/dbraw/zinc/12/68/42/326126842.db2.gz MQMGDUMWOVFJGD-YGONEPDPSA-N 0 3 308.378 2.484 20 5 DEBDHN CC(C)Oc1nc(N(C)C[C@@H]2CCCN2C)ccc1[N+](=O)[O-] ZINC000576480077 326297136 /nfs/dbraw/zinc/29/71/36/326297136.db2.gz TZSUOHZWZLAKJB-LBPRGKRZSA-N 0 3 308.382 2.307 20 5 DEBDHN C[C@H]1C[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)CCN1C ZINC000331328141 534102139 /nfs/dbraw/zinc/10/21/39/534102139.db2.gz QNJUHYDQOZIAMK-JSGCOSHPSA-N 0 3 305.378 2.126 20 5 DEBDHN CCN(C)C(=O)CCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000130733052 520142060 /nfs/dbraw/zinc/14/20/60/520142060.db2.gz XYSPBPSTSDYWOY-UHFFFAOYSA-N 0 3 305.378 2.428 20 5 DEBDHN CCN1CCC[C@@H]1CNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000159908771 521635661 /nfs/dbraw/zinc/63/56/61/521635661.db2.gz RGKRAEJNJMYAHC-CQSZACIVSA-N 0 3 305.378 2.046 20 5 DEBDHN CN(CCCn1ccnc1)CCOc1ccccc1[N+](=O)[O-] ZINC000124449113 522804153 /nfs/dbraw/zinc/80/41/53/522804153.db2.gz OVBMVGNURYPDHO-UHFFFAOYSA-N 0 3 304.350 2.192 20 5 DEBDHN COC[C@H]1CCCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000364127486 522818941 /nfs/dbraw/zinc/81/89/41/522818941.db2.gz OARVYWHYIYIKJJ-XJKSGUPXSA-N 0 3 308.378 2.377 20 5 DEBDHN Cc1cc(N2CCC(OCCN(C)C)CC2)ccc1[N+](=O)[O-] ZINC000338288474 525059436 /nfs/dbraw/zinc/05/94/36/525059436.db2.gz KGVRIRLHGBSTBP-UHFFFAOYSA-N 0 3 307.394 2.450 20 5 DEBDHN Cc1c(CN[C@H](C2CC2)[C@@]2(CO)CCCO2)cccc1[N+](=O)[O-] ZINC000339769542 525727176 /nfs/dbraw/zinc/72/71/76/525727176.db2.gz NPKYOTHEVIMIBM-SJORKVTESA-N 0 3 320.389 2.313 20 5 DEBDHN CCCN1C[C@@H](CNCc2ccc([N+](=O)[O-])cc2F)CC1=O ZINC000421348204 528291120 /nfs/dbraw/zinc/29/11/20/528291120.db2.gz GUEPFWHHQSRTMW-LLVKDONJSA-N 0 3 309.341 2.082 20 5 DEBDHN CC(C)(C)[C@@H]1NC(=O)CC[C@@H]1NCc1csc([N+](=O)[O-])c1 ZINC000353118971 535088534 /nfs/dbraw/zinc/08/85/34/535088534.db2.gz NEUDRUAIFNJPAS-GXFFZTMASA-N 0 3 311.407 2.439 20 5 DEBDHN CN1CCC2(CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000362390229 536348047 /nfs/dbraw/zinc/34/80/47/536348047.db2.gz SZLITGGYPRXISC-UHFFFAOYSA-N 0 3 317.389 2.224 20 5 DEBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H](C)C(C)(C)OC)c1 ZINC000932372889 622806611 /nfs/dbraw/zinc/80/66/11/622806611.db2.gz URIGCSSEXCZDNJ-SNVBAGLBSA-N 0 3 310.350 2.285 20 5 DEBDHN O=C(N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1)c1ccco1 ZINC001021783007 624075395 /nfs/dbraw/zinc/07/53/95/624075395.db2.gz ZCCPLXXXQXPZOV-BETUJISGSA-N 0 3 315.329 2.238 20 5 DEBDHN Cc1ccnc(NC2CCN(C[C@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000734479564 633373926 /nfs/dbraw/zinc/37/39/26/633373926.db2.gz WGDFJROCZWEYFJ-CQSZACIVSA-N 0 3 320.393 2.354 20 5 DEBDHN CCS(=O)(=O)CCCNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000840973793 635973033 /nfs/dbraw/zinc/97/30/33/635973033.db2.gz UZOQJMKFCKPAPH-UHFFFAOYSA-N 0 3 320.798 2.163 20 5 DEBDHN CN1C[C@@H](CCNCc2cc([N+](=O)[O-])ccc2Cl)CC1=O ZINC000922489632 636200472 /nfs/dbraw/zinc/20/04/72/636200472.db2.gz RLMMOJVBFJOQMM-JTQLQIEISA-N 0 3 311.769 2.206 20 5 DEBDHN C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000894658337 637151046 /nfs/dbraw/zinc/15/10/46/637151046.db2.gz VNOREUPJNNEEPE-DMDPSCGWSA-N 0 3 312.391 2.069 20 5 DEBDHN CC(C)Oc1cc(C(=O)N[C@H]2CCN(C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000928432206 637192168 /nfs/dbraw/zinc/19/21/68/637192168.db2.gz QIEXYQXHGHOOFQ-YPMHNXCESA-N 0 3 321.377 2.204 20 5 DEBDHN C[C@@H]1[C@@H](Nc2c3cc(F)ccc3ncc2[N+](=O)[O-])CCN1C ZINC000895736053 638177783 /nfs/dbraw/zinc/17/77/83/638177783.db2.gz ZYVVLZUJHVMANX-SKDRFNHKSA-N 0 3 304.325 2.209 20 5 DEBDHN COc1c(O)ccc(CN2C[C@@H]3CSC[C@@H]3C2)c1[N+](=O)[O-] ZINC000896045054 638322845 /nfs/dbraw/zinc/32/28/45/638322845.db2.gz CHQQHMYVQJRSKL-PHIMTYICSA-N 0 3 310.375 2.104 20 5 DEBDHN C[C@@H](N[C@H](C)[C@@H]1CCS(=O)(=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000896511139 638547139 /nfs/dbraw/zinc/54/71/39/638547139.db2.gz VNOREUPJNNEEPE-NQBHXWOUSA-N 0 3 312.391 2.069 20 5 DEBDHN CN1CC[C@H]1CNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000896594895 638602167 /nfs/dbraw/zinc/60/21/67/638602167.db2.gz DSBJKJNTJKPQQD-ZETCQYMHSA-N 0 3 320.212 2.213 20 5 DEBDHN O=[N+]([O-])c1ccc2c(cnn2CN2CC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000749800620 638683563 /nfs/dbraw/zinc/68/35/63/638683563.db2.gz RZLOJBWECFRSGY-OLZOCXBDSA-N 0 3 316.361 2.260 20 5 DEBDHN Cc1nn(CN2CCC[C@@H]2C2CC2)c2ncc([N+](=O)[O-])cc12 ZINC000749950703 638696631 /nfs/dbraw/zinc/69/66/31/638696631.db2.gz NTKIVHWVJDLEOB-CQSZACIVSA-N 0 3 301.350 2.480 20 5 DEBDHN CCOc1cc(CN[C@@H](CC(=O)OC)C2CC2)ccc1[N+](=O)[O-] ZINC000755048730 639510170 /nfs/dbraw/zinc/51/01/70/639510170.db2.gz PKAAHAHIKSTRIW-ZDUSSCGKSA-N 0 3 322.361 2.425 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(NC2CCN(C[C@@H]3CCCO3)CC2)n1 ZINC000765464468 640781332 /nfs/dbraw/zinc/78/13/32/640781332.db2.gz LBCCCRUCTOIOEH-AWEZNQCLSA-N 0 3 320.393 2.354 20 5 DEBDHN Cn1cnc(CNC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000898045214 640998750 /nfs/dbraw/zinc/99/87/50/640998750.db2.gz IWWKOLXRVQWEGP-UHFFFAOYSA-N 0 3 315.377 2.087 20 5 DEBDHN COc1cccc(C(=O)NC[C@H](C)N2CCCCC2)c1[N+](=O)[O-] ZINC000767693378 641012013 /nfs/dbraw/zinc/01/20/13/641012013.db2.gz MLIMFKAFQKINNO-LBPRGKRZSA-N 0 3 321.377 2.208 20 5 DEBDHN Cc1ccsc1[C@@H](CO)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000778165952 642346501 /nfs/dbraw/zinc/34/65/01/642346501.db2.gz VLBNBICWRWTNJL-ZIAGYGMSSA-N 0 3 322.386 2.321 20 5 DEBDHN O=[N+]([O-])c1cc2c(cc1-c1cc(CNC3CC3)on1)OCO2 ZINC000901398627 642649140 /nfs/dbraw/zinc/64/91/40/642649140.db2.gz WZBJPVOHXDKKOV-UHFFFAOYSA-N 0 3 303.274 2.231 20 5 DEBDHN Cc1ccccc1[C@@H](CO)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000782080078 642823211 /nfs/dbraw/zinc/82/32/11/642823211.db2.gz BQHCAJQNTFJZQZ-IAGOWNOFSA-N 0 3 316.357 2.260 20 5 DEBDHN COc1cc([C@H](C)N[C@H](C)CC[S@@](C)=O)cc([N+](=O)[O-])c1 ZINC000903125013 643260767 /nfs/dbraw/zinc/26/07/67/643260767.db2.gz JTLMEBMVLIMHHD-NNUHMIRASA-N 0 3 314.407 2.411 20 5 DEBDHN CO[C@@H]1CCOC[C@H]1N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000903296273 643309567 /nfs/dbraw/zinc/30/95/67/643309567.db2.gz DGMXKBLDHCQRJQ-ARFHVFGLSA-N 0 3 306.362 2.366 20 5 DEBDHN Cc1cc(-c2noc(C[C@H]3CSCCN3)n2)cc([N+](=O)[O-])c1 ZINC000843239473 650937165 /nfs/dbraw/zinc/93/71/65/650937165.db2.gz MDVKSXCJRUPEMD-NSHDSACASA-N 0 3 320.374 2.201 20 5 DEBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCCN1CC[C@H](C)C1 ZINC000843809783 651033434 /nfs/dbraw/zinc/03/34/34/651033434.db2.gz ABWDDYHNHZMJGH-JTQLQIEISA-N 0 3 309.341 2.114 20 5 DEBDHN Cc1cnn([C@@H]2CCN(C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000810121953 646326851 /nfs/dbraw/zinc/32/68/51/646326851.db2.gz UVDKVSYBHXSCTQ-HZPDHXFCSA-N 0 3 316.361 2.080 20 5 DEBDHN Cc1cnn([C@@H]2CCN(C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000810121951 646326869 /nfs/dbraw/zinc/32/68/69/646326869.db2.gz UVDKVSYBHXSCTQ-CVEARBPZSA-N 0 3 316.361 2.080 20 5 DEBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813103469 646728362 /nfs/dbraw/zinc/72/83/62/646728362.db2.gz BMPPRLJNMXMOBU-PWSUYJOCSA-N 0 3 310.306 2.372 20 5 DEBDHN CC(COC(=O)CCCc1nnc(-c2ccccc2)o1)[N+](=O)[O-] ZINC000813101966 646728392 /nfs/dbraw/zinc/72/83/92/646728392.db2.gz MCJUUNGHUGCNQN-LLVKDONJSA-N 0 3 319.317 2.268 20 5 DEBDHN CC(COC(=O)c1ccc(OC[C@H]2CCCO2)cc1)[N+](=O)[O-] ZINC000813102668 646728526 /nfs/dbraw/zinc/72/85/26/646728526.db2.gz IJYFSTUNGJPCHP-SMDDNHRTSA-N 0 3 309.318 2.066 20 5 DEBDHN Cc1ccc(-c2nc(C(=O)OCC(C)[N+](=O)[O-])cs2)n1C ZINC000813110073 646730501 /nfs/dbraw/zinc/73/05/01/646730501.db2.gz RVRIHIUKSJOUSJ-SECBINFHSA-N 0 3 309.347 2.279 20 5 DEBDHN CC(COC(=O)c1ccccc1Oc1cnn(C)c1)[N+](=O)[O-] ZINC000813112133 646731622 /nfs/dbraw/zinc/73/16/22/646731622.db2.gz CCZZLCDZHPLEDG-JTQLQIEISA-N 0 3 305.290 2.034 20 5 DEBDHN Cc1cc(F)ccc1-n1ccc(C(=O)OCC(C)[N+](=O)[O-])n1 ZINC000813113713 646732365 /nfs/dbraw/zinc/73/23/65/646732365.db2.gz TXKKGUILFXVBTQ-SNVBAGLBSA-N 0 3 307.281 2.142 20 5 DEBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000816949741 647203655 /nfs/dbraw/zinc/20/36/55/647203655.db2.gz CSECMTDIXMDUDJ-ZANVPECISA-N 0 3 309.753 2.024 20 5 DEBDHN Cc1cc(F)cc(C(=O)N(C)C[C@H]2CCCN2C)c1[N+](=O)[O-] ZINC000817490292 647304027 /nfs/dbraw/zinc/30/40/27/647304027.db2.gz BWBFUVQQSWTZBL-GFCCVEGCSA-N 0 3 309.341 2.209 20 5 DEBDHN CCn1nc(C)c(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)c1C ZINC000731678786 647501514 /nfs/dbraw/zinc/50/15/14/647501514.db2.gz POJRXLFEBCBCBS-INIZCTEOSA-N 0 3 318.377 2.251 20 5 DEBDHN CN1CCC[C@H](NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000918542485 648086580 /nfs/dbraw/zinc/08/65/80/648086580.db2.gz ZLMHFUWMBXLRRP-JTQLQIEISA-N 0 3 312.757 2.464 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N(C)C[C@@H]1CCCN1C ZINC000823752673 648478948 /nfs/dbraw/zinc/47/89/48/648478948.db2.gz IPKSPINCNOEPKV-ZDUSSCGKSA-N 0 3 305.378 2.378 20 5 DEBDHN Cc1cnn(C)c1C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845875612 651291054 /nfs/dbraw/zinc/29/10/54/651291054.db2.gz AFZMKJPWYREIIC-YGRLFVJLSA-N 0 3 321.308 2.431 20 5 DEBDHN CC([C@H](OC(=O)Cc1cnn(C)c1)c1ccccc1F)[N+](=O)[O-] ZINC000845877516 651291688 /nfs/dbraw/zinc/29/16/88/651291688.db2.gz SHSUFYLNKYMMPD-BONVTDFDSA-N 0 3 321.308 2.051 20 5 DEBDHN O=C1C[C@H](CNCc2cc([N+](=O)[O-])ccc2Cl)CN1C1CC1 ZINC000846075781 651306561 /nfs/dbraw/zinc/30/65/61/651306561.db2.gz XCASTNDBKBBEBW-SNVBAGLBSA-N 0 3 323.780 2.349 20 5 DEBDHN O=C1C[C@@H](CNCc2cc([N+](=O)[O-])ccc2Cl)CN1C1CC1 ZINC000846075780 651306618 /nfs/dbraw/zinc/30/66/18/651306618.db2.gz XCASTNDBKBBEBW-JTQLQIEISA-N 0 3 323.780 2.349 20 5 DEBDHN CC[C@H](C)c1nc(C)c(CC(=O)OCC(C)[N+](=O)[O-])c(C)n1 ZINC000847713961 651412876 /nfs/dbraw/zinc/41/28/76/651412876.db2.gz GVDFCVQCXLYQDK-VHSXEESVSA-N 0 3 309.366 2.358 20 5 DEBDHN CN(CC1CN(C)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000853824484 652608828 /nfs/dbraw/zinc/60/88/28/652608828.db2.gz HQOUMOQETNHPRT-UHFFFAOYSA-N 0 3 314.183 2.355 20 5 DEBDHN Cc1cc(Cl)c(C(=O)NCCN2CCCC2)cc1[N+](=O)[O-] ZINC000854299712 652673410 /nfs/dbraw/zinc/67/34/10/652673410.db2.gz RBEUFAHYEOBTNU-UHFFFAOYSA-N 0 3 311.769 2.382 20 5 DEBDHN CC[C@](O)(CNCCNc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC001356570306 1152090523 /nfs/dbraw/zinc/09/05/23/1152090523.db2.gz SAHDYWGTVCBSRY-LBPRGKRZSA-N 0 3 321.299 2.300 20 5 DEBDHN COC1CC(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000859075027 685649890 /nfs/dbraw/zinc/64/98/90/685649890.db2.gz KZFLZYKQZXJASZ-UHFFFAOYSA-N 0 3 305.378 2.142 20 5 DEBDHN Cc1ccc([C@@H](C)NC2CCS(=O)(=O)CC2)cc1[N+](=O)[O-] ZINC000036330971 683880394 /nfs/dbraw/zinc/88/03/94/683880394.db2.gz JXTIAAFBZUDHAS-LLVKDONJSA-N 0 3 312.391 2.131 20 5 DEBDHN CC(COC(=O)c1nc(C(F)(F)F)n2c1CCCC2)[N+](=O)[O-] ZINC000860777138 685960219 /nfs/dbraw/zinc/96/02/19/685960219.db2.gz KZORYESIUMLZPX-SSDOTTSWSA-N 0 3 321.255 2.060 20 5 DEBDHN CC([C@H](OC(=O)COCC(F)F)c1ccccc1F)[N+](=O)[O-] ZINC000860855275 685968826 /nfs/dbraw/zinc/96/88/26/685968826.db2.gz WDPBVWYDQIVIJZ-OQPBUACISA-N 0 3 321.251 2.357 20 5 DEBDHN CC[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C[C@H](C)N1 ZINC000862235347 686261814 /nfs/dbraw/zinc/26/18/14/686261814.db2.gz GCFRLDZPDBXMIN-VHSXEESVSA-N 0 3 311.769 2.461 20 5 DEBDHN O=C(N[C@@H]1CCN(C2CC2)C1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000930677123 694216662 /nfs/dbraw/zinc/21/66/62/694216662.db2.gz XJFHZWBSPLMQCF-WQVCFCJDSA-N 0 3 315.373 2.051 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C)C(C)(C)CC2)c1 ZINC000871154882 688737744 /nfs/dbraw/zinc/73/77/44/688737744.db2.gz IZNIRRAMRCLMHS-UHFFFAOYSA-N 0 3 305.378 2.460 20 5 DEBDHN O=[N+]([O-])c1ccc2[nH]c(CN[C@]34CCC[C@H]3OCC4)nc2c1 ZINC000872314684 688980975 /nfs/dbraw/zinc/98/09/75/688980975.db2.gz BOQQNEWAUMVZJL-HIFRSBDPSA-N 0 3 302.334 2.272 20 5 DEBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000874827145 689501669 /nfs/dbraw/zinc/50/16/69/689501669.db2.gz BZVBDQMVVYOPAC-ZIAGYGMSSA-N 0 3 307.325 2.043 20 5 DEBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000874827144 689502001 /nfs/dbraw/zinc/50/20/01/689502001.db2.gz BZVBDQMVVYOPAC-UONOGXRCSA-N 0 3 307.325 2.043 20 5 DEBDHN CN1C[C@@H]2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3Cl)[C@@H]2C1 ZINC000931297545 694359987 /nfs/dbraw/zinc/35/99/87/694359987.db2.gz KLVYWUGWYLNLCK-JOYOIKCWSA-N 0 3 324.768 2.416 20 5 DEBDHN COc1ccc(OCCN[C@H](C)c2ccnn2C)c([N+](=O)[O-])c1 ZINC000879684985 690705606 /nfs/dbraw/zinc/70/56/06/690705606.db2.gz QYAYXORDFRPJHW-LLVKDONJSA-N 0 3 320.349 2.067 20 5 DEBDHN CC(C)(O)[C@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000879963099 690768061 /nfs/dbraw/zinc/76/80/61/690768061.db2.gz FTEYIRWLTDPJOI-ZFWWWQNUSA-N 0 3 308.378 2.111 20 5 DEBDHN CC(C)C[C@@H](C(N)=O)N(C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000880588460 690935280 /nfs/dbraw/zinc/93/52/80/690935280.db2.gz WDOQISYFPIHBOG-HNNXBMFYSA-N 0 3 323.393 2.196 20 5 DEBDHN COc1cc(CNC[C@H]2CC3(CCC3)CO2)c([N+](=O)[O-])cc1O ZINC000886288852 692045718 /nfs/dbraw/zinc/04/57/18/692045718.db2.gz JAPOCGFHFIYJMA-GFCCVEGCSA-N 0 3 322.361 2.358 20 5 DEBDHN COC(=O)C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000932109645 694549810 /nfs/dbraw/zinc/54/98/10/694549810.db2.gz FHEXKDVREHKFFC-CHWSQXEVSA-N 0 3 322.361 2.105 20 5 DEBDHN O=C(OCc1ccc([N+](=O)[O-])cc1)C1CCCN(C2CC2)C1=O ZINC000924067600 693087090 /nfs/dbraw/zinc/08/70/90/693087090.db2.gz WMXNHKCWEXDXSS-AWEZNQCLSA-N 0 3 318.329 2.039 20 5 DEBDHN Nc1cc(N[C@H]2CCN(Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC001347865651 1151102785 /nfs/dbraw/zinc/10/27/85/1151102785.db2.gz GUNRLTXNMLYOCB-ZDUSSCGKSA-N 0 3 313.361 2.258 20 5 DEBDHN O=C(CCC1CCC1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001125380086 776862771 /nfs/dbraw/zinc/86/27/71/776862771.db2.gz LAVDEBGFVWKTKG-UHFFFAOYSA-N 0 3 305.378 2.381 20 5 DEBDHN NCc1cc(-c2ccncc2)nn1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168985055 784985870 /nfs/dbraw/zinc/98/58/70/784985870.db2.gz CLEWVLWCSKCZIJ-WCQYABFASA-N 0 3 301.350 2.022 20 5 DEBDHN COc1ccc(C[C@H](C)N2CCCC[C@H]2CO)c([N+](=O)[O-])c1 ZINC001170329381 786910239 /nfs/dbraw/zinc/91/02/39/786910239.db2.gz PTVXRWUJTMHTGM-JSGCOSHPSA-N 0 3 308.378 2.381 20 5 DEBDHN COc1ccc(C[C@@H](C)N2CC[C@@H](O)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001170353408 786917070 /nfs/dbraw/zinc/91/70/70/786917070.db2.gz XSSDDJYMHOHGAM-YRGRVCCFSA-N 0 3 308.378 2.380 20 5 DEBDHN C[C@H](Nc1ncc(F)c2cc([N+](=O)[O-])ccc12)[C@@H]1CNCCO1 ZINC001170568445 787646704 /nfs/dbraw/zinc/64/67/04/787646704.db2.gz HXVCKMQTVOBRNP-XPTSAGLGSA-N 0 3 320.324 2.071 20 5 DEBDHN C[C@H](Nc1ncc(F)c2cc([N+](=O)[O-])ccc12)[C@H]1CNCCO1 ZINC001170568443 787646752 /nfs/dbraw/zinc/64/67/52/787646752.db2.gz HXVCKMQTVOBRNP-LKFCYVNXSA-N 0 3 320.324 2.071 20 5 DEBDHN CC(C)(C(=O)NCCNCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001132671387 788162185 /nfs/dbraw/zinc/16/21/85/788162185.db2.gz PZUXAEBXNMDNSW-UHFFFAOYSA-N 0 3 305.378 2.237 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)NCc2cnoc2)c1F ZINC001173189759 793623735 /nfs/dbraw/zinc/62/37/35/793623735.db2.gz QSPJSRMZZWRMMN-VIFPVBQESA-N 0 3 309.297 2.451 20 5 DEBDHN O=[N+]([O-])c1ccn(CCN2CCC(Nc3ccccc3)CC2)n1 ZINC001116348735 794952027 /nfs/dbraw/zinc/95/20/27/794952027.db2.gz MWSJIUXSABYWKB-UHFFFAOYSA-N 0 3 315.377 2.368 20 5 DEBDHN O=[N+]([O-])c1cccc(-c2nc([C@@H]3CN4CCC3CC4)no2)c1 ZINC001116610440 794971903 /nfs/dbraw/zinc/97/19/03/794971903.db2.gz WZLHOJUKGISRAP-CYBMUJFWSA-N 0 3 300.318 2.454 20 5 DEBDHN COCC[C@](C)(O)CNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000230247685 796774929 /nfs/dbraw/zinc/77/49/29/796774929.db2.gz WBHASSZBOSGVBW-ZDUSSCGKSA-N 0 3 302.758 2.125 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CCCC[C@@]23CNCCO3)n1 ZINC001155826388 797858164 /nfs/dbraw/zinc/85/81/64/797858164.db2.gz IQPGXSRTSOCNCF-XJKSGUPXSA-N 0 3 320.393 2.320 20 5 DEBDHN CC(C)(C)OC(=O)c1ccc(-n2cnc(CN)c2)cc1[N+](=O)[O-] ZINC001162303985 799055588 /nfs/dbraw/zinc/05/55/88/799055588.db2.gz CVPWGORISJSRGH-UHFFFAOYSA-N 0 3 318.333 2.195 20 5 DEBDHN CC[C@H](C)[C@H](Nc1cc2c(cc1[N+](=O)[O-])CNC2)C(=O)OC ZINC001164135189 799520932 /nfs/dbraw/zinc/52/09/32/799520932.db2.gz MVKGOWJEYYNSBM-XPTSAGLGSA-N 0 3 307.350 2.198 20 5 DEBDHN O=[N+]([O-])c1cc2c(cc1NCc1ccc3nonc3c1)CNC2 ZINC001164343958 799576938 /nfs/dbraw/zinc/57/69/38/799576938.db2.gz DYQHIZMDHBXUHF-UHFFFAOYSA-N 0 3 311.301 2.346 20 5 DEBDHN Cc1cc(=O)oc2c1ccc(OC1CCN(C)CC1)c2[N+](=O)[O-] ZINC001229945118 801340257 /nfs/dbraw/zinc/34/02/57/801340257.db2.gz UNYRSFQNAKNPHJ-UHFFFAOYSA-N 0 3 318.329 2.483 20 5 DEBDHN Cc1ccc(OC(=O)C2CCCN(C3CC3)C2=O)c([N+](=O)[O-])c1 ZINC001343548826 1150752547 /nfs/dbraw/zinc/75/25/47/1150752547.db2.gz CTENDAYPOCNZGK-GFCCVEGCSA-N 0 3 318.329 2.210 20 5 DEBDHN C[C@@H]1CC[N@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C[C@H]1C ZINC001603909868 1070145877 /nfs/dbraw/zinc/14/58/77/1070145877.db2.gz FJEUFWIINARWED-GHMZBOCLSA-N 0 3 316.365 2.253 20 5 DEBDHN C[C@@H]1CC[N@@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C[C@H]1C ZINC001603909868 1070145881 /nfs/dbraw/zinc/14/58/81/1070145881.db2.gz FJEUFWIINARWED-GHMZBOCLSA-N 0 3 316.365 2.253 20 5 DEBDHN Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H](C)N2CCCC[C@H]2C)n1 ZINC001526815974 1070354066 /nfs/dbraw/zinc/35/40/66/1070354066.db2.gz ZXAHSVFDQHIMGS-CHWSQXEVSA-N 0 3 320.393 2.291 20 5 DEBDHN Cc1cc(C(=O)NCCN2CCC(C)(C)C2)cc([N+](=O)[O-])c1 ZINC001463338983 1058958925 /nfs/dbraw/zinc/95/89/25/1058958925.db2.gz SLJXTSDQYGDSNG-UHFFFAOYSA-N 0 3 305.378 2.365 20 5 DEBDHN CCN1C[C@@H](NC(=O)c2cccc(C)c2[N+](=O)[O-])C(C)(C)C1 ZINC001472056407 1060391453 /nfs/dbraw/zinc/39/14/53/1060391453.db2.gz HOFPXUOLTHBLMI-CYBMUJFWSA-N 0 3 305.378 2.363 20 5 DEBDHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)C1(CF)CCC1 ZINC001493700129 1063923480 /nfs/dbraw/zinc/92/34/80/1063923480.db2.gz QPLBDFKODPVUBO-UHFFFAOYSA-N 0 3 323.368 2.283 20 5 DEBDHN O=C(NC/C=C/CNCc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC001568805824 1065127904 /nfs/dbraw/zinc/12/79/04/1065127904.db2.gz YPCLRZQJYZEBEJ-OWOJBTEDSA-N 0 3 303.362 2.157 20 5 DEBDHN C[C@H]([NH2+]Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1(C)CC1 ZINC001575383422 1066286053 /nfs/dbraw/zinc/28/60/53/1066286053.db2.gz ALRJWLPBQNXFMF-VIFPVBQESA-N 0 3 302.338 2.053 20 5 DEBDHN C[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1(C)CC1 ZINC001575383422 1066286061 /nfs/dbraw/zinc/28/60/61/1066286061.db2.gz ALRJWLPBQNXFMF-VIFPVBQESA-N 0 3 302.338 2.053 20 5 DEBDHN Cc1ncncc1C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC001519200985 1069039029 /nfs/dbraw/zinc/03/90/29/1069039029.db2.gz HDRVWLFVSYTRIA-QMTHXVAHSA-N 0 3 319.292 2.487 20 5 DEBDHN Cc1[nH]nc(C(=O)Nc2ccc(CN(C)C)cc2F)c1[N+](=O)[O-] ZINC001557008931 1075052926 /nfs/dbraw/zinc/05/29/26/1075052926.db2.gz XEHWDHKIKOOPIH-UHFFFAOYSA-N 0 3 321.312 2.079 20 5 DEBDHN Cc1ccc(CN2CCC(c3n[nH]c(=O)o3)CC2)cc1[N+](=O)[O-] ZINC001559832871 1075128797 /nfs/dbraw/zinc/12/87/97/1075128797.db2.gz CSNXJLNUCZBFGY-UHFFFAOYSA-N 0 3 318.333 2.371 20 5 DEBDHN O=[N+]([O-])c1cc2c(ncnc2N[C@@H]2CNCCC2(F)F)s1 ZINC001580874592 1076010721 /nfs/dbraw/zinc/01/07/21/1076010721.db2.gz CSSOZSNGJCSCHC-SSDOTTSWSA-N 0 3 315.305 2.009 20 5 DEBDHN C[C@@H]1CC[C@H](C)[N@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001590227767 1076591453 /nfs/dbraw/zinc/59/14/53/1076591453.db2.gz RHASLODNYKZMIJ-MNOVXSKESA-N 0 3 316.365 2.395 20 5 DEBDHN C[C@@H]1CC[C@H](C)[N@@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001590227767 1076591456 /nfs/dbraw/zinc/59/14/56/1076591456.db2.gz RHASLODNYKZMIJ-MNOVXSKESA-N 0 3 316.365 2.395 20 5 DEBDHN C[C@@H]1CC[C@H](C)[N@H+](Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001590227767 1076591459 /nfs/dbraw/zinc/59/14/59/1076591459.db2.gz RHASLODNYKZMIJ-MNOVXSKESA-N 0 3 316.365 2.395 20 5 DEBDHN C[C@@H]1CC[C@H](C)[N@@H+](Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001590227767 1076591462 /nfs/dbraw/zinc/59/14/62/1076591462.db2.gz RHASLODNYKZMIJ-MNOVXSKESA-N 0 3 316.365 2.395 20 5 DEBDHN CN(CCNc1nn(C)cc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC001651600400 1079820773 /nfs/dbraw/zinc/82/07/73/1079820773.db2.gz VXCXJYPDRFELTR-UHFFFAOYSA-N 0 3 307.329 2.011 20 5 DEBDHN CCN1C[C@@H](NC(=O)c2ccc(NC)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC001652599438 1079886453 /nfs/dbraw/zinc/88/64/53/1079886453.db2.gz JCEYOBFYKYLSHA-CQSZACIVSA-N 0 3 320.393 2.097 20 5 DEBDHN O=C(CCC(F)(F)F)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001125227770 1080601459 /nfs/dbraw/zinc/60/14/59/1080601459.db2.gz YVRXPWVMOQDUSC-UHFFFAOYSA-N 0 3 319.283 2.143 20 5 DEBDHN Cc1cc(Cc2noc([C@@H]3NC[C@@H]4C[C@@H]43)n2)ccc1[N+](=O)[O-] ZINC001329607183 1148936236 /nfs/dbraw/zinc/93/62/36/1148936236.db2.gz GILCKUBYQIHBDW-COPLHBTASA-N 0 3 300.318 2.157 20 5 DEBDHN O=C(CC1CC1)NC/C=C/CNCc1ccc([N+](=O)[O-])cc1 ZINC001320938704 1140998903 /nfs/dbraw/zinc/99/89/03/1140998903.db2.gz HAAYXKDPOJAINN-OWOJBTEDSA-N 0 3 303.362 2.157 20 5 DEBDHN Cc1cncc([N+](=O)[O-])c1NCCN(C)Cc1ccc(F)cc1 ZINC001322729082 1141701164 /nfs/dbraw/zinc/70/11/64/1141701164.db2.gz JPBUKFWBVJOODW-UHFFFAOYSA-N 0 3 318.352 2.403 20 5 DEBDHN C[C@H](C(=O)NC[C@@H]1CCCCN1C)c1cccc([N+](=O)[O-])c1 ZINC001337478237 1142759024 /nfs/dbraw/zinc/75/90/24/1142759024.db2.gz CXARBGYJYMIGLI-WFASDCNBSA-N 0 3 305.378 2.299 20 5 DEBDHN COC(=O)[C@H]1CCCN([C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254550719 1143244535 /nfs/dbraw/zinc/24/45/35/1143244535.db2.gz PLQBRBSTLYLSCP-JSGCOSHPSA-N 0 3 306.362 2.411 20 5 DEBDHN COC(=O)[C@H]1CN([C@@H](C)Cc2ccccc2[N+](=O)[O-])CC12CC2 ZINC001254571361 1143252319 /nfs/dbraw/zinc/25/23/19/1143252319.db2.gz SYSIHYPRNBETMR-GXTWGEPZSA-N 0 3 318.373 2.411 20 5 DEBDHN Cc1ccc(CN)nc1N(C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254569526 1143256152 /nfs/dbraw/zinc/25/61/52/1143256152.db2.gz ZBVZYQMHSKPDDB-MRXNPFEDSA-N 0 3 312.373 2.361 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](NCc1cn(CC3CC3)cn1)C2 ZINC001254587658 1143270164 /nfs/dbraw/zinc/27/01/64/1143270164.db2.gz SHSVBVHXGMPENY-OAHLLOKOSA-N 0 3 312.373 2.458 20 5 DEBDHN O=[N+]([O-])c1ccc(-c2nc([C@@H]3CN4CCC3CC4)no2)cc1 ZINC001342543074 1143823025 /nfs/dbraw/zinc/82/30/25/1143823025.db2.gz ABLDEHICIXKBDV-CYBMUJFWSA-N 0 3 300.318 2.454 20 5 DEBDHN CCc1nncn1CCN[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000151530654 282118893 /nfs/dbraw/zinc/11/88/93/282118893.db2.gz PFFMWANCCSSSQD-AWEZNQCLSA-N 0 3 303.366 2.490 20 5 DEBDHN C[C@H](Nc1nc2sccn2c1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000272749501 210153916 /nfs/dbraw/zinc/15/39/16/210153916.db2.gz DVRQPFKQQPVUMX-VIFPVBQESA-N 0 3 307.379 2.366 20 5 DEBDHN CCN1CCN(C[C@H](C)CNc2ccc([N+](=O)[O-])s2)CC1 ZINC000615491027 362619830 /nfs/dbraw/zinc/61/98/30/362619830.db2.gz IRQHTGACRZQDEG-GFCCVEGCSA-N 0 3 312.439 2.342 20 5 DEBDHN CCC1(CC)[C@H](OC)C[C@@H]1N(C)CCn1cc([N+](=O)[O-])cn1 ZINC000140657829 186027439 /nfs/dbraw/zinc/02/74/39/186027439.db2.gz IREYWXLNUUYGCD-UONOGXRCSA-N 0 3 310.398 2.317 20 5 DEBDHN CC[C@]1(NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCOC1 ZINC000616865389 362951863 /nfs/dbraw/zinc/95/18/63/362951863.db2.gz PMDYRGCCDSZIOE-HNNXBMFYSA-N 0 3 307.350 2.000 20 5 DEBDHN CCOc1ccc([C@H](C)NCCNC(=O)C(C)C)cc1[N+](=O)[O-] ZINC000152591893 186088149 /nfs/dbraw/zinc/08/81/49/186088149.db2.gz UPUKIBHUIVDHDU-LBPRGKRZSA-N 0 3 323.393 2.416 20 5 DEBDHN O=[N+]([O-])c1ccc(CN2CCC(Cn3ccnn3)CC2)cc1 ZINC000155678197 186102224 /nfs/dbraw/zinc/10/22/24/186102224.db2.gz AJQZLNPDNRZNBC-UHFFFAOYSA-N 0 3 301.350 2.099 20 5 DEBDHN O=[N+]([O-])c1cc(F)ccc1CN[C@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000595505234 358467765 /nfs/dbraw/zinc/46/77/65/358467765.db2.gz PCFOJIZCOAZIOK-CVEARBPZSA-N 0 3 324.352 2.144 20 5 DEBDHN C[C@H](CN1CCCCC1)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173081537 198184164 /nfs/dbraw/zinc/18/41/64/198184164.db2.gz CUWGDUMHZMYIPJ-CYBMUJFWSA-N 0 3 305.378 2.128 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NCCN2CCC[C@H](C)C2)c1 ZINC000173101077 198184536 /nfs/dbraw/zinc/18/45/36/198184536.db2.gz MAUUJQAHIMWZMR-ZDUSSCGKSA-N 0 3 305.378 2.365 20 5 DEBDHN CCN(CCOc1ccc(OC)cc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000173589494 198230980 /nfs/dbraw/zinc/23/09/80/198230980.db2.gz BUJBFIZTWZIQBU-CQSZACIVSA-N 0 3 324.377 2.483 20 5 DEBDHN C[C@]1(CO)CCC[C@H]1NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000331983966 234351398 /nfs/dbraw/zinc/35/13/98/234351398.db2.gz TWJKEGIDJCHLDB-GDBMZVCRSA-N 0 3 322.361 2.102 20 5 DEBDHN Cc1c(NC(=O)N2CC[C@H](N3CC=CC3)C2)cccc1[N+](=O)[O-] ZINC000174474687 198338581 /nfs/dbraw/zinc/33/85/81/198338581.db2.gz ZPNXWHQTRRETTG-ZDUSSCGKSA-N 0 3 316.361 2.381 20 5 DEBDHN O=C(c1csc([N+](=O)[O-])c1)N1CCN(c2ccncc2)CC1 ZINC000044952081 354245504 /nfs/dbraw/zinc/24/55/04/354245504.db2.gz TVINGXPFIBRNLO-UHFFFAOYSA-N 0 3 318.358 2.014 20 5 DEBDHN CC(C)CN(C(=O)c1ccc([N+](=O)[O-])o1)C1CCN(C)CC1 ZINC000053231841 354427145 /nfs/dbraw/zinc/42/71/45/354427145.db2.gz UXRGUNOVRKNNGM-UHFFFAOYSA-N 0 3 309.366 2.380 20 5 DEBDHN C[C@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)N(C)C1CC1 ZINC000057706883 354577683 /nfs/dbraw/zinc/57/76/83/354577683.db2.gz BXYHNZDUAZSEBJ-SNVBAGLBSA-N 0 3 316.361 2.289 20 5 DEBDHN CN(C)[C@@H](CNc1c([N+](=O)[O-])ncn1C)c1ccc(F)cc1 ZINC000059394252 354605408 /nfs/dbraw/zinc/60/54/08/354605408.db2.gz VREJCIPZNKVYGX-LBPRGKRZSA-N 0 3 307.329 2.182 20 5 DEBDHN Cc1cc(C(=O)N2CCCN(C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000068781981 354832415 /nfs/dbraw/zinc/83/24/15/354832415.db2.gz GQCWZNMOGPKHOW-UHFFFAOYSA-N 0 3 305.378 2.460 20 5 DEBDHN CCC1(O)CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000072724902 354917688 /nfs/dbraw/zinc/91/76/88/354917688.db2.gz XPYHTOKJICQKGP-UHFFFAOYSA-N 0 3 321.377 2.160 20 5 DEBDHN O=[N+]([O-])c1c(NC2CCN(C3CC3)CC2)nc2sccn21 ZINC000078433140 355260920 /nfs/dbraw/zinc/26/09/20/355260920.db2.gz NMVGVAVLVCFNDG-UHFFFAOYSA-N 0 3 307.379 2.343 20 5 DEBDHN CC[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1cnn(C)c1 ZINC000089580927 355536833 /nfs/dbraw/zinc/53/68/33/355536833.db2.gz CLLFWTWBAMEPCW-HNNXBMFYSA-N 0 3 304.350 2.448 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC2(CNC(=O)C2)CC1 ZINC000273389633 356355326 /nfs/dbraw/zinc/35/53/26/356355326.db2.gz DHMMIDKTCRNUQL-UHFFFAOYSA-N 0 3 303.362 2.005 20 5 DEBDHN C[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1cccc(-n2cnnn2)c1 ZINC000324182380 356456772 /nfs/dbraw/zinc/45/67/72/356456772.db2.gz IDBIRBKTXMKHER-GFCCVEGCSA-N 0 3 324.344 2.421 20 5 DEBDHN C[C@@H](NCCc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccco1 ZINC000320267648 356444167 /nfs/dbraw/zinc/44/41/67/356444167.db2.gz SPROCJPKLGLEOK-GFCCVEGCSA-N 0 3 317.345 2.025 20 5 DEBDHN C[C@H](N[C@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@H]1CN(C)CCO1 ZINC000618572002 363531319 /nfs/dbraw/zinc/53/13/19/363531319.db2.gz FETJJQMBHUQYFB-AFAVFJNCSA-N 0 3 319.405 2.281 20 5 DEBDHN CC(C)COC[C@H](O)CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581677195 357229330 /nfs/dbraw/zinc/22/93/30/357229330.db2.gz TWPUTVQOZRMKCO-IUODEOHRSA-N 0 3 308.378 2.205 20 5 DEBDHN O=[N+]([O-])c1cccc(F)c1N1CCN(c2ccncc2)CC1 ZINC000587029837 357380103 /nfs/dbraw/zinc/38/01/03/357380103.db2.gz REPKTKUPIHVNBE-UHFFFAOYSA-N 0 3 302.309 2.456 20 5 DEBDHN CO[C@](C)(CNCc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000589737428 357493337 /nfs/dbraw/zinc/49/33/37/357493337.db2.gz ADJLTQHUDITLNZ-MRXNPFEDSA-N 0 3 322.361 2.271 20 5 DEBDHN CCCN(C(=O)CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000592829753 357952654 /nfs/dbraw/zinc/95/26/54/357952654.db2.gz XVWLRWONRWVXCK-MRXNPFEDSA-N 0 3 319.405 2.470 20 5 DEBDHN Cc1cncc(CCN(C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000593027947 357990756 /nfs/dbraw/zinc/99/07/56/357990756.db2.gz GPRFNBKTCXQBPE-UHFFFAOYSA-N 0 3 300.362 2.410 20 5 DEBDHN COc1cccc(C(=O)N(C)CCN2CCCCC2)c1[N+](=O)[O-] ZINC000593881780 358163942 /nfs/dbraw/zinc/16/39/42/358163942.db2.gz BEWYUFKFCRZIKU-UHFFFAOYSA-N 0 3 321.377 2.161 20 5 DEBDHN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594197376 358222034 /nfs/dbraw/zinc/22/20/34/358222034.db2.gz NHYGGXXIXCUFMG-JKSUJKDBSA-N 0 3 317.389 2.270 20 5 DEBDHN CCC(C)(C)N1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000594591043 358299830 /nfs/dbraw/zinc/29/98/30/358299830.db2.gz JQZGTWZJBFQKRX-UHFFFAOYSA-N 0 3 320.393 2.004 20 5 DEBDHN CC(C)(C)N1C[C@@H](CNCc2csc([N+](=O)[O-])c2)CC1=O ZINC000594992484 358374028 /nfs/dbraw/zinc/37/40/28/358374028.db2.gz FODNHMMFMHPALY-SNVBAGLBSA-N 0 3 311.407 2.393 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H](C)CC[S@@](C)=O ZINC000595029577 358380510 /nfs/dbraw/zinc/38/05/10/358380510.db2.gz WUTCCDDZLNGKKO-NNUHMIRASA-N 0 3 314.407 2.411 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCc1cncn1C ZINC000595034118 358380939 /nfs/dbraw/zinc/38/09/39/358380939.db2.gz UXPLCJOKAMUXAP-NSHDSACASA-N 0 3 304.350 2.230 20 5 DEBDHN CO[C@@]1(C)C[C@H]1N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000595106120 358390880 /nfs/dbraw/zinc/39/08/80/358390880.db2.gz ITMJWGUEZKUVJS-YVLXSGLVSA-N 0 3 307.350 2.079 20 5 DEBDHN CN1CC[C@@]2(C1)CCCN(C(=O)c1ccccc1[N+](=O)[O-])C2 ZINC000597717137 358987673 /nfs/dbraw/zinc/98/76/73/358987673.db2.gz ZTATZVSMUURCKU-MRXNPFEDSA-N 0 3 303.362 2.153 20 5 DEBDHN CCCN1CC[C@H](NC(=O)c2ccc(CC)c([N+](=O)[O-])c2)C1 ZINC000598341963 359169416 /nfs/dbraw/zinc/16/94/16/359169416.db2.gz JPAZUMBRVLJDQO-AWEZNQCLSA-N 0 3 305.378 2.371 20 5 DEBDHN CCCN1CC[C@H](NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000598342819 359170208 /nfs/dbraw/zinc/17/02/08/359170208.db2.gz QJAVBMOQKYAGAR-OCCSQVGLSA-N 0 3 305.378 2.299 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCN(C)CC(F)F ZINC000599021927 359385487 /nfs/dbraw/zinc/38/54/87/359385487.db2.gz GYGGWGFINSKNEW-UHFFFAOYSA-N 0 3 317.336 2.280 20 5 DEBDHN COc1cc(C(=O)NC2(CN(C)C)CCC2)cc([N+](=O)[O-])c1C ZINC000281001871 216014365 /nfs/dbraw/zinc/01/43/65/216014365.db2.gz DIPNNPDGXVLESU-UHFFFAOYSA-N 0 3 321.377 2.126 20 5 DEBDHN O=[N+]([O-])c1ccc(CO)c(-c2ccc([C@H]3CNCCO3)cc2)c1 ZINC000600782477 359827630 /nfs/dbraw/zinc/82/76/30/359827630.db2.gz MCTNEZNNHSFMTB-QGZVFWFLSA-N 0 3 314.341 2.415 20 5 DEBDHN C[C@H](CN1CCCCC1)NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000600996083 359887644 /nfs/dbraw/zinc/88/76/44/359887644.db2.gz RTMJAAFHPTWNKH-LLVKDONJSA-N 0 3 309.341 2.338 20 5 DEBDHN CC(C)N1CC[C@@H](N(C)C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601621696 360089836 /nfs/dbraw/zinc/08/98/36/360089836.db2.gz ODJDFXGXUYVWEA-LLVKDONJSA-N 0 3 309.341 2.289 20 5 DEBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602568765 360437396 /nfs/dbraw/zinc/43/73/96/360437396.db2.gz MASXPBCHZRFYLO-YGRLFVJLSA-N 0 3 316.361 2.308 20 5 DEBDHN O=[N+]([O-])c1ccc2oc(CNC3CCN(C4CC4)CC3)nc2c1 ZINC000602507105 360408638 /nfs/dbraw/zinc/40/86/38/360408638.db2.gz OHPLKTBSUUIOCN-UHFFFAOYSA-N 0 3 316.361 2.452 20 5 DEBDHN Cc1nccn1CCCNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602519455 360414549 /nfs/dbraw/zinc/41/45/49/360414549.db2.gz YLZNHWVYZFXSDS-UHFFFAOYSA-N 0 3 315.333 2.421 20 5 DEBDHN O=[N+]([O-])c1ccc(CCNCc2cnc3n2CCCC3)cc1 ZINC000602649313 360476174 /nfs/dbraw/zinc/47/61/74/360476174.db2.gz BAXCJQVCVWKFJA-UHFFFAOYSA-N 0 3 300.362 2.460 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000602900970 360616946 /nfs/dbraw/zinc/61/69/46/360616946.db2.gz PVCCEMNJNQBXCJ-HUUCEWRRSA-N 0 3 322.409 2.381 20 5 DEBDHN C[C@H]1C[C@@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000611278717 361569593 /nfs/dbraw/zinc/56/95/93/361569593.db2.gz PZHYVHBQIQCNDD-JQWIXIFHSA-N 0 3 308.334 2.023 20 5 DEBDHN CC[C@@H]1CN(C)CCCN1C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000619567156 363828123 /nfs/dbraw/zinc/82/81/23/363828123.db2.gz WUWMLMAEHMGBKN-CYBMUJFWSA-N 0 3 321.377 2.160 20 5 DEBDHN Cn1ccnc1[C@H]1OCCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000275532418 212397338 /nfs/dbraw/zinc/39/73/38/212397338.db2.gz LZDCXBOBCHPILB-GJZGRUSLSA-N 0 3 316.361 2.338 20 5 DEBDHN CC(C)N1CC[C@H](N[C@@H](C)Cc2ccccc2[N+](=O)[O-])C1=O ZINC000449153330 240133290 /nfs/dbraw/zinc/13/32/90/240133290.db2.gz CZDWETVHYWVXRL-JSGCOSHPSA-N 0 3 305.378 2.125 20 5 DEBDHN CC(C)N1C[C@@H](N[C@H](C)Cc2ccccc2[N+](=O)[O-])CC1=O ZINC000449155560 240134476 /nfs/dbraw/zinc/13/44/76/240134476.db2.gz LZSNLUPQOXJECY-OCCSQVGLSA-N 0 3 305.378 2.125 20 5 DEBDHN CCN1CCCC[C@@H]1CNc1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000264760592 204137101 /nfs/dbraw/zinc/13/71/01/204137101.db2.gz NOTKDIBWBTVNBK-CYBMUJFWSA-N 0 3 320.393 2.241 20 5 DEBDHN O=[N+]([O-])c1ccc(N2CCN(CC3CCOCC3)CC2)c(F)c1 ZINC000265551329 204695469 /nfs/dbraw/zinc/69/54/69/204695469.db2.gz YVLHIOJKBIHGEQ-UHFFFAOYSA-N 0 3 323.368 2.283 20 5 DEBDHN CCCN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC(C)(C)O ZINC000266039385 205050136 /nfs/dbraw/zinc/05/01/36/205050136.db2.gz VJJOIPGXBJVCJQ-UHFFFAOYSA-N 0 3 324.377 2.444 20 5 DEBDHN O=[N+]([O-])c1cccc(CNC[C@@H]2CCC3(CCOCC3)[C@H]2O)c1 ZINC000282935396 217337888 /nfs/dbraw/zinc/33/78/88/217337888.db2.gz WWWVXQAWPZSRSP-HOCLYGCPSA-N 0 3 320.389 2.252 20 5 DEBDHN O=[N+]([O-])c1ccc(CCN(CCO)Cc2cccnc2)cc1 ZINC000267929434 206343912 /nfs/dbraw/zinc/34/39/12/206343912.db2.gz VJLKFFRULMASHR-UHFFFAOYSA-N 0 3 301.346 2.027 20 5 DEBDHN CN(C[C@H]1CCCN1C)C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000493335379 249279963 /nfs/dbraw/zinc/27/99/63/249279963.db2.gz LEILRMRKTASKLL-IZPAUZPXSA-N 0 3 321.352 2.300 20 5 DEBDHN C[C@H](N[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294544987 224081410 /nfs/dbraw/zinc/08/14/10/224081410.db2.gz ANDJYNVGWRAPNQ-JQWIXIFHSA-N 0 3 320.393 2.227 20 5 DEBDHN Cc1ccc(CNc2ccn(CCN(C)C)n2)cc1[N+](=O)[O-] ZINC000119745107 195029098 /nfs/dbraw/zinc/02/90/98/195029098.db2.gz GVOZBSSILSPURX-UHFFFAOYSA-N 0 3 303.366 2.273 20 5 DEBDHN CO[C@@]1(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCOC1 ZINC000447594740 533034479 /nfs/dbraw/zinc/03/44/79/533034479.db2.gz IASCVRBERSHQIR-JKSUJKDBSA-N 0 3 306.362 2.367 20 5 DEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCc1ccccc1 ZINC000543121969 285270477 /nfs/dbraw/zinc/27/04/77/285270477.db2.gz SQWXJLNRFYLDNJ-CQSZACIVSA-N 0 3 302.330 2.124 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(C)CC[C@@H]1C ZINC000340254314 131280454 /nfs/dbraw/zinc/28/04/54/131280454.db2.gz PLGCEOTYPMHJID-LBPRGKRZSA-N 0 3 306.366 2.461 20 5 DEBDHN Cc1cc(NC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000372960507 133371672 /nfs/dbraw/zinc/37/16/72/133371672.db2.gz WEIIVVSSXCVHCF-SWLSCSKDSA-N 0 3 318.377 2.461 20 5 DEBDHN Cc1c(CN2CCC3(CCN(C)C3=O)CC2)cccc1[N+](=O)[O-] ZINC000373173406 133380524 /nfs/dbraw/zinc/38/05/24/133380524.db2.gz OFMFESKKKATBQU-UHFFFAOYSA-N 0 3 317.389 2.348 20 5 DEBDHN O=[N+]([O-])c1cc2c(ncnc2N[C@H]2CCN(C3CC3)C2)s1 ZINC000313861729 145356118 /nfs/dbraw/zinc/35/61/18/145356118.db2.gz MIDLFTOMFFKKLK-QMMMGPOBSA-N 0 3 305.363 2.248 20 5 DEBDHN Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000336696248 145396910 /nfs/dbraw/zinc/39/69/10/145396910.db2.gz ATEPIKOTEXBUBV-AWEZNQCLSA-N 0 3 315.377 2.262 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](C)[C@H]1CCCOC1 ZINC000348148600 146224510 /nfs/dbraw/zinc/22/45/10/146224510.db2.gz SRFYJSQSCWBVCK-STQMWFEESA-N 0 3 321.377 2.246 20 5 DEBDHN CC(C)N1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000358418429 147130511 /nfs/dbraw/zinc/13/05/11/147130511.db2.gz GVUGFAIXLZEGMF-UHFFFAOYSA-N 0 3 323.368 2.219 20 5 DEBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCCN1C1CC1 ZINC000359129958 147268023 /nfs/dbraw/zinc/26/80/23/147268023.db2.gz MJMUWBLFPDJJDL-MRXNPFEDSA-N 0 3 317.389 2.223 20 5 DEBDHN Cc1noc(CCCn2ccc3ccc([N+](=O)[O-])cc3c2=O)n1 ZINC000565716601 292177400 /nfs/dbraw/zinc/17/74/00/292177400.db2.gz VDIOQKNHYATKHK-UHFFFAOYSA-N 0 3 314.301 2.234 20 5 DEBDHN C[C@H](N[C@@H]1CCO[C@@H]1C1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000375435468 148372388 /nfs/dbraw/zinc/37/23/88/148372388.db2.gz FFZALNUNUDUFEQ-COLVAYQJSA-N 0 3 319.361 2.079 20 5 DEBDHN Cc1ccc([C@@H](C)N[C@H](C)CCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000127249465 401725746 /nfs/dbraw/zinc/72/57/46/401725746.db2.gz MPEKKLWRDCVTPD-VXGBXAGGSA-N 0 3 314.407 2.377 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](C)CCS(C)(=O)=O ZINC000127286070 401727452 /nfs/dbraw/zinc/72/74/52/401727452.db2.gz PZUJCWCQTNCPCZ-NEPJUHHUSA-N 0 3 314.407 2.377 20 5 DEBDHN CCCCN(C)CCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000112310950 401738633 /nfs/dbraw/zinc/73/86/33/401738633.db2.gz ANHZUBAZKQSDSV-CMDGGOBGSA-N 0 3 305.378 2.456 20 5 DEBDHN C[C@@H]1C[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000127560036 401740019 /nfs/dbraw/zinc/74/00/19/401740019.db2.gz OSOKQAYVSWZHOW-TZMCWYRMSA-N 0 3 317.389 2.269 20 5 DEBDHN CCN1CCCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000110815601 401694420 /nfs/dbraw/zinc/69/44/20/401694420.db2.gz SLXKQTACBWDBLC-FNORWQNLSA-N 0 3 321.352 2.301 20 5 DEBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000118973686 401916006 /nfs/dbraw/zinc/91/60/06/401916006.db2.gz HPICAHDBVDQOIG-ZBFHGGJFSA-N 0 3 317.389 2.080 20 5 DEBDHN CC[C@@H](NCCCS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000038047337 401921859 /nfs/dbraw/zinc/92/18/59/401921859.db2.gz ORNQCDGGHDBCPN-CYBMUJFWSA-N 0 3 300.380 2.070 20 5 DEBDHN CCN1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000038108361 401922405 /nfs/dbraw/zinc/92/24/05/401922405.db2.gz YJIRXJZVIMEESF-UHFFFAOYSA-N 0 3 311.769 2.462 20 5 DEBDHN O=[N+]([O-])c1ccc(OCCN2CCS[C@@H]3COCC[C@@H]32)cc1 ZINC000135565029 401945541 /nfs/dbraw/zinc/94/55/41/401945541.db2.gz NQNMTQWGENPDJJ-LSDHHAIUSA-N 0 3 324.402 2.180 20 5 DEBDHN Cn1cc(CN[C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000151146089 402019633 /nfs/dbraw/zinc/01/96/33/402019633.db2.gz LNUIOGIKQXYLLX-OAHLLOKOSA-N 0 3 300.362 2.439 20 5 DEBDHN COc1ccc(OCCN2[C@@H](CO)CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000122351260 402074661 /nfs/dbraw/zinc/07/46/61/402074661.db2.gz GZHGLGVAARIOQI-QWHCGFSZSA-N 0 3 324.377 2.218 20 5 DEBDHN O=C(NCCN1CCCCC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000152715864 402105008 /nfs/dbraw/zinc/10/50/08/402105008.db2.gz LKJRKZLXIOBESA-UHFFFAOYSA-N 0 3 311.769 2.464 20 5 DEBDHN CCN1CCC(N(C)C(=O)c2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC000123177391 402114296 /nfs/dbraw/zinc/11/42/96/402114296.db2.gz SNRXXQFFBMCJKT-UHFFFAOYSA-N 0 3 305.378 2.460 20 5 DEBDHN CN(C)[C@H]1CCCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000068342386 402194410 /nfs/dbraw/zinc/19/44/10/402194410.db2.gz VAKBXCSUFVWVAF-ZDUSSCGKSA-N 0 3 323.418 2.240 20 5 DEBDHN Cc1nc2n(n1)C[C@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000160415669 402344574 /nfs/dbraw/zinc/34/45/74/402344574.db2.gz GCMQWLNWZPOPKW-SMDDNHRTSA-N 0 3 315.377 2.469 20 5 DEBDHN C[C@H](C(=O)N1CCC[C@H](N(C)C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185171526 402330814 /nfs/dbraw/zinc/33/08/14/402330814.db2.gz BAPIUQCCNGFAQV-AAEUAGOBSA-N 0 3 323.368 2.390 20 5 DEBDHN CN1CCC(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000186021956 402397068 /nfs/dbraw/zinc/39/70/68/402397068.db2.gz PNCMFVHOJUHLBP-UHFFFAOYSA-N 0 3 311.769 2.206 20 5 DEBDHN CCO[C@H]1C[C@](CO)(NCc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000186584762 402444376 /nfs/dbraw/zinc/44/43/76/402444376.db2.gz LJVSCPJTKVDKJX-GOEBONIOSA-N 0 3 308.378 2.251 20 5 DEBDHN CO[C@@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000170821099 402529264 /nfs/dbraw/zinc/52/92/64/402529264.db2.gz SBNSEZJPOMZVLR-CQSZACIVSA-N 0 3 307.350 2.034 20 5 DEBDHN CN(C)CCSCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000172061607 402638349 /nfs/dbraw/zinc/63/83/49/402638349.db2.gz KIDHNECNBUNUGB-UHFFFAOYSA-N 0 3 308.363 2.440 20 5 DEBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCCOC[C@H]1CCCO1 ZINC000566474676 292245348 /nfs/dbraw/zinc/24/53/48/292245348.db2.gz IFYWBIHFOIGZDF-IUODEOHRSA-N 0 3 306.362 2.367 20 5 DEBDHN CCN1CCC[C@H]1CNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000255385567 402686073 /nfs/dbraw/zinc/68/60/73/402686073.db2.gz ORCAOJVYWMHQJZ-CMUBDUJZSA-N 0 3 303.362 2.209 20 5 DEBDHN C[C@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000182391582 402686130 /nfs/dbraw/zinc/68/61/30/402686130.db2.gz RVSBZTJAVDAMBC-GXTWGEPZSA-N 0 3 317.345 2.080 20 5 DEBDHN C[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000193896185 402777516 /nfs/dbraw/zinc/77/75/16/402777516.db2.gz RNUZAQTZTRCGFE-WBMJQRKESA-N 0 3 313.357 2.342 20 5 DEBDHN CCN(CCNC(=O)CSc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000263689267 402791873 /nfs/dbraw/zinc/79/18/73/402791873.db2.gz GRTVMBABFAHWFP-UHFFFAOYSA-N 0 3 323.418 2.287 20 5 DEBDHN NC(=O)c1ccc(CN2CCC[C@H]2C2CCC2)c([N+](=O)[O-])c1 ZINC000264026115 402832003 /nfs/dbraw/zinc/83/20/03/402832003.db2.gz YITQFQFLFBWAIB-AWEZNQCLSA-N 0 3 303.362 2.458 20 5 DEBDHN CN1CC[C@@H]2CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)[C@@H]2C1 ZINC000278559138 402867831 /nfs/dbraw/zinc/86/78/31/402867831.db2.gz WKZJQDILQGWFAA-QMTHXVAHSA-N 0 3 301.350 2.002 20 5 DEBDHN Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CCCN1Cc1ccccc1 ZINC000265168489 402897953 /nfs/dbraw/zinc/89/79/53/402897953.db2.gz YDWDWPRECQPZGF-AWEZNQCLSA-N 0 3 315.377 2.405 20 5 DEBDHN CCOc1ccc([C@@H](C)NCCCOCCO)cc1[N+](=O)[O-] ZINC000272491648 402944145 /nfs/dbraw/zinc/94/41/45/402944145.db2.gz CHMRTJPLHMKCSB-GFCCVEGCSA-N 0 3 312.366 2.043 20 5 DEBDHN CC(C)Oc1nc(N(C)[C@@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000566571598 292253342 /nfs/dbraw/zinc/25/33/42/292253342.db2.gz GGXXRVNBEGCGLZ-GFCCVEGCSA-N 0 3 308.382 2.307 20 5 DEBDHN CC(C)N1CCC(N(C)C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000272379957 402929984 /nfs/dbraw/zinc/92/99/84/402929984.db2.gz FLYRPNLEQAYFNP-UHFFFAOYSA-N 0 3 320.393 2.122 20 5 DEBDHN O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCN2CCC[C@@H]2C1 ZINC000273342351 402996346 /nfs/dbraw/zinc/99/63/46/402996346.db2.gz ATQHMYJSUWRFRY-LLVKDONJSA-N 0 3 308.313 2.046 20 5 DEBDHN CN1CC=C(CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000273500996 403010094 /nfs/dbraw/zinc/01/00/94/403010094.db2.gz VCYJIPKKTQZGNP-UHFFFAOYSA-N 0 3 308.313 2.117 20 5 DEBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273515326 403011223 /nfs/dbraw/zinc/01/12/23/403011223.db2.gz XQEFJQAWQUTLRM-YMTOWFKASA-N 0 3 322.340 2.338 20 5 DEBDHN COc1ccccc1[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000267098169 403015382 /nfs/dbraw/zinc/01/53/82/403015382.db2.gz SQISHMAKPWZDSV-CYBMUJFWSA-N 0 3 316.361 2.289 20 5 DEBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000274203137 403035035 /nfs/dbraw/zinc/03/50/35/403035035.db2.gz UOGQWGPQQIXZLN-IUODEOHRSA-N 0 3 313.361 2.317 20 5 DEBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000268243957 403065818 /nfs/dbraw/zinc/06/58/18/403065818.db2.gz VNRDMKFWBOACJM-LKFCYVNXSA-N 0 3 323.780 2.461 20 5 DEBDHN CCc1ccc(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000268280129 403070093 /nfs/dbraw/zinc/07/00/93/403070093.db2.gz XAOQUWGBLSSSIZ-IAQYHMDHSA-N 0 3 317.389 2.370 20 5 DEBDHN CCNC(=O)[C@@H](C)N[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000268732224 403110957 /nfs/dbraw/zinc/11/09/57/403110957.db2.gz OMYBVWBDIZXTSD-BXUZGUMPSA-N 0 3 305.378 2.030 20 5 DEBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N(C)C ZINC000269522001 403146025 /nfs/dbraw/zinc/14/60/25/403146025.db2.gz XRUBOURBAPMJEV-MRVPVSSYSA-N 0 3 319.283 2.294 20 5 DEBDHN O=C(NC[C@H]1CCCCN1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000277522847 403226715 /nfs/dbraw/zinc/22/67/15/403226715.db2.gz LXHZUYYLGULSSD-OAHLLOKOSA-N 0 3 303.362 2.342 20 5 DEBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000285646689 403347886 /nfs/dbraw/zinc/34/78/86/403347886.db2.gz DNJVKOCZPCLTOG-AAEUAGOBSA-N 0 3 321.352 2.433 20 5 DEBDHN Cc1c(CNC(=O)CN2[C@H](C)CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000331151254 403340041 /nfs/dbraw/zinc/34/00/41/403340041.db2.gz XDXIVPOZQYNMOH-TXEJJXNPSA-N 0 3 305.378 2.392 20 5 DEBDHN C[C@@H](NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(=O)[nH]n1 ZINC000285917665 403410217 /nfs/dbraw/zinc/41/02/17/403410217.db2.gz CFJVBMNHHZAWBM-SECBINFHSA-N 0 3 322.752 2.225 20 5 DEBDHN CCOc1ccc([C@@H](C)NC[C@H]2CC[C@@H](CO)O2)cc1[N+](=O)[O-] ZINC000293663544 403531533 /nfs/dbraw/zinc/53/15/33/403531533.db2.gz IWCPTBJCCHPMJH-BNOWGMLFSA-N 0 3 324.377 2.184 20 5 DEBDHN Cc1c(CC(=O)N[C@@H]2CCCN(C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000343420329 403581371 /nfs/dbraw/zinc/58/13/71/403581371.db2.gz AJKUEPAOCGRXRO-GXTWGEPZSA-N 0 3 305.378 2.045 20 5 DEBDHN CCCN1CCC[C@H]1CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000343560523 403638316 /nfs/dbraw/zinc/63/83/16/403638316.db2.gz DOYXNJKUOIIDPK-LBPRGKRZSA-N 0 3 309.341 2.338 20 5 DEBDHN C[C@@H]1CN(C)CC[C@H]1N(C)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000287815964 403672505 /nfs/dbraw/zinc/67/25/05/403672505.db2.gz KOESBBOHRLFSRP-MWLCHTKSSA-N 0 3 321.406 2.376 20 5 DEBDHN Cc1c(C(=O)N2CC[C@@]3(C2)CCCN(C)C3)cccc1[N+](=O)[O-] ZINC000294218165 403675109 /nfs/dbraw/zinc/67/51/09/403675109.db2.gz QXJRCEOWEQXEKL-KRWDZBQOSA-N 0 3 317.389 2.461 20 5 DEBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)N(C)Cc1ccccc1 ZINC000347833429 403898521 /nfs/dbraw/zinc/89/85/21/403898521.db2.gz PLNDZPXWIIQIIH-GFCCVEGCSA-N 0 3 316.361 2.173 20 5 DEBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)N(C)Cc1ccccc1 ZINC000347833432 403899707 /nfs/dbraw/zinc/89/97/07/403899707.db2.gz PLNDZPXWIIQIIH-LBPRGKRZSA-N 0 3 316.361 2.173 20 5 DEBDHN Cn1cnc([N+](=O)[O-])c1CN[C@@H](Cc1ccccc1)C1CC1 ZINC000347787981 403870026 /nfs/dbraw/zinc/87/00/26/403870026.db2.gz IFRXSGLMBWQYFW-AWEZNQCLSA-N 0 3 300.362 2.439 20 5 DEBDHN CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H]1CC=CCC1 ZINC000344071363 403889581 /nfs/dbraw/zinc/88/95/81/403889581.db2.gz RZPGAKKGSHDQHI-LBPRGKRZSA-N 0 3 303.362 2.482 20 5 DEBDHN CC(=O)N1C[C@@H]2CCC[C@@H](NCc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000344131260 403931468 /nfs/dbraw/zinc/93/14/68/403931468.db2.gz VUSUIPPJRFQMFG-HRCADAONSA-N 0 3 317.389 2.331 20 5 DEBDHN CC[C@@H](C)N1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000295943207 404021394 /nfs/dbraw/zinc/02/13/94/404021394.db2.gz GOUDUEAXHAWQAY-CQSZACIVSA-N 0 3 307.394 2.390 20 5 DEBDHN C[C@H](C(=O)N[C@@H]1CCCN(C)[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000347958708 403977189 /nfs/dbraw/zinc/97/71/89/403977189.db2.gz OOQKZZKJFPYOSY-ZIBATOQPSA-N 0 3 323.368 2.436 20 5 DEBDHN COC(=O)[C@]1(C)CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000337471445 404047198 /nfs/dbraw/zinc/04/71/98/404047198.db2.gz WDEGBWFUWUQQEL-BLLLJJGKSA-N 0 3 322.361 2.105 20 5 DEBDHN O=[N+]([O-])c1ccc(CN[C@H](CO)[C@@H]2CCCOC2)c(Cl)c1 ZINC000411988553 404048438 /nfs/dbraw/zinc/04/84/38/404048438.db2.gz ODYPLOAJVKOFKS-BXUZGUMPSA-N 0 3 314.769 2.125 20 5 DEBDHN CCn1cc([C@H](C)NC[C@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000296121678 404104133 /nfs/dbraw/zinc/10/41/33/404104133.db2.gz QYBWZWBHSAMGPM-NHYWBVRUSA-N 0 3 304.350 2.195 20 5 DEBDHN CN(C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1ccc(F)cc1 ZINC000290389217 404149461 /nfs/dbraw/zinc/14/94/61/404149461.db2.gz HZSMDUGEIUOTHY-LBPRGKRZSA-N 0 3 321.308 2.360 20 5 DEBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000344618708 404265163 /nfs/dbraw/zinc/26/51/63/404265163.db2.gz PUHMTVRWEHLFOV-HNNXBMFYSA-N 0 3 319.405 2.374 20 5 DEBDHN CN(C[C@@H](O)COc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000290802582 404319070 /nfs/dbraw/zinc/31/90/70/404319070.db2.gz PYRGNSLURAXODM-SNVBAGLBSA-N 0 3 300.742 2.082 20 5 DEBDHN Cc1cc(NC(=O)N2CC[C@]3(CCN(C)C3)C2)ccc1[N+](=O)[O-] ZINC000296989408 404402114 /nfs/dbraw/zinc/40/21/14/404402114.db2.gz YIEWISOZIWMIFR-INIZCTEOSA-N 0 3 318.377 2.463 20 5 DEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@H]1CCCS1(=O)=O ZINC000345021468 404501978 /nfs/dbraw/zinc/50/19/78/404501978.db2.gz SBERHOKVIVPTPW-INDWDQIESA-N 0 3 324.402 2.165 20 5 DEBDHN CCC[C@@]1(NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])CCOC1 ZINC000352822253 404647240 /nfs/dbraw/zinc/64/72/40/404647240.db2.gz FEIIAIKKSNSGFP-MRXNPFEDSA-N 0 3 321.377 2.391 20 5 DEBDHN CN(C)C(=O)[C@@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000414503455 404660121 /nfs/dbraw/zinc/66/01/21/404660121.db2.gz WHUTWIOTDXKAEP-BRLPQQTGSA-N 0 3 303.362 2.018 20 5 DEBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@@H](CO)C2CC2)c1 ZINC000353063302 404734675 /nfs/dbraw/zinc/73/46/75/404734675.db2.gz SKGAPOXTWXYJNO-NSHDSACASA-N 0 3 316.304 2.304 20 5 DEBDHN COCCNCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414884500 404758059 /nfs/dbraw/zinc/75/80/59/404758059.db2.gz NMJUTSURSWHBSD-UHFFFAOYSA-N 0 3 319.361 2.180 20 5 DEBDHN CN1CC[C@@]2(CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)C2)C1 ZINC000366574441 404818114 /nfs/dbraw/zinc/81/81/14/404818114.db2.gz YBFUVCRJJSTRSE-OAHLLOKOSA-N 0 3 323.780 2.416 20 5 DEBDHN CN1CC[C@]2(CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)C2)C1 ZINC000366574439 404818370 /nfs/dbraw/zinc/81/83/70/404818370.db2.gz YBFUVCRJJSTRSE-HNNXBMFYSA-N 0 3 323.780 2.416 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000415478688 404867784 /nfs/dbraw/zinc/86/77/84/404867784.db2.gz DHCBUJUAFRNCHS-NEPJUHHUSA-N 0 3 306.366 2.426 20 5 DEBDHN CCN1CCCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1NC ZINC000361222270 404981789 /nfs/dbraw/zinc/98/17/89/404981789.db2.gz WTFFDNKKUPCDOH-GFCCVEGCSA-N 0 3 320.393 2.241 20 5 DEBDHN C[C@@H]1CCN(C)CCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000354005628 404996209 /nfs/dbraw/zinc/99/62/09/404996209.db2.gz SESKIPJLQGWQAC-LLVKDONJSA-N 0 3 316.361 2.242 20 5 DEBDHN C[C@@H](NC(=O)N1C[C@@H](C)NC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000417128060 405043745 /nfs/dbraw/zinc/04/37/45/405043745.db2.gz HQQGRXMVBODXEQ-IJLUTSLNSA-N 0 3 306.366 2.048 20 5 DEBDHN CCCc1[nH]nc(C(=O)Nc2cc(C)cc(CN)c2)c1[N+](=O)[O-] ZINC000424246004 405047504 /nfs/dbraw/zinc/04/75/04/405047504.db2.gz SMJSZJVDOVIYSB-UHFFFAOYSA-N 0 3 317.349 2.290 20 5 DEBDHN Cc1ccc([C@H](C)NC(=O)N[C@H](C)CN(C)C)cc1[N+](=O)[O-] ZINC000354138298 405063722 /nfs/dbraw/zinc/06/37/22/405063722.db2.gz PUBOTLXIGAGUMB-NEPJUHHUSA-N 0 3 308.382 2.214 20 5 DEBDHN C[C@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])N1CCCC[C@@H]1C ZINC000354401880 405195982 /nfs/dbraw/zinc/19/59/82/405195982.db2.gz XPRVUSDXXKKCSO-NWDGAFQWSA-N 0 3 320.393 2.170 20 5 DEBDHN CO[C@@H]1C[C@H](N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000439507956 405283445 /nfs/dbraw/zinc/28/34/45/405283445.db2.gz BMNCSTDGYBJQRH-LEWSCRJBSA-N 0 3 321.377 2.325 20 5 DEBDHN CO[C@@H]1C[C@H](N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000439622370 405287132 /nfs/dbraw/zinc/28/71/32/405287132.db2.gz FRIGVJJRSIFCFD-DDTOSNHZSA-N 0 3 321.377 2.325 20 5 DEBDHN Cc1ccc(NC(=O)N2CCC[C@H]3CN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000425627810 405308766 /nfs/dbraw/zinc/30/87/66/405308766.db2.gz WIMJOSSYYLZAJX-SWLSCSKDSA-N 0 3 318.377 2.461 20 5 DEBDHN CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCCC[C@H]1O ZINC000426200287 405343337 /nfs/dbraw/zinc/34/33/37/405343337.db2.gz WEFITOVNIMIINW-CHWSQXEVSA-N 0 3 305.334 2.471 20 5 DEBDHN CC(C)c1ccc(CN[C@]2(CCO)CCOC2)cc1[N+](=O)[O-] ZINC000447069469 405401082 /nfs/dbraw/zinc/40/10/82/405401082.db2.gz VZEXPBUSXXGJSK-MRXNPFEDSA-N 0 3 308.378 2.349 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C[C@H]1CCCN1C ZINC000421024604 405433095 /nfs/dbraw/zinc/43/30/95/405433095.db2.gz CJKCZIJLERCAIS-GFCCVEGCSA-N 0 3 322.365 2.161 20 5 DEBDHN COc1cc(CN[C@@H](C)CC(C)(C)O)c([N+](=O)[O-])cc1OC ZINC000449453641 405566698 /nfs/dbraw/zinc/56/66/98/405566698.db2.gz XJNYYHQGZBEBRD-JTQLQIEISA-N 0 3 312.366 2.251 20 5 DEBDHN CCN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421739991 405622839 /nfs/dbraw/zinc/62/28/39/405622839.db2.gz GIEZQKFTTQIBHP-ZDUSSCGKSA-N 0 3 305.378 2.426 20 5 DEBDHN CC[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000459765376 406036475 /nfs/dbraw/zinc/03/64/75/406036475.db2.gz CPSJRMUDTNPNNL-SUHUHFCYSA-N 0 3 307.350 2.079 20 5 DEBDHN CC[C@H](C)NC(=O)CCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000519180650 406185527 /nfs/dbraw/zinc/18/55/27/406185527.db2.gz ZJNFNQDKBPRZHT-SMDDNHRTSA-N 0 3 305.378 2.477 20 5 DEBDHN CN(C)[C@@H]1CCCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000486970175 406195247 /nfs/dbraw/zinc/19/52/47/406195247.db2.gz ROLUEUVKNZFOAW-CYBMUJFWSA-N 0 3 317.349 2.175 20 5 DEBDHN CC[C@H]1CN(CCNCc2ccc([N+](=O)[O-])cc2C)CCO1 ZINC000487198393 406214865 /nfs/dbraw/zinc/21/48/65/406214865.db2.gz GGXKLOVEQFKZNG-INIZCTEOSA-N 0 3 307.394 2.104 20 5 DEBDHN COc1ccc(C(=O)N2CCCC[C@H]2CN(C)C)cc1[N+](=O)[O-] ZINC000521451110 406349103 /nfs/dbraw/zinc/34/91/03/406349103.db2.gz WDCDWQBHAXDPMW-ZDUSSCGKSA-N 0 3 321.377 2.160 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCN1CC[C@H](C)C1 ZINC000524771191 406458274 /nfs/dbraw/zinc/45/82/74/406458274.db2.gz SVWRGIPEOQUPBM-ZDUSSCGKSA-N 0 3 307.394 2.425 20 5 DEBDHN CCN1CCC(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000491062269 406524198 /nfs/dbraw/zinc/52/41/98/406524198.db2.gz WOMNDLXVCOVONH-BQYQJAHWSA-N 0 3 303.362 2.209 20 5 DEBDHN CN(CCN1CCCC1)C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000491449437 406595370 /nfs/dbraw/zinc/59/53/70/406595370.db2.gz PDNYTJJTPYFKHA-FNORWQNLSA-N 0 3 321.352 2.301 20 5 DEBDHN C[C@H]1CCN(C)CCN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000491886493 406764288 /nfs/dbraw/zinc/76/42/88/406764288.db2.gz OQLUZRGRISWGIO-GWJCSSMESA-N 0 3 303.362 2.161 20 5 DEBDHN C[C@@H](NC(=O)NCCN1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000299031306 286972503 /nfs/dbraw/zinc/97/25/03/286972503.db2.gz NXELZKRSFQAZCL-CYBMUJFWSA-N 0 3 320.393 2.441 20 5 DEBDHN Cc1c(CC(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000129173100 196025578 /nfs/dbraw/zinc/02/55/78/196025578.db2.gz LGTQFUMYPHBFDM-FZMZJTMJSA-N 0 3 317.389 2.187 20 5 DEBDHN CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000134472903 196394532 /nfs/dbraw/zinc/39/45/32/196394532.db2.gz HYOGGEXIQKPUGT-UHFFFAOYSA-N 0 3 311.769 2.414 20 5 DEBDHN O=[N+]([O-])c1ccc(OC2CCN(CCc3cn[nH]c3)CC2)cc1 ZINC000297584745 227332562 /nfs/dbraw/zinc/33/25/62/227332562.db2.gz DTPWJDCBDXMLFF-UHFFFAOYSA-N 0 3 316.361 2.404 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@H]1CC[C@@H](CO)O1)CCCC2 ZINC000417349142 229012603 /nfs/dbraw/zinc/01/26/03/229012603.db2.gz KKVPQPOCOLAOMR-VYDXJSESSA-N 0 3 320.389 2.492 20 5 DEBDHN Cc1ccc([C@H](C)NC(=O)N2CCN[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000417859655 229127987 /nfs/dbraw/zinc/12/79/87/229127987.db2.gz WWKBRJAPMJQLMG-FRRDWIJNSA-N 0 3 320.393 2.356 20 5 DEBDHN C[C@@H]1[C@H](Nc2nccc3cc([N+](=O)[O-])ccc32)CCCN1C ZINC000450443749 425073348 /nfs/dbraw/zinc/07/33/48/425073348.db2.gz VXNOJAUDPNXRCB-IAQYHMDHSA-N 0 3 300.362 3.038 20 5 DEBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCc1cnnn1C ZINC000287219614 268787357 /nfs/dbraw/zinc/78/73/57/268787357.db2.gz FYWHIIHDIDRHLU-NSHDSACASA-N 0 3 321.406 2.384 20 5 DEBDHN O=C([C@H]1CNCc2ccccc21)N1CCc2c1cccc2[N+](=O)[O-] ZINC000516182896 269358847 /nfs/dbraw/zinc/35/88/47/269358847.db2.gz ZBFIVEUPYVLPMO-HNNXBMFYSA-N 0 3 323.352 2.371 20 5 DEBDHN C[C@H](C(=O)N1CCC[C@@H](N(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000518274140 269398016 /nfs/dbraw/zinc/39/80/16/269398016.db2.gz JSQPHUIEZPKBGJ-SWLSCSKDSA-N 0 3 305.378 2.251 20 5 DEBDHN O=C1CCCN1[C@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000523702120 269469538 /nfs/dbraw/zinc/46/95/38/269469538.db2.gz NEMAMSREQHRMEX-INIZCTEOSA-N 0 3 317.389 2.224 20 5 DEBDHN C[C@@H]1CN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1C ZINC000362446998 274360008 /nfs/dbraw/zinc/36/00/08/274360008.db2.gz JNYWQSPRKJKLJS-JMSVASOKSA-N 0 3 303.362 2.288 20 5 DEBDHN C[C@H](N[C@@H](C)[C@H]1CCCOC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000355359556 274518616 /nfs/dbraw/zinc/51/86/16/274518616.db2.gz ZNFJEWGACKSVOZ-AVGNSLFASA-N 0 3 321.377 2.327 20 5 DEBDHN C[C@@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])N(C)C1CC1 ZINC000176162346 278281839 /nfs/dbraw/zinc/28/18/39/278281839.db2.gz LMXINWGZGIJHMH-VIFPVBQESA-N 0 3 311.769 2.461 20 5 DEBDHN C[C@@H](N[C@H](C)[C@@H](C)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000173394950 278378667 /nfs/dbraw/zinc/37/86/67/278378667.db2.gz GLKGACGIEURZAG-MGPQQGTHSA-N 0 3 307.394 2.355 20 5 DEBDHN C[C@@]1(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCC(=O)N1 ZINC000453428227 279162496 /nfs/dbraw/zinc/16/24/96/279162496.db2.gz PPHWQLGBWUTNEO-ZBFHGGJFSA-N 0 3 303.362 2.231 20 5 DEBDHN CC[C@@H]1CN(CCN[C@H]2CCc3c2cccc3[N+](=O)[O-])CCO1 ZINC000576291570 326283563 /nfs/dbraw/zinc/28/35/63/326283563.db2.gz LSVJDPBDIUCZMM-CJNGLKHVSA-N 0 3 319.405 2.283 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCN1CCOC[C@H]1C ZINC000576619726 326306670 /nfs/dbraw/zinc/30/66/70/326306670.db2.gz NSVNUCGTOLIOSQ-ZIAGYGMSSA-N 0 3 307.394 2.275 20 5 DEBDHN C[C@H]1CN(c2ncc([N+](=O)[O-])cc2F)CCN(C2CCC2)C1 ZINC000583368709 332363487 /nfs/dbraw/zinc/36/34/87/332363487.db2.gz LVJGDNWELOQYSH-LLVKDONJSA-N 0 3 308.357 2.440 20 5 DEBDHN Cc1cc(F)c(NC(=O)N2CC[C@@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000296652496 533811358 /nfs/dbraw/zinc/81/13/58/533811358.db2.gz FOUZNJWSLBTDOQ-SNVBAGLBSA-N 0 3 310.329 2.210 20 5 DEBDHN CN(CCN1CCCC1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000103119814 522827009 /nfs/dbraw/zinc/82/70/09/522827009.db2.gz DPOBHYPPQSZXEM-UHFFFAOYSA-N 0 3 311.769 2.416 20 5 DEBDHN CCCN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC(C)(C)O ZINC000444624168 528155140 /nfs/dbraw/zinc/15/51/40/528155140.db2.gz LERGKGQMCYXDMG-UHFFFAOYSA-N 0 3 306.366 2.454 20 5 DEBDHN CC(C)[C@@H]1CN(C)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000330966847 528743340 /nfs/dbraw/zinc/74/33/40/528743340.db2.gz HXVSGDMRIRONEK-HNNXBMFYSA-N 0 3 320.393 2.250 20 5 DEBDHN CCC1(CC)[C@H](NCc2c([N+](=O)[O-])ncn2C)[C@@H](C)[C@H]1OC ZINC000429288229 529108994 /nfs/dbraw/zinc/10/89/94/529108994.db2.gz WCWIGKBKVOXEDK-RAIGVLPGSA-N 0 3 310.398 2.258 20 5 DEBDHN CN(C)CCN(C(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccccc1 ZINC000348748899 535846272 /nfs/dbraw/zinc/84/62/72/535846272.db2.gz JLLWLMPKDOVGAW-UHFFFAOYSA-N 0 3 302.334 2.131 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000451599509 536956158 /nfs/dbraw/zinc/95/61/58/536956158.db2.gz XIUHANDTEAJQJB-NVXWUHKLSA-N 0 3 320.389 2.490 20 5 DEBDHN COc1ccc(CC(=O)OCC(C)[N+](=O)[O-])c(Cl)c1OC ZINC000835453413 649923772 /nfs/dbraw/zinc/92/37/72/649923772.db2.gz BZEJBMCWKWVSFB-MRVPVSSYSA-N 0 3 317.725 2.108 20 5 DEBDHN COc1c([O-])ccc(C[NH2+]C[C@@H]2CCO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000893293703 625408605 /nfs/dbraw/zinc/40/86/05/625408605.db2.gz ASDAIXFRELEWLA-WDEREUQCSA-N 0 3 310.350 2.214 20 5 DEBDHN Cc1c(C(=O)N[C@]2(C)CN3CCC2CC3)cccc1[N+](=O)[O-] ZINC000892800927 625620558 /nfs/dbraw/zinc/62/05/58/625620558.db2.gz QIKMSJRPMVZBEF-MRXNPFEDSA-N 0 3 303.362 2.117 20 5 DEBDHN C[C@@H](NC(=O)N1CCN[C@H](C)[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000892815705 625633280 /nfs/dbraw/zinc/63/32/80/625633280.db2.gz AYZJCTLNFYGAMY-IJLUTSLNSA-N 0 3 306.366 2.048 20 5 DEBDHN C[C@@H](NC(=O)N1CCN[C@@H](C)[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000892815709 625633408 /nfs/dbraw/zinc/63/34/08/625633408.db2.gz AYZJCTLNFYGAMY-TUAOUCFPSA-N 0 3 306.366 2.048 20 5 DEBDHN COc1c([O-])ccc(C[NH2+][C@@H](C)[C@@H]2CCCOC2)c1[N+](=O)[O-] ZINC000893472048 633815093 /nfs/dbraw/zinc/81/50/93/633815093.db2.gz JXVADFLAZUDZTI-CMPLNLGQSA-N 0 3 310.350 2.214 20 5 DEBDHN C[C@]1(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CCCCO1 ZINC000922815710 636425480 /nfs/dbraw/zinc/42/54/80/636425480.db2.gz FGAFTHICNBXQLY-MRXNPFEDSA-N 0 3 322.361 2.415 20 5 DEBDHN COc1c([O-])ccc(C[N@@H+]2CCC[C@@]2(C)CCCO)c1[N+](=O)[O-] ZINC000894484287 637065241 /nfs/dbraw/zinc/06/52/41/637065241.db2.gz DWRWMTMHMCZOED-INIZCTEOSA-N 0 3 324.377 2.436 20 5 DEBDHN COc1c([O-])ccc(C[N@H+]2CCC[C@@]2(C)CCCO)c1[N+](=O)[O-] ZINC000894484287 637065243 /nfs/dbraw/zinc/06/52/43/637065243.db2.gz DWRWMTMHMCZOED-INIZCTEOSA-N 0 3 324.377 2.436 20 5 DEBDHN COc1c(O)ccc(CN2CCC[C@@]2(C)CCCO)c1[N+](=O)[O-] ZINC000894484287 637065249 /nfs/dbraw/zinc/06/52/49/637065249.db2.gz DWRWMTMHMCZOED-INIZCTEOSA-N 0 3 324.377 2.436 20 5 DEBDHN Cn1ncc(CCCNCc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000894614917 637132442 /nfs/dbraw/zinc/13/24/42/637132442.db2.gz WPLNDIILSOWLRP-UHFFFAOYSA-N 0 3 309.757 2.099 20 5 DEBDHN O=[N+]([O-])c1cccc(-c2ccc(CNC[C@H]3COCO3)o2)c1 ZINC000894873895 637281427 /nfs/dbraw/zinc/28/14/27/637281427.db2.gz UHXLTNNADYBYLA-AWEZNQCLSA-N 0 3 304.302 2.317 20 5 DEBDHN C[C@H]1[C@@H](Nc2c3cc(F)ccc3ncc2[N+](=O)[O-])CCN1C ZINC000895736051 638177832 /nfs/dbraw/zinc/17/78/32/638177832.db2.gz ZYVVLZUJHVMANX-CABZTGNLSA-N 0 3 304.325 2.209 20 5 DEBDHN COCC(C)(C)CC[NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC000895930008 638272779 /nfs/dbraw/zinc/27/27/79/638272779.db2.gz CYQHKLGISLWZED-UHFFFAOYSA-N 0 3 312.366 2.461 20 5 DEBDHN O=[N+]([O-])c1ccc(CNC[C@H]2C[C@@H]3COC[C@@H]3O2)cc1Cl ZINC000896857853 638731816 /nfs/dbraw/zinc/73/18/16/638731816.db2.gz SRLZNZVDASZZMB-GYSYKLTISA-N 0 3 312.753 2.142 20 5 DEBDHN Cc1nn(C)cc1[C@@H](C)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000754135177 639393657 /nfs/dbraw/zinc/39/36/57/639393657.db2.gz FSTQDWFCZLSFLZ-MEBBXXQBSA-N 0 3 304.350 2.021 20 5 DEBDHN CNC(=O)[C@@H]1CCC[C@@H]1NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000765794554 640819166 /nfs/dbraw/zinc/81/91/66/640819166.db2.gz DNIHJGBLAIALHN-NEPJUHHUSA-N 0 3 311.769 2.253 20 5 DEBDHN COC(=O)C[C@@]1(NCc2ccc(C)c([N+](=O)[O-])c2)CCCOC1 ZINC000770674426 641406925 /nfs/dbraw/zinc/40/69/25/641406925.db2.gz BZPDDQMRIXLSEG-INIZCTEOSA-N 0 3 322.361 2.105 20 5 DEBDHN Cc1ccsc1[C@@H](CO)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000778160371 642346033 /nfs/dbraw/zinc/34/60/33/642346033.db2.gz UMTNSCRVSVORLR-ZIAGYGMSSA-N 0 3 322.386 2.321 20 5 DEBDHN C[C@H]1[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCN1C ZINC000902929757 643195447 /nfs/dbraw/zinc/19/54/47/643195447.db2.gz YHAIZCNJPAEUNA-KWQFWETISA-N 0 3 312.757 2.462 20 5 DEBDHN CC[S@](=O)CCN[C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903096249 643254484 /nfs/dbraw/zinc/25/44/84/643254484.db2.gz BHKBXHKXHKJVQX-FVINQWEUSA-N 0 3 300.380 2.023 20 5 DEBDHN CCN1C[C@@H](C)N(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1C ZINC000792873407 644162666 /nfs/dbraw/zinc/16/26/66/644162666.db2.gz SKBUCDBFJYTHLF-VXGBXAGGSA-N 0 3 322.365 2.418 20 5 DEBDHN C[C@H](NC(=O)NC[C@H]1CCCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000912152895 645966066 /nfs/dbraw/zinc/96/60/66/645966066.db2.gz JUCHLUHRCZALMM-SWLSCSKDSA-N 0 3 320.393 2.439 20 5 DEBDHN COc1ccccc1-n1ncc(C(=O)OCC(C)[N+](=O)[O-])c1C ZINC000813101743 646728430 /nfs/dbraw/zinc/72/84/30/646728430.db2.gz IDYSLFJVRRLRQL-SNVBAGLBSA-N 0 3 319.317 2.011 20 5 DEBDHN CC(C)NC(=O)Nc1ccccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813103279 646728784 /nfs/dbraw/zinc/72/87/84/646728784.db2.gz BMGAHIZSKGINEO-SNVBAGLBSA-N 0 3 309.322 2.039 20 5 DEBDHN CC(COC(=O)c1ccc(Br)cc1F)[N+](=O)[O-] ZINC000813103749 646729017 /nfs/dbraw/zinc/72/90/17/646729017.db2.gz SIBYLFUQIXUMJK-LURJTMIESA-N 0 3 306.087 2.410 20 5 DEBDHN Cc1cn(-c2ccc(F)cc2)nc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813104898 646729314 /nfs/dbraw/zinc/72/93/14/646729314.db2.gz SPEIQUPWRYBSAE-SNVBAGLBSA-N 0 3 307.281 2.142 20 5 DEBDHN CCn1cc(Br)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813110154 646730467 /nfs/dbraw/zinc/73/04/67/646730467.db2.gz ZYNDTUCKBXQECS-ZETCQYMHSA-N 0 3 305.128 2.093 20 5 DEBDHN CC(COC(=O)c1cnn(-c2ccc(Cl)cc2)c1)[N+](=O)[O-] ZINC000813109173 646730731 /nfs/dbraw/zinc/73/07/31/646730731.db2.gz GNIFZBDERRPCAF-VIFPVBQESA-N 0 3 309.709 2.348 20 5 DEBDHN CC(COC(=O)CCC(=O)c1ccc(F)cc1F)[N+](=O)[O-] ZINC000813107955 646730792 /nfs/dbraw/zinc/73/07/92/646730792.db2.gz RXYXNKLLHYCWJO-QMMMGPOBSA-N 0 3 301.245 2.136 20 5 DEBDHN CC(COC(=O)COc1ccccc1C(F)(F)F)[N+](=O)[O-] ZINC000813111300 646731367 /nfs/dbraw/zinc/73/13/67/646731367.db2.gz RAVYXFGVJBQVNN-MRVPVSSYSA-N 0 3 307.224 2.293 20 5 DEBDHN CCOc1cn(-c2ccccc2)nc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813111558 646731553 /nfs/dbraw/zinc/73/15/53/646731553.db2.gz URMXAHKFQLZDMK-NSHDSACASA-N 0 3 319.317 2.093 20 5 DEBDHN CC(COC(=O)c1cnn(Cc2ccccc2Cl)c1)[N+](=O)[O-] ZINC000813114655 646732196 /nfs/dbraw/zinc/73/21/96/646732196.db2.gz FCZIQMNZQOQHLK-JTQLQIEISA-N 0 3 323.736 2.407 20 5 DEBDHN COc1ccc(CCCC(=O)OCC(C)[N+](=O)[O-])c(OC)c1 ZINC000813114808 646732860 /nfs/dbraw/zinc/73/28/60/646732860.db2.gz HCRVREXJQXKOGF-LLVKDONJSA-N 0 3 311.334 2.235 20 5 DEBDHN C[C@H](NC(=O)N[C@@H]1CCN(C)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000914239712 647232217 /nfs/dbraw/zinc/23/22/17/647232217.db2.gz MYFZOZFDASKITQ-MISXGVKJSA-N 0 3 306.366 2.048 20 5 DEBDHN O=[N+]([O-])c1cccc([C@H](O)CNCc2ccc(CO)c(F)c2)c1 ZINC000819166378 647599434 /nfs/dbraw/zinc/59/94/34/647599434.db2.gz VTKSVDMILHFSTD-MRXNPFEDSA-N 0 3 320.320 2.049 20 5 DEBDHN CC(=O)N1C[C@H]2CN([C@H](C)c3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC000821329078 648035070 /nfs/dbraw/zinc/03/50/70/648035070.db2.gz UYRNYXQWIIEYCV-BNOWGMLFSA-N 0 3 303.362 2.066 20 5 DEBDHN CN(C)[C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])Cc1ccccc1 ZINC000822238108 648171376 /nfs/dbraw/zinc/17/13/76/648171376.db2.gz SVZQEYUONUQANI-HNNXBMFYSA-N 0 3 321.421 2.111 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCN[C@H](C(C)C)C1 ZINC000824777424 648651849 /nfs/dbraw/zinc/65/18/49/648651849.db2.gz DSRMHWOERWFPLJ-ZDUSSCGKSA-N 0 3 305.378 2.282 20 5 DEBDHN C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2F)CN1C1CC1 ZINC000829863580 649366176 /nfs/dbraw/zinc/36/61/76/649366176.db2.gz PUUGUIMRZPCTIG-UWVGGRQHSA-N 0 3 307.325 2.089 20 5 DEBDHN CC([C@@H](OC(=O)c1ccnn1C)c1ccccc1F)[N+](=O)[O-] ZINC000845873745 651291215 /nfs/dbraw/zinc/29/12/15/651291215.db2.gz FWFJMPDJIAHTON-NOZJJQNGSA-N 0 3 307.281 2.123 20 5 DEBDHN O=[N+]([O-])c1ccc(Cl)cc1CNCC[C@]1(O)CCCOC1 ZINC000846112228 651308346 /nfs/dbraw/zinc/30/83/46/651308346.db2.gz YKOBKCTUHFCGGJ-CQSZACIVSA-N 0 3 314.769 2.269 20 5 DEBDHN CCN(C(=O)c1cc([N+](=O)[O-])ccc1F)[C@@H]1CCN(CC)C1 ZINC000855487331 651708295 /nfs/dbraw/zinc/70/82/95/651708295.db2.gz UBARKNIZSZYGDE-GFCCVEGCSA-N 0 3 309.341 2.290 20 5 DEBDHN CCN(C(=O)c1cc([N+](=O)[O-])ccc1F)[C@H]1CCN(CC)C1 ZINC000855487333 651708396 /nfs/dbraw/zinc/70/83/96/651708396.db2.gz UBARKNIZSZYGDE-LBPRGKRZSA-N 0 3 309.341 2.290 20 5 DEBDHN N=C(NOCc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CCCO1 ZINC000853698116 652591211 /nfs/dbraw/zinc/59/12/11/652591211.db2.gz NDHBWQLVGQRJCV-LLVKDONJSA-N 0 3 301.249 2.050 20 5 DEBDHN CC(COC(=O)c1ccc(O[C@@H]2CC2(F)F)cc1)[N+](=O)[O-] ZINC000860776139 685960142 /nfs/dbraw/zinc/96/01/42/685960142.db2.gz BXNKDCWGWVMWMI-LDYMZIIASA-N 0 3 301.245 2.295 20 5 DEBDHN C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])NC[C@H](O)C(F)(F)F ZINC000866241258 687505140 /nfs/dbraw/zinc/50/51/40/687505140.db2.gz ZXANADVWKSCLLG-CPCISQLKSA-N 0 3 310.247 2.178 20 5 DEBDHN C[C@@H](NC[C@H](O)CCC1(O)CCC1)c1ccccc1[N+](=O)[O-] ZINC000930235925 694117090 /nfs/dbraw/zinc/11/70/90/694117090.db2.gz SFBRMSLKTCBTRC-CHWSQXEVSA-N 0 3 308.378 2.302 20 5 DEBDHN C[C@H]1C[C@H](NC(=O)Cc2cccc(F)c2[N+](=O)[O-])CN1C1CC1 ZINC000866457603 687580200 /nfs/dbraw/zinc/58/02/00/687580200.db2.gz QXLVSNHFDXNXCW-JQWIXIFHSA-N 0 3 321.352 2.018 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000930317591 694135224 /nfs/dbraw/zinc/13/52/24/694135224.db2.gz VHGHYAGJVOBXGV-NEPJUHHUSA-N 0 3 306.366 2.426 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C)C(C)(C)CC1 ZINC000871150298 688735961 /nfs/dbraw/zinc/73/59/61/688735961.db2.gz NASGXCFJMIXDKV-UHFFFAOYSA-N 0 3 321.377 2.160 20 5 DEBDHN COc1cc(C(=O)N2CCN(C)C(C)(C)CC2)ccc1[N+](=O)[O-] ZINC000871153081 688736696 /nfs/dbraw/zinc/73/66/96/688736696.db2.gz FIXNOVVYZGCXQJ-UHFFFAOYSA-N 0 3 321.377 2.160 20 5 DEBDHN CO[C@@](C)(CO)CN[C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872084714 688924394 /nfs/dbraw/zinc/92/43/94/688924394.db2.gz UIPHAZBPDDAIFU-IINYFYTJSA-N 0 3 314.407 2.365 20 5 DEBDHN Cc1ccc(CNCCC(=O)Nc2cccnc2)cc1[N+](=O)[O-] ZINC000872232000 688958627 /nfs/dbraw/zinc/95/86/27/688958627.db2.gz WQFJGEUFJKEAQU-UHFFFAOYSA-N 0 3 314.345 2.417 20 5 DEBDHN Cc1cc(F)cc(C(=O)N2CC[C@H]3[C@H]2CCCN3C)c1[N+](=O)[O-] ZINC000874838966 689511158 /nfs/dbraw/zinc/51/11/58/689511158.db2.gz SLJSXMDTOYVQQO-UONOGXRCSA-N 0 3 321.352 2.351 20 5 DEBDHN CN1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C(C)(C)C ZINC000878840118 690510569 /nfs/dbraw/zinc/51/05/69/690510569.db2.gz KNZFVJFCWHKCSN-HOTGVXAUSA-N 0 3 321.421 2.290 20 5 DEBDHN CO[C@H]1COCC[C@H]1N(C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000880432760 690897732 /nfs/dbraw/zinc/89/77/32/690897732.db2.gz HLFINFQDIOALJF-OCCSQVGLSA-N 0 3 314.769 2.484 20 5 DEBDHN CN(C)C1CN(c2cc(F)cc(Br)c2[N+](=O)[O-])C1 ZINC000882140892 691224118 /nfs/dbraw/zinc/22/41/18/691224118.db2.gz VOYXFHOOWKOINI-UHFFFAOYSA-N 0 3 318.146 2.247 20 5 DEBDHN O=[N+]([O-])c1ccc2nc(NC[C@H]3CSCCN3)sc2c1 ZINC000882728568 691349789 /nfs/dbraw/zinc/34/97/89/691349789.db2.gz BNQPNVBWIMXDIN-QMMMGPOBSA-N 0 3 310.404 2.321 20 5 DEBDHN O=C1C[C@@H](NC/C=C\c2ccccc2[N+](=O)[O-])CN1CC1CC1 ZINC000883403892 691499145 /nfs/dbraw/zinc/49/91/45/691499145.db2.gz ICIUQGRSPFVGPV-UYWPIULCSA-N 0 3 315.373 2.209 20 5 DEBDHN COC(=O)[C@H]1CCCC[C@]1(C)NCc1cccnc1[N+](=O)[O-] ZINC000886087129 692000545 /nfs/dbraw/zinc/00/05/45/692000545.db2.gz QKDDQQYGDOPQRR-DOMZBBRYSA-N 0 3 307.350 2.201 20 5 DEBDHN CCN(C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C)C1 ZINC000925245539 693246594 /nfs/dbraw/zinc/24/65/94/693246594.db2.gz FVXOZALLEMFEDQ-DOMZBBRYSA-N 0 3 320.393 2.391 20 5 DEBDHN Cc1[nH]cnc1C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC001344014707 1150792002 /nfs/dbraw/zinc/79/20/02/1150792002.db2.gz ZHRJDATWUKWJLN-TVQRCGJNSA-N 0 3 307.281 2.421 20 5 DEBDHN CC(C)CN1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000612437888 719339801 /nfs/dbraw/zinc/33/98/01/719339801.db2.gz PZGFLSDZOUTGEU-UHFFFAOYSA-N 0 3 315.377 2.316 20 5 DEBDHN CN(CC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)CC(C)(C)C ZINC001332454465 1149861280 /nfs/dbraw/zinc/86/12/80/1149861280.db2.gz MITXFBWLBSWEOP-UHFFFAOYSA-N 0 3 305.378 2.415 20 5 DEBDHN O=C(Cc1ccco1)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001168908969 784963798 /nfs/dbraw/zinc/96/37/98/784963798.db2.gz MUJCMJGPSRZQAO-UHFFFAOYSA-N 0 3 323.374 2.088 20 5 DEBDHN C[C@@H](N)c1ccn(-c2ccc(-c3cccc([N+](=O)[O-])c3)nn2)n1 ZINC001169230018 785098841 /nfs/dbraw/zinc/09/88/41/785098841.db2.gz NVMQQQKUNZZBOU-SNVBAGLBSA-N 0 3 310.317 2.257 20 5 DEBDHN CN1CC[C@H](Nc2cc([N+](=O)[O-])cc3c(Cl)ncnc23)C1 ZINC001156581474 785705593 /nfs/dbraw/zinc/70/55/93/785705593.db2.gz PXZVVLLCUYDOKR-QMMMGPOBSA-N 0 3 307.741 2.307 20 5 DEBDHN CN1CC(CNc2cnc(Oc3ccc([N+](=O)[O-])cc3)nc2)C1 ZINC001170254499 786888760 /nfs/dbraw/zinc/88/87/60/786888760.db2.gz NXQAQGGMNMDNKK-UHFFFAOYSA-N 0 3 315.333 2.151 20 5 DEBDHN CCN1CCN([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170327214 786909134 /nfs/dbraw/zinc/90/91/34/786909134.db2.gz FVZOIYXOZISSOS-ZDUSSCGKSA-N 0 3 307.394 2.172 20 5 DEBDHN COc1ccc(C[C@@H](C)N2CC[C@](C)(CO)C2)c([N+](=O)[O-])c1 ZINC001170329067 786911652 /nfs/dbraw/zinc/91/16/52/786911652.db2.gz NVWXOSRTAVLPTD-WBMJQRKESA-N 0 3 308.378 2.239 20 5 DEBDHN COc1ccc(C[C@@H](C)N2CC(C)(N(C)C)C2)c([N+](=O)[O-])c1 ZINC001170352867 786916889 /nfs/dbraw/zinc/91/68/89/786916889.db2.gz SFYMANVAAFSYTR-GFCCVEGCSA-N 0 3 307.394 2.170 20 5 DEBDHN CC(C)(C(=O)NCCNCc1cccc([N+](=O)[O-])c1)C(F)F ZINC001133571713 788493347 /nfs/dbraw/zinc/49/33/47/788493347.db2.gz ZEBJFAZDVKIUIV-UHFFFAOYSA-N 0 3 315.320 2.092 20 5 DEBDHN CCCN(C)CC(=O)N(C)CCNc1ccc(C)cc1[N+](=O)[O-] ZINC001101705631 793330294 /nfs/dbraw/zinc/33/02/94/793330294.db2.gz PWPZRILNEKLFIL-UHFFFAOYSA-N 0 3 322.409 2.115 20 5 DEBDHN O=[N+]([O-])c1ccccc1CNC[C@H](O)COCc1ccccc1 ZINC000065668074 793994096 /nfs/dbraw/zinc/99/40/96/793994096.db2.gz RAQZWCYUEDFSPW-INIZCTEOSA-N 0 3 316.357 2.262 20 5 DEBDHN CC(C)(C)N1CCN(c2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC001115862603 794931377 /nfs/dbraw/zinc/93/13/77/794931377.db2.gz ZDMLXWXIAVJUSS-UHFFFAOYSA-N 0 3 305.338 2.052 20 5 DEBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC001123262656 795882354 /nfs/dbraw/zinc/88/23/54/795882354.db2.gz BOTQHMJUOLUFNY-UHFFFAOYSA-N 0 3 305.359 2.176 20 5 DEBDHN Cc1cccc(CN2CC[C@@H](Nc3ccncc3[N+](=O)[O-])C2)c1 ZINC001187190616 796497560 /nfs/dbraw/zinc/49/75/60/796497560.db2.gz RVPSQJLPCKVNAU-OAHLLOKOSA-N 0 3 312.373 2.407 20 5 DEBDHN CCN1[C@H](C)CN(c2nc3ccccn3c2[N+](=O)[O-])C[C@@H]1C ZINC001187446413 796537517 /nfs/dbraw/zinc/53/75/17/796537517.db2.gz YIZQUAZVKHTFKP-TXEJJXNPSA-N 0 3 303.366 2.161 20 5 DEBDHN Cc1occc1C(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001154478571 797542281 /nfs/dbraw/zinc/54/22/81/797542281.db2.gz QUFKJYHXJXENCD-UHFFFAOYSA-N 0 3 317.345 2.406 20 5 DEBDHN COc1nc(N[C@H]2CNCc3ccsc32)ccc1[N+](=O)[O-] ZINC001155559737 797790107 /nfs/dbraw/zinc/79/01/07/797790107.db2.gz QKIVHGXBSWBNLL-VIFPVBQESA-N 0 3 306.347 2.316 20 5 DEBDHN COc1cnc(-n2c3ccccc3nc2[C@H](C)N)cc1[N+](=O)[O-] ZINC001162764023 799169157 /nfs/dbraw/zinc/16/91/57/799169157.db2.gz SXVLBOMSUBAWSI-VIFPVBQESA-N 0 3 313.317 2.357 20 5 DEBDHN CC(F)(F)CC(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001166035597 799817064 /nfs/dbraw/zinc/81/70/64/799817064.db2.gz DGMDZYGVRWKXHE-UHFFFAOYSA-N 0 3 315.320 2.236 20 5 DEBDHN CN(CCCNC(=O)c1ccc[nH]1)Cc1cccc([N+](=O)[O-])c1 ZINC001233874673 802231319 /nfs/dbraw/zinc/23/13/19/802231319.db2.gz VZILZWNFFUBANP-UHFFFAOYSA-N 0 3 316.361 2.175 20 5 DEBDHN Nc1ccc2n(C(=O)[C@@H]3CCCCN3)c3ccccc3cc-2c1=O ZINC001219253624 802302895 /nfs/dbraw/zinc/30/28/95/802302895.db2.gz CHMCNUHZIVBLTB-HNNXBMFYSA-N 0 3 321.380 2.471 20 5 DEBDHN CN1CC[C@@H](Oc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC001225504200 802974687 /nfs/dbraw/zinc/97/46/87/802974687.db2.gz NNKGYBNTWHEAFQ-SECBINFHSA-N 0 3 301.140 2.440 20 5 DEBDHN CN1CCC(Oc2ncc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001225843353 803018731 /nfs/dbraw/zinc/01/87/31/803018731.db2.gz DQEIVPDNIRMMCI-UHFFFAOYSA-N 0 3 305.256 2.482 20 5 DEBDHN CCOc1cc(NC(=O)N2C[C@@H](C)NC[C@@H]2C)ccc1[N+](=O)[O-] ZINC001578168214 1067003409 /nfs/dbraw/zinc/00/34/09/1067003409.db2.gz ANIFXGWPFRKIOD-MNOVXSKESA-N 0 3 322.365 2.208 20 5 DEBDHN Cc1c(CN)c(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])nn1C ZINC001579532482 1067365034 /nfs/dbraw/zinc/36/50/34/1067365034.db2.gz UXZZJDDGCYAKLD-UHFFFAOYSA-N 0 3 323.740 2.001 20 5 DEBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CCN[C@H](c2ccccc2)C1 ZINC001643213487 1078791211 /nfs/dbraw/zinc/79/12/11/1078791211.db2.gz DUYBEDXHRUHSHM-AWEZNQCLSA-N 0 3 315.377 2.271 20 5 DEBDHN CC(C)C[C@H](N)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001573502387 1069019725 /nfs/dbraw/zinc/01/97/25/1069019725.db2.gz OBQFVXICENVYFR-HNNXBMFYSA-N 0 3 305.378 2.459 20 5 DEBDHN CC(C)C[C@@H](N)C(=O)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC001573503531 1069022222 /nfs/dbraw/zinc/02/22/22/1069022222.db2.gz HLJCANYLLAPUEV-CYBMUJFWSA-N 0 3 302.334 2.455 20 5 DEBDHN COc1cc(CN[C@@H]2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1[O-] ZINC001560358682 1075138651 /nfs/dbraw/zinc/13/86/51/1075138651.db2.gz SLOMWRQJJHVVME-OLZOCXBDSA-N 0 3 323.393 2.271 20 5 DEBDHN C[C@H]1CC[C@H](C)[N@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001590227769 1076592570 /nfs/dbraw/zinc/59/25/70/1076592570.db2.gz RHASLODNYKZMIJ-QWRGUYRKSA-N 0 3 316.365 2.395 20 5 DEBDHN C[C@H]1CC[C@H](C)[N@@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001590227769 1076592571 /nfs/dbraw/zinc/59/25/71/1076592571.db2.gz RHASLODNYKZMIJ-QWRGUYRKSA-N 0 3 316.365 2.395 20 5 DEBDHN C[C@H]1CC[C@H](C)[N@H+](Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001590227769 1076592576 /nfs/dbraw/zinc/59/25/76/1076592576.db2.gz RHASLODNYKZMIJ-QWRGUYRKSA-N 0 3 316.365 2.395 20 5 DEBDHN C[C@H]1CC[C@H](C)[N@@H+](Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001590227769 1076592578 /nfs/dbraw/zinc/59/25/78/1076592578.db2.gz RHASLODNYKZMIJ-QWRGUYRKSA-N 0 3 316.365 2.395 20 5 DEBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1C[NH+]1CCCCCC1 ZINC001593466992 1077006189 /nfs/dbraw/zinc/00/61/89/1077006189.db2.gz JDOGQBUZZVHRHZ-UHFFFAOYSA-N 0 3 302.338 2.151 20 5 DEBDHN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC001595333411 1077060843 /nfs/dbraw/zinc/06/08/43/1077060843.db2.gz ATPSABYNLYOIJZ-YGRLFVJLSA-N 0 3 321.352 2.255 20 5 DEBDHN NC(=O)[C@H]1CCCC[C@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC001653213908 1079917419 /nfs/dbraw/zinc/91/74/19/1079917419.db2.gz USFAEJMSFQOWRZ-WCQYABFASA-N 0 3 311.769 2.382 20 5 DEBDHN CCCC(=O)NC[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001656179103 1080060064 /nfs/dbraw/zinc/06/00/64/1080060064.db2.gz NGHPVCOASQMQLY-MQMHXKEQSA-N 0 3 305.378 2.379 20 5 DEBDHN CCC(=O)NCCCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001660634852 1080370907 /nfs/dbraw/zinc/37/09/07/1080370907.db2.gz DGIOTORPJMIBBG-UHFFFAOYSA-N 0 3 305.378 2.476 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCO[C@@H](C(C)(C)C)CC1 ZINC001660688717 1080378823 /nfs/dbraw/zinc/37/88/23/1080378823.db2.gz YPPKGCMHBHGWHY-CYBMUJFWSA-N 0 3 310.398 2.237 20 5 DEBDHN COc1cc(C[NH2+]CC(C)(C)C[C@@H](C)O)c([N+](=O)[O-])cc1[O-] ZINC001661546667 1080491904 /nfs/dbraw/zinc/49/19/04/1080491904.db2.gz YPGGCZPFBBEOOD-SNVBAGLBSA-N 0 3 312.366 2.196 20 5 DEBDHN C/C=C(/C)C(=O)NCCCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC001490176697 1093233818 /nfs/dbraw/zinc/23/38/18/1093233818.db2.gz UPVDBQJHWYMWBN-PQMHYQBVSA-N 0 3 305.378 2.499 20 5 DEBDHN C[C@H](OCCCN1CCN(C)CC1)c1ccccc1[N+](=O)[O-] ZINC001206590382 1138323768 /nfs/dbraw/zinc/32/37/68/1138323768.db2.gz KXIIFESCHOATRA-AWEZNQCLSA-N 0 3 307.394 2.310 20 5 DEBDHN N[C@H](Cc1nc(-c2ccncc2)no1)c1ccccc1[N+](=O)[O-] ZINC001249342218 1141876946 /nfs/dbraw/zinc/87/69/46/1141876946.db2.gz HPRDBEXCNVIGSQ-GFCCVEGCSA-N 0 3 311.301 2.282 20 5 DEBDHN O=[N+]([O-])c1ccc(CNC[C@H](O)CC2(O)CCCCC2)cc1 ZINC001336709229 1142542343 /nfs/dbraw/zinc/54/23/43/1142542343.db2.gz BJRAIGOXOSKOIF-OAHLLOKOSA-N 0 3 308.378 2.131 20 5 DEBDHN Cc1ncc([N+](=O)[O-])cc1-c1nc([C@@H]2CN3CCC2CC3)no1 ZINC001342544881 1143822773 /nfs/dbraw/zinc/82/27/73/1143822773.db2.gz IICWUJSCXBDMHD-CYBMUJFWSA-N 0 3 315.333 2.157 20 5 DEBDHN Cc1ccc(CN2CC[C@H](Nc3ccncc3[N+](=O)[O-])C2)cc1 ZINC001307192628 1147404062 /nfs/dbraw/zinc/40/40/62/1147404062.db2.gz ZUOMAWDWQVKHLA-HNNXBMFYSA-N 0 3 312.373 2.407 20 5 DEBDHN O=[N+]([O-])c1cnc(N2CCN[C@@H](c3ccccc3)C2)c(F)c1 ZINC001307214880 1147407517 /nfs/dbraw/zinc/40/75/17/1147407517.db2.gz XBHVPXBWPRHPDN-CQSZACIVSA-N 0 3 302.309 2.280 20 5 DEBDHN NC(=O)c1cccc(CCNCc2ccc([N+](=O)[O-])cc2F)c1 ZINC001308689912 1147483426 /nfs/dbraw/zinc/48/34/26/1147483426.db2.gz NLVHDQFRACCJJO-UHFFFAOYSA-N 0 3 317.320 2.165 20 5 DEBDHN COc1ccc(NC(=O)[C@@H](N)C2CCCCC2)cc1[N+](=O)[O-] ZINC001326304916 1148073876 /nfs/dbraw/zinc/07/38/76/1148073876.db2.gz AWNBVVGEGGJIDF-AWEZNQCLSA-N 0 3 307.350 2.450 20 5 DEBDHN CN(C)CCN(Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCO1 ZINC000349048613 282096146 /nfs/dbraw/zinc/09/61/46/282096146.db2.gz ZERRCFRZLDXPRP-INIZCTEOSA-N 0 3 307.394 2.137 20 5 DEBDHN CS[C@@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)C[C@@H]1N(C)C ZINC000278427663 214144745 /nfs/dbraw/zinc/14/47/45/214144745.db2.gz PGIRTLJYJNVKOQ-UONOGXRCSA-N 0 3 322.434 2.045 20 5 DEBDHN Cn1nccc1N1CCC[C@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000278469969 214173336 /nfs/dbraw/zinc/17/33/36/214173336.db2.gz GZHVUOHSRHHLIB-AWEZNQCLSA-N 0 3 315.377 2.087 20 5 DEBDHN C[C@H]1CN(C2CCOCC2)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000278753865 214376324 /nfs/dbraw/zinc/37/63/24/214376324.db2.gz VCLACHTWBWMFKY-AWEZNQCLSA-N 0 3 319.405 2.280 20 5 DEBDHN Cc1ccc(CN(C)CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000090512200 185299714 /nfs/dbraw/zinc/29/97/14/185299714.db2.gz OALRYYSCKBTAFA-UHFFFAOYSA-N 0 3 301.346 2.197 20 5 DEBDHN CNC(=O)CCCNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000272808155 210209358 /nfs/dbraw/zinc/20/93/58/210209358.db2.gz GGGUNCYTKQBOQS-UHFFFAOYSA-N 0 3 302.334 2.390 20 5 DEBDHN CN1CC[C@@H]2CCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000296817064 529797114 /nfs/dbraw/zinc/79/71/14/529797114.db2.gz QPFLXTZSPJLVTE-QMTHXVAHSA-N 0 3 323.780 2.414 20 5 DEBDHN CN(CCNc1ncc([N+](=O)[O-])cn1)Cc1ccc(F)cc1 ZINC000302152868 529918390 /nfs/dbraw/zinc/91/83/90/529918390.db2.gz LFJMQVSEPYDTLO-UHFFFAOYSA-N 0 3 305.313 2.068 20 5 DEBDHN COc1cc(CN[C@@H]2CC[C@H](OC)C2)c([N+](=O)[O-])cc1OC ZINC000190943561 282328281 /nfs/dbraw/zinc/32/82/81/282328281.db2.gz BMJSSEWIZKBUJG-NEPJUHHUSA-N 0 3 310.350 2.269 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCN(CCO)C(C)(C)C1 ZINC000614923864 362492243 /nfs/dbraw/zinc/49/22/43/362492243.db2.gz WOGUNYUGLWJZFP-AWEZNQCLSA-N 0 3 321.421 2.353 20 5 DEBDHN CC[C@]1(NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])CCOC1 ZINC000616865191 362951908 /nfs/dbraw/zinc/95/19/08/362951908.db2.gz HXBJPZAESAIKGS-HNNXBMFYSA-N 0 3 307.350 2.000 20 5 DEBDHN Cc1ccc(C(=O)N(C)CC2(N(C)C)CCC2)cc1[N+](=O)[O-] ZINC000188012691 186243440 /nfs/dbraw/zinc/24/34/40/186243440.db2.gz KOTMPWSQPRTGKJ-UHFFFAOYSA-N 0 3 305.378 2.460 20 5 DEBDHN CS[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2C)C[C@@H]1N(C)C ZINC000270457716 186395551 /nfs/dbraw/zinc/39/55/51/186395551.db2.gz KFQUCDZZPOMSDD-KBPBESRZSA-N 0 3 323.418 2.021 20 5 DEBDHN COC(=O)CCCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174247071 198310131 /nfs/dbraw/zinc/31/01/31/198310131.db2.gz CLKAGBOIKGVIFP-UHFFFAOYSA-N 0 3 322.361 2.391 20 5 DEBDHN CC(C)C(=O)N1CCC(NCc2ccccc2[N+](=O)[O-])CC1 ZINC000236772322 202000566 /nfs/dbraw/zinc/00/05/66/202000566.db2.gz IXVBWEBNZSBXKT-UHFFFAOYSA-N 0 3 305.378 2.331 20 5 DEBDHN COC1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000041897016 354180687 /nfs/dbraw/zinc/18/06/87/354180687.db2.gz VFIAKSPSCDTLTE-UHFFFAOYSA-N 0 3 307.350 2.034 20 5 DEBDHN O=[N+]([O-])c1cc(F)ccc1N1CCN(c2ccncc2)CC1 ZINC000061173256 354623241 /nfs/dbraw/zinc/62/32/41/354623241.db2.gz BHGMZWYMVFQZOX-UHFFFAOYSA-N 0 3 302.309 2.456 20 5 DEBDHN O=C(NCc1cccc([N+](=O)[O-])c1)NC1CCN(C2CC2)CC1 ZINC000067723898 354776285 /nfs/dbraw/zinc/77/62/85/354776285.db2.gz LSFXENGGUQBZOK-UHFFFAOYSA-N 0 3 318.377 2.021 20 5 DEBDHN CCN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@@H]1CCOC1 ZINC000618275936 363443091 /nfs/dbraw/zinc/44/30/91/363443091.db2.gz RZZFBALSUVNTCJ-NSHDSACASA-N 0 3 304.350 2.330 20 5 DEBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000072831021 354923602 /nfs/dbraw/zinc/92/36/02/354923602.db2.gz YSPHWMABEWQLIO-BLLLJJGKSA-N 0 3 303.362 2.258 20 5 DEBDHN CN1CC[C@@H]2[C@@H](CCCN2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000269093387 283094555 /nfs/dbraw/zinc/09/45/55/283094555.db2.gz MBRYJTIWZBCQGC-WCQYABFASA-N 0 3 320.349 2.424 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(N2CCN(C[C@H]3CCOC3)CC2)c1 ZINC000088727960 355517918 /nfs/dbraw/zinc/51/79/18/355517918.db2.gz ZNDGMYRIEIHROQ-CQSZACIVSA-N 0 3 305.378 2.062 20 5 DEBDHN C[C@H](N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@@H]1CN(C)CCO1 ZINC000618572004 363531121 /nfs/dbraw/zinc/53/11/21/363531121.db2.gz FETJJQMBHUQYFB-VUCTXSBTSA-N 0 3 319.405 2.281 20 5 DEBDHN COC1(CO)CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000618550688 363524858 /nfs/dbraw/zinc/52/48/58/363524858.db2.gz AMGQMPGECAMWNS-ZDUSSCGKSA-N 0 3 308.378 2.438 20 5 DEBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@]2(C1)CCCN(C)C2 ZINC000590141927 357521291 /nfs/dbraw/zinc/52/12/91/357521291.db2.gz NJNAOXSYXZPROW-HNNXBMFYSA-N 0 3 307.398 2.042 20 5 DEBDHN CN(CCN1CCCCC1)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000593514828 358094797 /nfs/dbraw/zinc/09/47/97/358094797.db2.gz APLXZHZWFLPQFO-UHFFFAOYSA-N 0 3 315.377 2.460 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCC[C@@]1(O)CCCOC1)CCC2 ZINC000593720947 358130784 /nfs/dbraw/zinc/13/07/84/358130784.db2.gz NHSWYEMNXKADBO-SJORKVTESA-N 0 3 320.389 2.493 20 5 DEBDHN O=C(N[C@H]1CCCN2CCCC[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000594203883 358223642 /nfs/dbraw/zinc/22/36/42/358223642.db2.gz VGISQHJLZOYPMH-LSDHHAIUSA-N 0 3 303.362 2.342 20 5 DEBDHN COc1cc(CNC[C@@H](CO)CC2CC2)c([N+](=O)[O-])cc1OC ZINC000594982383 358373458 /nfs/dbraw/zinc/37/34/58/358373458.db2.gz DNRUWEUSEXPGQN-LBPRGKRZSA-N 0 3 324.377 2.110 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCCO[C@H]1CCOC1 ZINC000595018396 358378287 /nfs/dbraw/zinc/37/82/87/358378287.db2.gz NNHFFYPEKAWNTA-JSGCOSHPSA-N 0 3 324.377 2.450 20 5 DEBDHN NC1(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC2(CCC2)C1 ZINC000595254129 358407155 /nfs/dbraw/zinc/40/71/55/358407155.db2.gz TZHWNLUVWLDQQU-UHFFFAOYSA-N 0 3 301.346 2.146 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC[C@@]1(O)CCCOC1 ZINC000595044850 358383046 /nfs/dbraw/zinc/38/30/46/358383046.db2.gz GJZXUKOJZUFXOB-WBMJQRKESA-N 0 3 324.377 2.186 20 5 DEBDHN O=[N+]([O-])c1ccn(C2CCN(Cc3ccc(O)cc3)CC2)n1 ZINC000618821804 363611013 /nfs/dbraw/zinc/61/10/13/363611013.db2.gz JWFBMPZECQUQJI-UHFFFAOYSA-N 0 3 302.334 2.334 20 5 DEBDHN CC[C@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 ZINC000595765633 358543878 /nfs/dbraw/zinc/54/38/78/358543878.db2.gz NBCGTVOLILGNHW-JTQLQIEISA-N 0 3 321.333 2.040 20 5 DEBDHN CCOc1cc(CN[C@@H]2CCC[C@@H]2C(=O)OC)ccc1[N+](=O)[O-] ZINC000595909545 358577782 /nfs/dbraw/zinc/57/77/82/358577782.db2.gz DDMMEEQPGJWXGB-QWHCGFSZSA-N 0 3 322.361 2.425 20 5 DEBDHN CCOC(=O)c1cc(N[C@@H]2CCN(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000596091118 358608699 /nfs/dbraw/zinc/60/86/99/358608699.db2.gz VKQVXYRAJDWUJD-GFCCVEGCSA-N 0 3 319.361 2.420 20 5 DEBDHN COc1cc(NC[C@H]2CCCN2CCCO)c([N+](=O)[O-])cc1C ZINC000596259758 358654646 /nfs/dbraw/zinc/65/46/46/358654646.db2.gz WHIXJVPYMJHVSD-CYBMUJFWSA-N 0 3 323.393 2.171 20 5 DEBDHN COc1cc(C(=O)N[C@H]2CCN(C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000597925548 359043848 /nfs/dbraw/zinc/04/38/48/359043848.db2.gz XDNOTOYUOOSCOE-LBPRGKRZSA-N 0 3 321.377 2.206 20 5 DEBDHN CC1(C)CC[C@@H](CO)N(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000598649973 359275706 /nfs/dbraw/zinc/27/57/06/359275706.db2.gz VZOXWFHXFSJKEL-AWEZNQCLSA-N 0 3 308.378 2.457 20 5 DEBDHN Cc1cccc(CN2CC[C@@H](Nc3c([N+](=O)[O-])ncn3C)C2)c1 ZINC000601240446 359978464 /nfs/dbraw/zinc/97/84/64/359978464.db2.gz SXYVWWLLVMHKIJ-CQSZACIVSA-N 0 3 315.377 2.323 20 5 DEBDHN Cc1ccc(CN2CC[C@@H](Nc3c([N+](=O)[O-])ncn3C)C2)cc1 ZINC000601249645 359980636 /nfs/dbraw/zinc/98/06/36/359980636.db2.gz DKZFFGPJJNUITR-CQSZACIVSA-N 0 3 315.377 2.323 20 5 DEBDHN CN1CC[C@@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)C[C@@H]2C1 ZINC000601253279 359982382 /nfs/dbraw/zinc/98/23/82/359982382.db2.gz JHKJOOQBUDITPT-MNOVXSKESA-N 0 3 322.340 2.149 20 5 DEBDHN C[C@H]1CN(C2CC2)C[C@H]1NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602568763 360437234 /nfs/dbraw/zinc/43/72/34/360437234.db2.gz MASXPBCHZRFYLO-IINYFYTJSA-N 0 3 316.361 2.308 20 5 DEBDHN C[C@@H]1CN(C2CC2)C[C@H]1NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602568764 360437459 /nfs/dbraw/zinc/43/74/59/360437459.db2.gz MASXPBCHZRFYLO-QMTHXVAHSA-N 0 3 316.361 2.308 20 5 DEBDHN CCOC(=O)c1ccc(CNCCc2ccccc2[N+](=O)[O-])[nH]1 ZINC000602556390 360430841 /nfs/dbraw/zinc/43/08/41/360430841.db2.gz FIFKKMIFDWLLPR-UHFFFAOYSA-N 0 3 317.345 2.432 20 5 DEBDHN CN(CCCN(C)c1cccnc1[N+](=O)[O-])Cc1ccncc1 ZINC000603398894 360816464 /nfs/dbraw/zinc/81/64/64/360816464.db2.gz DBPWVYHUWFXGKL-UHFFFAOYSA-N 0 3 315.377 2.343 20 5 DEBDHN Cn1cnnc1C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000609257821 361293587 /nfs/dbraw/zinc/29/35/87/361293587.db2.gz GSLYWIBKDCTSQB-UHFFFAOYSA-N 0 3 315.377 2.145 20 5 DEBDHN C[C@](CO)(NCCOc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000609483858 361314287 /nfs/dbraw/zinc/31/42/87/361314287.db2.gz LUIASXPHIFLYQY-QGZVFWFLSA-N 0 3 316.357 2.471 20 5 DEBDHN CCCCN(C)CCNC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000609570160 361321600 /nfs/dbraw/zinc/32/16/00/361321600.db2.gz ORQYNXPEXCTJIR-UHFFFAOYSA-N 0 3 308.382 2.098 20 5 DEBDHN C[C@@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)N1CCCC1 ZINC000609875475 361345402 /nfs/dbraw/zinc/34/54/02/361345402.db2.gz SPZCOUKNYUCYKP-JTQLQIEISA-N 0 3 311.769 2.462 20 5 DEBDHN C[C@@]1(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CCCO1 ZINC000610677935 361444411 /nfs/dbraw/zinc/44/44/11/361444411.db2.gz LVBUGZCBJCZWPI-HNNXBMFYSA-N 0 3 308.334 2.025 20 5 DEBDHN O=[N+]([O-])c1cccc(OCCN2CCC3(CCOC3)CC2)c1 ZINC000611177180 361541587 /nfs/dbraw/zinc/54/15/87/361541587.db2.gz BDGRRLKYNWCSRQ-UHFFFAOYSA-N 0 3 306.362 2.476 20 5 DEBDHN COCC1(N(C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000611178924 361541713 /nfs/dbraw/zinc/54/17/13/361541713.db2.gz SYQHHTSLVNTLLI-UHFFFAOYSA-N 0 3 321.377 2.343 20 5 DEBDHN C[C@H]1CN(c2ccsc2[N+](=O)[O-])CC[C@H]1N1CCN(C)CC1 ZINC000611204574 361547182 /nfs/dbraw/zinc/54/71/82/361547182.db2.gz ZOCPBKSLWVCJIM-QWHCGFSZSA-N 0 3 324.450 2.119 20 5 DEBDHN CCN(C[C@@H]1CCOC1)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000611204897 361547979 /nfs/dbraw/zinc/54/79/79/361547979.db2.gz APFFQTUGJZXCFW-OLZOCXBDSA-N 0 3 321.377 2.280 20 5 DEBDHN O=[N+]([O-])c1ccc(CNC[C@H](CO)Cc2ccco2)c(F)c1 ZINC000611498154 361613450 /nfs/dbraw/zinc/61/34/50/361613450.db2.gz UMJPWLCYPBBBOB-LLVKDONJSA-N 0 3 308.309 2.268 20 5 DEBDHN CC[C@@H]1CN(C)CCCN1C(=O)c1cccc([N+](=O)[O-])c1C ZINC000619567016 363827356 /nfs/dbraw/zinc/82/73/56/363827356.db2.gz IKHVVDRAIYOYRD-CYBMUJFWSA-N 0 3 305.378 2.460 20 5 DEBDHN O=C(NCc1ccccc1[N+](=O)[O-])C1CCN(C2CC2)CC1 ZINC000195359409 201383065 /nfs/dbraw/zinc/38/30/65/201383065.db2.gz HQCMYPRMUIEREC-UHFFFAOYSA-N 0 3 303.362 2.085 20 5 DEBDHN O=C1C[C@H](NC/C=C\c2ccccc2[N+](=O)[O-])[C@H]2CCCCN12 ZINC000619749093 363871585 /nfs/dbraw/zinc/87/15/85/363871585.db2.gz ILNKDVCBOJRCDN-VKDHPCIHSA-N 0 3 315.373 2.351 20 5 DEBDHN CC[C@H]1CN(CC)CCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000451734695 243384058 /nfs/dbraw/zinc/38/40/58/243384058.db2.gz CGNYJKMCPVIYKJ-LBPRGKRZSA-N 0 3 317.393 2.387 20 5 DEBDHN CC[C@@H]1CN(CC)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000451734985 243384381 /nfs/dbraw/zinc/38/43/81/243384381.db2.gz XQIYRQJQQSBJFQ-CQSZACIVSA-N 0 3 307.394 2.390 20 5 DEBDHN CCO[C@@H]1C[C@@H](NC/C=C/c2ccccc2[N+](=O)[O-])[C@@H]1OC ZINC000274983207 212056211 /nfs/dbraw/zinc/05/62/11/212056211.db2.gz XWKWORZHVRJNBT-CWFVPTNESA-N 0 3 306.362 2.390 20 5 DEBDHN CCCCOC[C@H](O)CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282461851 217013325 /nfs/dbraw/zinc/01/33/25/217013325.db2.gz MVYLIWWXKVQFGX-MRXNPFEDSA-N 0 3 310.394 2.247 20 5 DEBDHN O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@@H](N2CCCCC2)C1 ZINC000264650475 204053373 /nfs/dbraw/zinc/05/33/73/204053373.db2.gz WZAFVFLPHLYNGP-OAHLLOKOSA-N 0 3 317.389 2.224 20 5 DEBDHN COC(=O)[C@]1(C)CN(Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000282508972 217049675 /nfs/dbraw/zinc/04/96/75/217049675.db2.gz OPEMNDPOKUNCPZ-BDJLRTHQSA-N 0 3 322.361 2.234 20 5 DEBDHN C[C@H](NC(=O)N[C@@H]1CCN(C)[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000454639642 246014363 /nfs/dbraw/zinc/01/43/63/246014363.db2.gz IXSLTOGMKUFPJX-MBNYWOFBSA-N 0 3 320.393 2.438 20 5 DEBDHN Cc1cc(N2CCN(C[C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000267440315 206068293 /nfs/dbraw/zinc/06/82/93/206068293.db2.gz YNXHDPQUIRDJQW-AWEZNQCLSA-N 0 3 305.378 2.062 20 5 DEBDHN C[C@@H](NC(=O)/C=C\c1cccc([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000492542669 249085490 /nfs/dbraw/zinc/08/54/90/249085490.db2.gz ZCDSDJDPWUKTOY-FMFIFOJESA-N 0 3 315.373 2.375 20 5 DEBDHN CCOC(=O)[C@H](C)[C@@H](C)NCCOc1ccccc1[N+](=O)[O-] ZINC000273993405 211250394 /nfs/dbraw/zinc/25/03/94/211250394.db2.gz JXJJXKZSFKPPPA-VXGBXAGGSA-N 0 3 310.350 2.151 20 5 DEBDHN O=[N+]([O-])c1ccccc1C[C@H](NC[C@@H](O)C(F)(F)F)C1CC1 ZINC000268889721 207058732 /nfs/dbraw/zinc/05/87/32/207058732.db2.gz ZTKUVSWVFYINDD-WCQYABFASA-N 0 3 318.295 2.429 20 5 DEBDHN C[C@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000119850056 195049184 /nfs/dbraw/zinc/04/91/84/195049184.db2.gz UIGOTDIHGKNQPF-JQWIXIFHSA-N 0 3 304.350 2.342 20 5 DEBDHN O=[N+]([O-])c1ccccc1CNC1CCN(c2cnccn2)CC1 ZINC000540188740 285112197 /nfs/dbraw/zinc/11/21/97/285112197.db2.gz LGNBLRPUNHBYHN-UHFFFAOYSA-N 0 3 313.361 2.143 20 5 DEBDHN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)C1=CCN(C)CC1 ZINC000272932108 210317973 /nfs/dbraw/zinc/31/79/73/210317973.db2.gz LENNFUDFABWXMS-SNVBAGLBSA-N 0 3 307.325 2.114 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000156070741 197084097 /nfs/dbraw/zinc/08/40/97/197084097.db2.gz UERYLDGPIIGQAX-CQSZACIVSA-N 0 3 316.361 2.381 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)NC1(C2CC2)CC1 ZINC000542527434 285231653 /nfs/dbraw/zinc/23/16/53/285231653.db2.gz UQYQHUCCTJSLLK-SNVBAGLBSA-N 0 3 319.361 2.463 20 5 DEBDHN COC[C@@H](N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000542527265 285231757 /nfs/dbraw/zinc/23/17/57/285231757.db2.gz WOEVYLIOETWOPJ-WCQYABFASA-N 0 3 309.366 2.182 20 5 DEBDHN COC[C@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C(C)C ZINC000543455215 285288579 /nfs/dbraw/zinc/28/85/79/285288579.db2.gz UYJGFILRHYITQC-FZMZJTMJSA-N 0 3 309.366 2.182 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H](C1CC1)C(C)(C)CO ZINC000292952054 533222671 /nfs/dbraw/zinc/22/26/71/533222671.db2.gz FAVIMOJRRXFPIK-OAHLLOKOSA-N 0 3 308.378 2.490 20 5 DEBDHN C[C@@H](N[C@H]1CCCN(CCCO)C1)c1cccc([N+](=O)[O-])c1 ZINC000297440035 533542792 /nfs/dbraw/zinc/54/27/92/533542792.db2.gz WBZRNBGGTRUSSB-HIFRSBDPSA-N 0 3 307.394 2.092 20 5 DEBDHN CC(C)CN(CCN(C)C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000355342201 133019276 /nfs/dbraw/zinc/01/92/76/133019276.db2.gz PODLGOINLDVJJA-UHFFFAOYSA-N 0 3 307.394 2.184 20 5 DEBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000356263168 133075748 /nfs/dbraw/zinc/07/57/48/133075748.db2.gz GKAQSPFSGRBVQC-IAQYHMDHSA-N 0 3 321.352 2.433 20 5 DEBDHN C[C@H]1C[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000357412951 133076321 /nfs/dbraw/zinc/07/63/21/133076321.db2.gz KXTZSFIVPGMNNJ-GXTWGEPZSA-N 0 3 319.405 2.471 20 5 DEBDHN COCCO[C@@H]1COCC[C@@H]1N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000362698223 133246028 /nfs/dbraw/zinc/24/60/28/133246028.db2.gz HTIDAJCGILINGC-VBNZEHGJSA-N 0 3 324.377 2.066 20 5 DEBDHN O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@@H](N2CCCC2)C1 ZINC000362889663 133257523 /nfs/dbraw/zinc/25/75/23/133257523.db2.gz UJXNMMSAVRHEMD-GFCCVEGCSA-N 0 3 309.391 2.357 20 5 DEBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC([C@@H]3CCOC3)CC2)c1 ZINC000376338814 133291016 /nfs/dbraw/zinc/29/10/16/133291016.db2.gz FHRVOVAERQJXOM-WBVHZDCISA-N 0 3 320.389 2.377 20 5 DEBDHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2CCOc1ccccc1[N+](=O)[O-] ZINC000377401927 133329022 /nfs/dbraw/zinc/32/90/22/133329022.db2.gz PZTPZMWEFPTJFF-AVVLXZEZSA-N 0 3 318.373 2.329 20 5 DEBDHN CCN1CCCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000377594501 133336481 /nfs/dbraw/zinc/33/64/81/133336481.db2.gz FAXTZTJQSFJLNO-BQYQJAHWSA-N 0 3 303.362 2.162 20 5 DEBDHN NC(=O)C[C@@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255293830 145204031 /nfs/dbraw/zinc/20/40/31/145204031.db2.gz YJPUCYYIQWQACS-IRBQFCFKSA-N 0 3 303.362 2.195 20 5 DEBDHN CCCc1[n-]nc(-c2nc(C3([NH3+])CCCC3)no2)c1[N+](=O)[O-] ZINC000261679713 145216163 /nfs/dbraw/zinc/21/61/63/145216163.db2.gz GTUQRNPCYXJVNS-UHFFFAOYSA-N 0 3 306.326 2.048 20 5 DEBDHN Nc1cccc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000261748539 145222957 /nfs/dbraw/zinc/22/29/57/145222957.db2.gz VWGCKXWEWBIYQB-AWEZNQCLSA-N 0 3 313.361 2.258 20 5 DEBDHN O=[N+]([O-])c1ccc(CN2CCNC[C@@H]2c2ccncc2)c(F)c1 ZINC000261981828 145249256 /nfs/dbraw/zinc/24/92/56/145249256.db2.gz JGXXPBCKZMETHU-MRXNPFEDSA-N 0 3 316.336 2.275 20 5 DEBDHN Cc1cc(OC[C@H](O)CN(C)C2CC2)c(Cl)cc1[N+](=O)[O-] ZINC000315417463 145360119 /nfs/dbraw/zinc/36/01/19/145360119.db2.gz VDMZDCFBRQNQJD-LLVKDONJSA-N 0 3 314.769 2.391 20 5 DEBDHN CCCN1CCC[C@@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000349119457 146352693 /nfs/dbraw/zinc/35/26/93/146352693.db2.gz PWYUWABTKGVWOA-OAHLLOKOSA-N 0 3 305.378 2.128 20 5 DEBDHN C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)N1CCCC[C@H]1C ZINC000344988438 404486533 /nfs/dbraw/zinc/48/65/33/404486533.db2.gz NKXWBFCGXHHQOY-NEPJUHHUSA-N 0 3 320.393 2.170 20 5 DEBDHN Cc1ccc(CN[C@H]2CC(=O)N3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000370288313 148003662 /nfs/dbraw/zinc/00/36/62/148003662.db2.gz MOROBPDUKKQUPF-UONOGXRCSA-N 0 3 303.362 2.146 20 5 DEBDHN Cc1ccc([C@H](C)N[C@@H](C)CCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000127249296 401725990 /nfs/dbraw/zinc/72/59/90/401725990.db2.gz MPEKKLWRDCVTPD-RYUDHWBXSA-N 0 3 314.407 2.377 20 5 DEBDHN CC[C@@H](N[C@H](C)CCS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000127360784 401730922 /nfs/dbraw/zinc/73/09/22/401730922.db2.gz QBZZBMHOOACSPS-BXUZGUMPSA-N 0 3 314.407 2.459 20 5 DEBDHN CCN1CCCC[C@H]1CNC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000111635887 401719082 /nfs/dbraw/zinc/71/90/82/401719082.db2.gz DUMBKBHKWFOJTL-LBPRGKRZSA-N 0 3 320.393 2.090 20 5 DEBDHN COCCOC1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000116885435 401863263 /nfs/dbraw/zinc/86/32/63/401863263.db2.gz AEWCOWKERSMKGN-UHFFFAOYSA-N 0 3 324.377 2.101 20 5 DEBDHN CC[C@@H](NC[C@@H](O)COCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000129969367 401813781 /nfs/dbraw/zinc/81/37/81/401813781.db2.gz OSISICPATABIHZ-HZPDHXFCSA-N 0 3 308.378 2.423 20 5 DEBDHN CS(=O)(=O)[C@H]1CCC[C@H](NCc2cccc([N+](=O)[O-])c2)C1 ZINC000077458223 401816342 /nfs/dbraw/zinc/81/63/42/401816342.db2.gz OHRUUEZAUNXDRN-JSGCOSHPSA-N 0 3 312.391 2.040 20 5 DEBDHN CC[C@@H](c1ccncc1)N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000092225149 402003439 /nfs/dbraw/zinc/00/34/39/402003439.db2.gz NVYLWFMCORAJJX-HNNXBMFYSA-N 0 3 316.361 2.235 20 5 DEBDHN C[C@H](CC[S@](C)=O)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000125475647 402235063 /nfs/dbraw/zinc/23/50/63/402235063.db2.gz JGZOFGHLNHVCMF-AYLIAGHASA-N 0 3 304.799 2.495 20 5 DEBDHN CCO[C@H]1CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000156073846 402275998 /nfs/dbraw/zinc/27/59/98/402275998.db2.gz OKKLXYYCMJZBHT-ZDUSSCGKSA-N 0 3 321.377 2.424 20 5 DEBDHN CCN(CCn1ccc([N+](=O)[O-])n1)Cc1ccc2c(c1)OCO2 ZINC000176201840 402290043 /nfs/dbraw/zinc/29/00/43/402290043.db2.gz FVKXGLVVEXPGPT-UHFFFAOYSA-N 0 3 318.333 2.042 20 5 DEBDHN O=[N+]([O-])c1ccc(Cl)cc1CNCCN1CCSCC1 ZINC000218989540 402296976 /nfs/dbraw/zinc/29/69/76/402296976.db2.gz UPOWHAQWMBCWDZ-UHFFFAOYSA-N 0 3 315.826 2.387 20 5 DEBDHN COCC1=CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000185837660 402381678 /nfs/dbraw/zinc/38/16/78/402381678.db2.gz BBVBWPJAWVYPEH-UHFFFAOYSA-N 0 3 319.361 2.202 20 5 DEBDHN C[C@@H]1C[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000177639780 402422561 /nfs/dbraw/zinc/42/25/61/402422561.db2.gz HPUDGQKIFYRRNU-PWSUYJOCSA-N 0 3 304.350 2.342 20 5 DEBDHN COc1ccc(OCCN2CCC(C)(CO)CC2)c([N+](=O)[O-])c1 ZINC000186950197 402473452 /nfs/dbraw/zinc/47/34/52/402473452.db2.gz ISYLGXQMEIHDQQ-UHFFFAOYSA-N 0 3 324.377 2.077 20 5 DEBDHN CCN1CCC[C@@H]1CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000245668906 402477946 /nfs/dbraw/zinc/47/79/46/402477946.db2.gz FDBTYSSZZQYQCB-IUODEOHRSA-N 0 3 320.393 2.439 20 5 DEBDHN COc1cc(C(=O)N(C)CCN(C)C2CC2)cc([N+](=O)[O-])c1C ZINC000190341666 402593701 /nfs/dbraw/zinc/59/37/01/402593701.db2.gz XIQXBRJOYMBDAA-UHFFFAOYSA-N 0 3 321.377 2.078 20 5 DEBDHN C[C@@H]1C[C@H](NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000255396612 402686576 /nfs/dbraw/zinc/68/65/76/402686576.db2.gz MKVZFLGFECSSIO-HPFKKHKDSA-N 0 3 315.373 2.349 20 5 DEBDHN Cc1c([C@@H](C)NCCOc2ccccc2[N+](=O)[O-])cnn1C ZINC000183381485 402762176 /nfs/dbraw/zinc/76/21/76/402762176.db2.gz JTTDJULZBGBVQM-LLVKDONJSA-N 0 3 304.350 2.366 20 5 DEBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCNC(C)(C)C1 ZINC000175424526 402805789 /nfs/dbraw/zinc/80/57/89/402805789.db2.gz NSSOWQFAZTVULB-LLVKDONJSA-N 0 3 323.418 2.286 20 5 DEBDHN COC[C@H](NC/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000278787103 402871107 /nfs/dbraw/zinc/87/11/07/402871107.db2.gz ZWLUTZUMFYRDGO-ODINRWKCSA-N 0 3 306.362 2.392 20 5 DEBDHN C[C@@H](NC(=O)NCC1=CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000272112054 402898690 /nfs/dbraw/zinc/89/86/90/402898690.db2.gz QYPRMQHFNIVLNG-GFCCVEGCSA-N 0 3 318.377 2.217 20 5 DEBDHN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCCN(C2CCCC2)CC1 ZINC000265736957 402944418 /nfs/dbraw/zinc/94/44/18/402944418.db2.gz SXOZLTZUZXCYRG-UHFFFAOYSA-N 0 3 306.366 2.013 20 5 DEBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](CN2CCOCC2)C1 ZINC000266760023 402989135 /nfs/dbraw/zinc/98/91/35/402989135.db2.gz SWDCMFBCHNMHIC-GJZGRUSLSA-N 0 3 319.405 2.310 20 5 DEBDHN Cc1ccc([C@@H](C)NC(=O)NCCN(C)C2CC2)cc1[N+](=O)[O-] ZINC000268089701 403047844 /nfs/dbraw/zinc/04/78/44/403047844.db2.gz ZZTWODDCSBGSET-GFCCVEGCSA-N 0 3 320.393 2.358 20 5 DEBDHN COc1cc(N[C@H](C)CCN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000274524124 403064039 /nfs/dbraw/zinc/06/40/39/403064039.db2.gz XECYNVDZMDQJEF-CYBMUJFWSA-N 0 3 322.409 2.041 20 5 DEBDHN COc1ccc(NC(=O)N(C)CCN(C)C2CC2)cc1[N+](=O)[O-] ZINC000274802613 403089600 /nfs/dbraw/zinc/08/96/00/403089600.db2.gz KSYHWOUAGNIQGX-UHFFFAOYSA-N 0 3 322.365 2.161 20 5 DEBDHN Cc1cc(NC(=O)NCC2=CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000274859237 403094782 /nfs/dbraw/zinc/09/47/82/403094782.db2.gz YRPCVJYGMVODKE-UHFFFAOYSA-N 0 3 304.350 2.287 20 5 DEBDHN C[C@@H](NCCN(C)CC(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284018758 403238925 /nfs/dbraw/zinc/23/89/25/403238925.db2.gz IQHTYLSYIGWWOD-SECBINFHSA-N 0 3 320.315 2.322 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NCCN1CCC[C@@H](C)C1 ZINC000277592370 403234509 /nfs/dbraw/zinc/23/45/09/403234509.db2.gz NPNMURCGZYIJNE-GFCCVEGCSA-N 0 3 321.377 2.065 20 5 DEBDHN CS[C@@H]1CN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000270433644 403191269 /nfs/dbraw/zinc/19/12/69/403191269.db2.gz GLGLZIYGOIMJBG-UONOGXRCSA-N 0 3 323.418 2.021 20 5 DEBDHN CC[C@H](CO)N(CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000342647788 403295280 /nfs/dbraw/zinc/29/52/80/403295280.db2.gz UVOOCSMXRAQKMF-OAHLLOKOSA-N 0 3 318.377 2.064 20 5 DEBDHN CS[C@@H]1CN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000270970192 403246828 /nfs/dbraw/zinc/24/68/28/403246828.db2.gz BQGSUOOKAJOBNK-UONOGXRCSA-N 0 3 323.418 2.021 20 5 DEBDHN COc1cc(CN[C@@H]2CCO[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000271218839 403281020 /nfs/dbraw/zinc/28/10/20/403281020.db2.gz FOBYFOYPGGWNKD-CMPLNLGQSA-N 0 3 310.350 2.269 20 5 DEBDHN CC(C)c1ccc(CNC[C@]2(O)CCO[C@@H]2C)cc1[N+](=O)[O-] ZINC000331205235 403352020 /nfs/dbraw/zinc/35/20/20/403352020.db2.gz SKACFWBNAXZVGA-MLGOLLRUSA-N 0 3 308.378 2.348 20 5 DEBDHN CC(C)[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000293218933 403418588 /nfs/dbraw/zinc/41/85/88/403418588.db2.gz RPXHQIDXYWTXCG-CVEARBPZSA-N 0 3 308.378 2.375 20 5 DEBDHN CNC(=O)CC[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000286438985 403527421 /nfs/dbraw/zinc/52/74/21/403527421.db2.gz LOSDWTPOMUHADO-AWEZNQCLSA-N 0 3 305.378 2.476 20 5 DEBDHN C[C@H]1CN(C2CC2)C[C@H]1Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000287932352 403694555 /nfs/dbraw/zinc/69/45/55/403694555.db2.gz QZELPTHOEOMDPB-GZMMTYOYSA-N 0 3 319.390 2.494 20 5 DEBDHN CC1(C)CCCN(CCNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000347420097 403702960 /nfs/dbraw/zinc/70/29/60/403702960.db2.gz PJTXMIOZCGSCDX-UHFFFAOYSA-N 0 3 319.405 2.376 20 5 DEBDHN CCOc1cc(N2CC[C@H](N3CC=CC3)C2)ccc1[N+](=O)[O-] ZINC000301569860 403649634 /nfs/dbraw/zinc/64/96/34/403649634.db2.gz KQDWPCSLMXILPK-AWEZNQCLSA-N 0 3 303.362 2.444 20 5 DEBDHN CN(C(=O)C(C)(C)c1ccccc1[N+](=O)[O-])[C@@H]1CCCN(C)C1 ZINC000340698563 403650932 /nfs/dbraw/zinc/65/09/32/403650932.db2.gz WRSNOZCZOVESIK-CYBMUJFWSA-N 0 3 319.405 2.425 20 5 DEBDHN C[C@@H]1C[C@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CCN1C ZINC000341195828 403820838 /nfs/dbraw/zinc/82/08/38/403820838.db2.gz IJLVEKQLFNFPCF-TZMCWYRMSA-N 0 3 320.393 2.219 20 5 DEBDHN CC(=O)c1ccc(NCCCN(C)CCN(C)C)c([N+](=O)[O-])c1 ZINC000288820742 403775193 /nfs/dbraw/zinc/77/51/93/403775193.db2.gz HLGVACUXXIPHIX-UHFFFAOYSA-N 0 3 322.409 2.093 20 5 DEBDHN CC(=O)NCC[C@@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000347648527 403791348 /nfs/dbraw/zinc/79/13/48/403791348.db2.gz IMKSGFFMIGEQHD-AWEZNQCLSA-N 0 3 305.378 2.333 20 5 DEBDHN COc1cc(C[NH2+]C[C@@H]2CCC[C@H]2OC)c([N+](=O)[O-])cc1[O-] ZINC000341271765 403878386 /nfs/dbraw/zinc/87/83/86/403878386.db2.gz VZSXWBVDNAAXTD-IINYFYTJSA-N 0 3 310.350 2.214 20 5 DEBDHN C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CCN(C2CC2)C1 ZINC000295472393 403945140 /nfs/dbraw/zinc/94/51/40/403945140.db2.gz DELJVIQZXZSKQJ-CYBMUJFWSA-N 0 3 317.389 2.080 20 5 DEBDHN Cc1nnc([C@H]2CCN(Cc3ccc([N+](=O)[O-])cc3F)C2)[nH]1 ZINC000412049911 404089721 /nfs/dbraw/zinc/08/97/21/404089721.db2.gz ZBPSSTONQAJONM-NSHDSACASA-N 0 3 305.313 2.150 20 5 DEBDHN CCc1nnc(CN[C@H](C)CCc2ccccc2[N+](=O)[O-])[nH]1 ZINC000296109266 404098712 /nfs/dbraw/zinc/09/87/12/404098712.db2.gz SHYWDPUTJDITCQ-LLVKDONJSA-N 0 3 303.366 2.386 20 5 DEBDHN CCc1nnc(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])[n-]1 ZINC000296109266 404098721 /nfs/dbraw/zinc/09/87/21/404098721.db2.gz SHYWDPUTJDITCQ-LLVKDONJSA-N 0 3 303.366 2.386 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](c2nc(C)n[nH]2)C1 ZINC000412028451 404066435 /nfs/dbraw/zinc/06/64/35/404066435.db2.gz MVIJMDSQBWAWPQ-LLVKDONJSA-N 0 3 317.349 2.019 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](c2n[nH]c(C)n2)C1 ZINC000412028451 404066445 /nfs/dbraw/zinc/06/64/45/404066445.db2.gz MVIJMDSQBWAWPQ-LLVKDONJSA-N 0 3 317.349 2.019 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](c2nnc(C)[nH]2)C1 ZINC000412028451 404066451 /nfs/dbraw/zinc/06/64/51/404066451.db2.gz MVIJMDSQBWAWPQ-LLVKDONJSA-N 0 3 317.349 2.019 20 5 DEBDHN CCN1CCC(NC(=O)CSc2cccc([N+](=O)[O-])c2)CC1 ZINC000337905515 404304824 /nfs/dbraw/zinc/30/48/24/404304824.db2.gz BKXHBRCATCXQFM-UHFFFAOYSA-N 0 3 323.418 2.287 20 5 DEBDHN COc1ccc(CN[C@@H](C)Cc2cnn(C)c2)cc1[N+](=O)[O-] ZINC000350483303 404399719 /nfs/dbraw/zinc/39/97/19/404399719.db2.gz UIADPAVASBRXRJ-NSHDSACASA-N 0 3 304.350 2.058 20 5 DEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCCNC(=O)C(C)C ZINC000344841826 404400449 /nfs/dbraw/zinc/40/04/49/404400449.db2.gz DTEBRPWTUJUQCX-UKTHLTGXSA-N 0 3 305.378 2.360 20 5 DEBDHN CN1CC[C@@]2(CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000291773523 404514201 /nfs/dbraw/zinc/51/42/01/404514201.db2.gz MYIQHXFDLZTANV-OAHLLOKOSA-N 0 3 304.350 2.154 20 5 DEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@@H]1CC(=O)N(C2CC2)C1 ZINC000345045524 404515298 /nfs/dbraw/zinc/51/52/98/404515298.db2.gz VODRIMSXGBMTNI-YRBHFNIASA-N 0 3 315.373 2.351 20 5 DEBDHN COC(=O)COc1ccc(CN[C@@H]2CCC2(C)C)cc1[N+](=O)[O-] ZINC000342245947 404464815 /nfs/dbraw/zinc/46/48/15/404464815.db2.gz ZPVLYONZBUHNCV-CQSZACIVSA-N 0 3 322.361 2.425 20 5 DEBDHN COc1ccc(NC(=O)N[C@@H]2CCCN(C)[C@H]2C)cc1[N+](=O)[O-] ZINC000345118291 404559341 /nfs/dbraw/zinc/55/93/41/404559341.db2.gz VZAHGEBALBVXBH-CMPLNLGQSA-N 0 3 322.365 2.208 20 5 DEBDHN C[C@H]1CSC[C@@H]1NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000352816573 404643768 /nfs/dbraw/zinc/64/37/68/404643768.db2.gz OUJQOCAWECOQEC-ZANVPECISA-N 0 3 310.375 2.302 20 5 DEBDHN C[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc2n[nH]cc2c1 ZINC000353289381 404793315 /nfs/dbraw/zinc/79/33/15/404793315.db2.gz ULCDAZPHCZRLGD-SNVBAGLBSA-N 0 3 300.322 2.018 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000415292062 404841223 /nfs/dbraw/zinc/84/12/23/404841223.db2.gz HDDQELDAGGOFHM-MNOVXSKESA-N 0 3 306.366 2.426 20 5 DEBDHN CCc1ccccc1[C@H](N)CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000423973829 404954996 /nfs/dbraw/zinc/95/49/96/404954996.db2.gz KIMHAVOYLRPPJM-GFCCVEGCSA-N 0 3 303.318 2.180 20 5 DEBDHN CC(C)c1ccc(CNC[C@@H]2CC[C@H](CO)O2)cc1[N+](=O)[O-] ZINC000353693645 404924528 /nfs/dbraw/zinc/92/45/28/404924528.db2.gz XLRSWIYWUAMIRX-UONOGXRCSA-N 0 3 308.378 2.348 20 5 DEBDHN Cc1c([C@@H](C)NCCN2CCOC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000361125766 404932426 /nfs/dbraw/zinc/93/24/26/404932426.db2.gz KLEPUCXPRDKITK-GXTWGEPZSA-N 0 3 307.394 2.275 20 5 DEBDHN COC[C@@]1(CO)CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000451925649 405095939 /nfs/dbraw/zinc/09/59/39/405095939.db2.gz GJIMWUFUJCYBAF-CJNGLKHVSA-N 0 3 308.378 2.295 20 5 DEBDHN CCO[C@@H]1CCC[C@H]1NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000452012224 405127939 /nfs/dbraw/zinc/12/79/39/405127939.db2.gz HYBUBZVUPCLNFQ-HUUCEWRRSA-N 0 3 321.377 2.105 20 5 DEBDHN CCO[C@@H]1CCC[C@H]1N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000452018830 405128696 /nfs/dbraw/zinc/12/86/96/405128696.db2.gz RAOGAFUDCSPQSE-KCPJHIHWSA-N 0 3 321.377 2.469 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)C1(OC)CCOCC1 ZINC000453107159 405284893 /nfs/dbraw/zinc/28/48/93/405284893.db2.gz KEZSHVCOEYDXPX-GFCCVEGCSA-N 0 3 324.377 2.277 20 5 DEBDHN CO[C@@H]1C[C@H](N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000439622374 405287051 /nfs/dbraw/zinc/28/70/51/405287051.db2.gz FRIGVJJRSIFCFD-LEWSCRJBSA-N 0 3 321.377 2.325 20 5 DEBDHN C[C@@]1(F)CNCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000420330756 405322018 /nfs/dbraw/zinc/32/20/18/405322018.db2.gz LVLYPLVLDDZZBH-CYBMUJFWSA-N 0 3 301.749 2.382 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)C[C@H]1CCCN1C ZINC000421088691 405445944 /nfs/dbraw/zinc/44/59/44/405445944.db2.gz DGMLTOWFWCJPOA-GFCCVEGCSA-N 0 3 322.365 2.161 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000421501917 405521841 /nfs/dbraw/zinc/52/18/41/405521841.db2.gz DMXIOIQWIIBNRA-GXTWGEPZSA-N 0 3 305.378 2.424 20 5 DEBDHN COC[C@H](N[C@@H](C)Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000449292836 405523882 /nfs/dbraw/zinc/52/38/82/405523882.db2.gz RWPDPXJRNNLMHO-NOLJZWGESA-N 0 3 308.378 2.309 20 5 DEBDHN CCOc1ccc([C@H](C)NCCN2CCCC2=O)cc1[N+](=O)[O-] ZINC000568641183 292356770 /nfs/dbraw/zinc/35/67/70/292356770.db2.gz GBNZCSIZIJHSPT-LBPRGKRZSA-N 0 3 321.377 2.267 20 5 DEBDHN Cc1nc(N(CCN(C)C)Cc2ccccn2)ccc1[N+](=O)[O-] ZINC000433423393 405944384 /nfs/dbraw/zinc/94/43/84/405944384.db2.gz JDUADZWXRUTLPQ-UHFFFAOYSA-N 0 3 315.377 2.261 20 5 DEBDHN COC(=O)c1cnc(NCCN2CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000450951461 405998642 /nfs/dbraw/zinc/99/86/42/405998642.db2.gz PXBZUXGDIXATHJ-UHFFFAOYSA-N 0 3 322.365 2.063 20 5 DEBDHN CC(C)CN1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000532690993 406094034 /nfs/dbraw/zinc/09/40/34/406094034.db2.gz SZDMTXDSLQEWCZ-ZDUSSCGKSA-N 0 3 322.409 2.174 20 5 DEBDHN CCc1ccc(C(=O)N(C)CCN2CCCC2)cc1[N+](=O)[O-] ZINC000471876904 406127325 /nfs/dbraw/zinc/12/73/25/406127325.db2.gz ZOGVGEBLMPHJJM-UHFFFAOYSA-N 0 3 305.378 2.325 20 5 DEBDHN CC[C@H]1CN(CCNCc2ccc(C)c([N+](=O)[O-])c2)CCO1 ZINC000487159176 406209832 /nfs/dbraw/zinc/20/98/32/406209832.db2.gz MZWDCTOLVWRUFB-HNNXBMFYSA-N 0 3 307.394 2.104 20 5 DEBDHN Cc1cc(N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000488711253 406340004 /nfs/dbraw/zinc/34/00/04/406340004.db2.gz HMLOYISLUXJHRF-YRGRVCCFSA-N 0 3 304.394 2.465 20 5 DEBDHN CCN1CCCN(c2ccc([N+](=O)[O-])c(OC(C)C)n2)CC1 ZINC000569139915 292393546 /nfs/dbraw/zinc/39/35/46/292393546.db2.gz YWHLJXSSTUDXTI-UHFFFAOYSA-N 0 3 308.382 2.309 20 5 DEBDHN CCN1CCC(NC(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000491062270 406524219 /nfs/dbraw/zinc/52/42/19/406524219.db2.gz WOMNDLXVCOVONH-FPLPWBNLSA-N 0 3 303.362 2.209 20 5 DEBDHN Cc1ccnc(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000572595453 406697381 /nfs/dbraw/zinc/69/73/81/406697381.db2.gz FICRVPXUNSILDR-UHFFFAOYSA-N 0 3 314.345 2.417 20 5 DEBDHN C[C@@H]1CCN(C)CCN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000491891014 406765726 /nfs/dbraw/zinc/76/57/26/406765726.db2.gz YJZXUEIEBMVFCD-KTRBRXNASA-N 0 3 303.362 2.161 20 5 DEBDHN CCOC(=O)c1ccnc(NC2CCN(CC)CC2)c1[N+](=O)[O-] ZINC000133195131 196320264 /nfs/dbraw/zinc/32/02/64/196320264.db2.gz AYZZODSQWDIBRP-UHFFFAOYSA-N 0 3 322.365 2.063 20 5 DEBDHN C[C@H]1C[C@@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])CN1C1CC1 ZINC000134490105 196396714 /nfs/dbraw/zinc/39/67/14/196396714.db2.gz YVGRAVXEQPXPBB-GXSJLCMTSA-N 0 3 307.325 2.089 20 5 DEBDHN COCC1(CNCc2csc([N+](=O)[O-])c2)CCOCC1 ZINC000291671722 222545592 /nfs/dbraw/zinc/54/55/92/222545592.db2.gz GQDCMICSNTWTON-UHFFFAOYSA-N 0 3 300.380 2.189 20 5 DEBDHN CN(C)C(=O)CCN[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417340081 229011734 /nfs/dbraw/zinc/01/17/34/229011734.db2.gz LXKIQFXLLIHLNX-OAHLLOKOSA-N 0 3 305.378 2.430 20 5 DEBDHN CC(C)Oc1nc(N[C@@H]2CCN(C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000570107391 424925813 /nfs/dbraw/zinc/92/58/13/424925813.db2.gz UZMHAUJLJSJMCK-VXGBXAGGSA-N 0 3 308.382 2.672 20 5 DEBDHN CCN1CCC[C@H]1CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352362182 425045380 /nfs/dbraw/zinc/04/53/80/425045380.db2.gz UVUBZJDWAVHRSU-ZDUSSCGKSA-N 0 3 300.362 3.039 20 5 DEBDHN C[C@@H](C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2)c1cccc([N+](=O)[O-])c1 ZINC000515309998 269348777 /nfs/dbraw/zinc/34/87/77/269348777.db2.gz NQZCIRMBPRILJE-IVMMDQJWSA-N 0 3 317.389 2.393 20 5 DEBDHN C[C@@H](C(=O)N1CCC[C@@H](N(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000518274139 269397859 /nfs/dbraw/zinc/39/78/59/269397859.db2.gz JSQPHUIEZPKBGJ-IUODEOHRSA-N 0 3 305.378 2.251 20 5 DEBDHN C[C@@H]1CN(C)CC[C@H]1N(C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000267728917 274335543 /nfs/dbraw/zinc/33/55/43/274335543.db2.gz UJXQDTRGMCGSJH-ZYHUDNBSSA-N 0 3 308.338 2.279 20 5 DEBDHN C[C@@H]1CN(C2CC2)C[C@H]1Nc1nc2sccn2c1[N+](=O)[O-] ZINC000268165475 274344343 /nfs/dbraw/zinc/34/43/43/274344343.db2.gz PODZDIFKZPONQD-PSASIEDQSA-N 0 3 307.379 2.199 20 5 DEBDHN O=[N+]([O-])c1ccc(N2CC[C@H](N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000072089576 275036852 /nfs/dbraw/zinc/03/68/52/275036852.db2.gz IPBYZCCYMLNOPB-LBPRGKRZSA-N 0 3 306.322 2.178 20 5 DEBDHN CCO[C@@H]1COCC[C@H]1NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000353153048 276341295 /nfs/dbraw/zinc/34/12/95/276341295.db2.gz PZQGHQCBVMLWPM-QAOXIVLQSA-N 0 3 306.362 2.392 20 5 DEBDHN C[C@H](N[C@H]1CCC(=O)N[C@@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000340614503 278280409 /nfs/dbraw/zinc/28/04/09/278280409.db2.gz NKDMBAKIVOMQNQ-JMPLFQLZSA-N 0 3 303.362 2.303 20 5 DEBDHN C[C@@H]1NCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@H]1C ZINC000277484150 279037330 /nfs/dbraw/zinc/03/73/30/279037330.db2.gz MRDMYAZTACMXQC-UWVGGRQHSA-N 0 3 303.318 2.163 20 5 DEBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000055400535 279309303 /nfs/dbraw/zinc/30/93/03/279309303.db2.gz HGGMCJZNMJQKHS-CHWSQXEVSA-N 0 3 305.378 2.445 20 5 DEBDHN Cc1cc(C(=O)N2CCC[C@H]3CN(C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000157027769 280327890 /nfs/dbraw/zinc/32/78/90/280327890.db2.gz DMUUWAMVFUIZTH-GOEBONIOSA-N 0 3 317.389 2.460 20 5 DEBDHN COC[C@@H](CCO)N[C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417303048 292808226 /nfs/dbraw/zinc/80/82/26/292808226.db2.gz DBNWFEVDJYBLFQ-CJNGLKHVSA-N 0 3 308.378 2.349 20 5 DEBDHN C[C@@H]1C[C@@H](C)CN(CCn2cc([N+](=O)[O-])cc(Cl)c2=O)C1 ZINC000576479613 326297025 /nfs/dbraw/zinc/29/70/25/326297025.db2.gz HDLPQVWAEQFFMM-GHMZBOCLSA-N 0 3 313.785 2.388 20 5 DEBDHN O=[N+]([O-])c1ccccc1N1CCN(C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000577335713 326357492 /nfs/dbraw/zinc/35/74/92/326357492.db2.gz RDYSUDOKYNRONO-YOEHRIQHSA-N 0 3 319.405 2.268 20 5 DEBDHN CN(CCC(=O)N1CCCCC1)CCc1cccc([N+](=O)[O-])c1 ZINC000338354639 522673199 /nfs/dbraw/zinc/67/31/99/522673199.db2.gz ZRUGTZVRXZRGHC-UHFFFAOYSA-N 0 3 319.405 2.472 20 5 DEBDHN NC(=O)c1ccc(CN2CCC[C@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000245439842 527045291 /nfs/dbraw/zinc/04/52/91/527045291.db2.gz GBKJSJPTAONRIB-BXUZGUMPSA-N 0 3 303.362 2.458 20 5 DEBDHN CCN1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411233908 529104230 /nfs/dbraw/zinc/10/42/30/529104230.db2.gz ZCRNQZYUGKETJV-HRCADAONSA-N 0 3 317.389 2.299 20 5 DEBDHN CN(C)CCN(Cc1ccsc1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000458198290 535870456 /nfs/dbraw/zinc/87/04/56/535870456.db2.gz HHEAHOMCUFKKMK-UHFFFAOYSA-N 0 3 322.390 2.188 20 5 DEBDHN CC[C@H]1CC[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000348365553 536099446 /nfs/dbraw/zinc/09/94/46/536099446.db2.gz BYUXACCMIKKRRG-SMDDNHRTSA-N 0 3 312.391 2.147 20 5 DEBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000247321859 536472765 /nfs/dbraw/zinc/47/27/65/536472765.db2.gz SNDCKYJXGBDEBB-XHDPSFHLSA-N 0 3 321.352 2.290 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@]1(C)CN2CCC1CC2 ZINC000892783956 625600610 /nfs/dbraw/zinc/60/06/10/625600610.db2.gz FYGDIIBDABWCAO-MRXNPFEDSA-N 0 3 303.362 2.117 20 5 DEBDHN NC(=O)[C@]12CCC[C@H]1CN(Cc1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC000933753220 624616119 /nfs/dbraw/zinc/61/61/19/624616119.db2.gz UGDZXOMNNCZEQY-NHYWBVRUSA-N 0 3 323.780 2.336 20 5 DEBDHN COc1c([O-])ccc(C[NH2+][C@H]2CCOC(C)(C)C2)c1[N+](=O)[O-] ZINC000893236549 625267210 /nfs/dbraw/zinc/26/72/10/625267210.db2.gz HVZYLYGSPBDQDI-NSHDSACASA-N 0 3 310.350 2.356 20 5 DEBDHN CC(=O)NC1(C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001000043345 634732119 /nfs/dbraw/zinc/73/21/19/634732119.db2.gz QAIGXKMTQKXPQQ-UHFFFAOYSA-N 0 3 317.389 2.476 20 5 DEBDHN O=[N+]([O-])c1ccc([C@H](O)CNCc2cccc3c2OCC3)cc1 ZINC000921703941 634787723 /nfs/dbraw/zinc/78/77/23/634787723.db2.gz DWCZGCKXZQOTNZ-MRXNPFEDSA-N 0 3 314.341 2.353 20 5 DEBDHN COc1c(O)ccc(CNC[C@H]2CCC(C)(C)O2)c1[N+](=O)[O-] ZINC000893715838 635991792 /nfs/dbraw/zinc/99/17/92/635991792.db2.gz AOBDKVAYSCKMHG-LLVKDONJSA-N 0 3 310.350 2.356 20 5 DEBDHN O=[N+]([O-])c1ccc(Cl)cc1CNC[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000922724897 636346923 /nfs/dbraw/zinc/34/69/23/636346923.db2.gz DAMMUUOKDSVXLG-OSMZGAPFSA-N 0 3 312.753 2.142 20 5 DEBDHN COc1c([O-])ccc(C[N@H+](CC2CCC2)[C@H](C)CO)c1[N+](=O)[O-] ZINC000894286341 636693888 /nfs/dbraw/zinc/69/38/88/636693888.db2.gz WRHIVFQNZZNFSK-LLVKDONJSA-N 0 3 324.377 2.292 20 5 DEBDHN COc1c([O-])ccc(C[N@@H+](CC2CCC2)[C@H](C)CO)c1[N+](=O)[O-] ZINC000894286341 636693890 /nfs/dbraw/zinc/69/38/90/636693890.db2.gz WRHIVFQNZZNFSK-LLVKDONJSA-N 0 3 324.377 2.292 20 5 DEBDHN COc1c(O)ccc(CN(CC2CCC2)[C@H](C)CO)c1[N+](=O)[O-] ZINC000894286341 636693893 /nfs/dbraw/zinc/69/38/93/636693893.db2.gz WRHIVFQNZZNFSK-LLVKDONJSA-N 0 3 324.377 2.292 20 5 DEBDHN Cn1nnc2c1C[C@H](NCc1cc([N+](=O)[O-])ccc1Cl)CC2 ZINC000922993906 636902807 /nfs/dbraw/zinc/90/28/07/636902807.db2.gz PILBWFKYXPDFTM-SNVBAGLBSA-N 0 3 321.768 2.024 20 5 DEBDHN CSc1ccc(C(=O)N[C@H]2CCN(C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000928454471 637291297 /nfs/dbraw/zinc/29/12/97/637291297.db2.gz NGRNGMFUOOLPIZ-KOLCDFICSA-N 0 3 309.391 2.139 20 5 DEBDHN O=[N+]([O-])c1ccc(CN[C@H](CO)C[C@@H]2CCCO2)cc1Cl ZINC000895747827 638175688 /nfs/dbraw/zinc/17/56/88/638175688.db2.gz INBNUBHCRGINRW-RYUDHWBXSA-N 0 3 314.769 2.268 20 5 DEBDHN COc1c(O)ccc(CN2CCN(C)[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000895849074 638231784 /nfs/dbraw/zinc/23/17/84/638231784.db2.gz RIMLVVYIYJKUMW-CYBMUJFWSA-N 0 3 323.393 2.081 20 5 DEBDHN O=[N+]([O-])c1cc(Cl)ccc1CN[C@@H](CO)C[C@H]1CCCO1 ZINC000896043780 638328699 /nfs/dbraw/zinc/32/86/99/638328699.db2.gz SZDSXLLVBHFECW-CHWSQXEVSA-N 0 3 314.769 2.268 20 5 DEBDHN O=[N+]([O-])c1ccc2cnn(CN3CC[C@H]([C@H]4CCOC4)C3)c2c1 ZINC000749800254 638682885 /nfs/dbraw/zinc/68/28/85/638682885.db2.gz RAOFNHSSXNATCH-KBPBESRZSA-N 0 3 316.361 2.260 20 5 DEBDHN COC(=O)N1CCC[C@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000749841330 638687502 /nfs/dbraw/zinc/68/75/02/638687502.db2.gz WFEKFEGVWHRCPA-AAEUAGOBSA-N 0 3 307.350 2.476 20 5 DEBDHN COCCOC[C@H](C)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761526430 640320234 /nfs/dbraw/zinc/32/02/34/640320234.db2.gz LVEJGQGPGMHGOA-JTQLQIEISA-N 0 3 302.758 2.389 20 5 DEBDHN C[C@@H]1CCCN1CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000773189039 641740807 /nfs/dbraw/zinc/74/08/07/641740807.db2.gz JDCGXXHDWHOWAN-SNVBAGLBSA-N 0 3 311.769 2.462 20 5 DEBDHN NC(=O)[C@@H]1CCCC[C@@H]1NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000782534347 642892176 /nfs/dbraw/zinc/89/21/76/642892176.db2.gz ACJJOFKVTBQDCR-NEPJUHHUSA-N 0 3 311.769 2.382 20 5 DEBDHN COc1cc([C@H](C)NCC[C@@H](C)[S@](C)=O)cc([N+](=O)[O-])c1 ZINC000903123507 643260000 /nfs/dbraw/zinc/26/00/00/643260000.db2.gz AQKQYRZWLYJPJU-NNOLRYQLSA-N 0 3 314.407 2.411 20 5 DEBDHN COc1cc([C@H](C)N[C@H](C)C[S@](C)=O)cc([N+](=O)[O-])c1 ZINC000903147667 643272969 /nfs/dbraw/zinc/27/29/69/643272969.db2.gz MEPYKLHWBGJJSL-ARNPGYACSA-N 0 3 300.380 2.021 20 5 DEBDHN COCC[C@H](COC)N[C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903173485 643276438 /nfs/dbraw/zinc/27/64/38/643276438.db2.gz ZNZCTYXDNIJJNL-WCQYABFASA-N 0 3 312.366 2.306 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC[C@H]1CC(=O)N(C)C1 ZINC000903209851 643288786 /nfs/dbraw/zinc/28/87/86/643288786.db2.gz GGFINQOWXKVYJN-RYUDHWBXSA-N 0 3 321.377 2.122 20 5 DEBDHN Cn1cnc(CN[C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000903351286 643324958 /nfs/dbraw/zinc/32/49/58/643324958.db2.gz JPAQHKGNADUJHB-OAHLLOKOSA-N 0 3 300.362 2.439 20 5 DEBDHN CN(Cc1ccc(Cl)c([N+](=O)[O-])c1)C1(CO)CCOCC1 ZINC000792408567 644113409 /nfs/dbraw/zinc/11/34/09/644113409.db2.gz GEZWRJNDRNISBJ-UHFFFAOYSA-N 0 3 314.769 2.222 20 5 DEBDHN COc1c(C(=O)NC[C@H](C)N2CCCCC2)cccc1[N+](=O)[O-] ZINC000793132254 644195484 /nfs/dbraw/zinc/19/54/84/644195484.db2.gz LJYDTDLLBUIVIG-LBPRGKRZSA-N 0 3 321.377 2.208 20 5 DEBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000843823354 651036104 /nfs/dbraw/zinc/03/61/04/651036104.db2.gz WLCWXYMUIFHSNQ-ZANVPECISA-N 0 3 321.352 2.255 20 5 DEBDHN Cc1cnn([C@H]2CCN(C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000810121952 646327015 /nfs/dbraw/zinc/32/70/15/646327015.db2.gz UVDKVSYBHXSCTQ-HOTGVXAUSA-N 0 3 316.361 2.080 20 5 DEBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813103468 646728972 /nfs/dbraw/zinc/72/89/72/646728972.db2.gz BMPPRLJNMXMOBU-JQWIXIFHSA-N 0 3 310.306 2.372 20 5 DEBDHN CCOc1nc(C(F)(F)F)ccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813107183 646729514 /nfs/dbraw/zinc/72/95/14/646729514.db2.gz MDQVFNSMJDNBLR-SSDOTTSWSA-N 0 3 322.239 2.321 20 5 DEBDHN CC(COC(=O)c1ccc(C(=O)c2cc[nH]c2)cc1)[N+](=O)[O-] ZINC000813109429 646730405 /nfs/dbraw/zinc/73/04/05/646730405.db2.gz JXWOUPMOQQIGQU-JTQLQIEISA-N 0 3 302.286 2.068 20 5 DEBDHN CC(COC(=O)c1sc(N2CCCC2)nc1Cl)[N+](=O)[O-] ZINC000813111390 646731514 /nfs/dbraw/zinc/73/15/14/646731514.db2.gz SRJFFFSNRZLBNH-ZETCQYMHSA-N 0 3 319.770 2.219 20 5 DEBDHN C/C=C\c1ccc(OCC(=O)OCC(C)[N+](=O)[O-])c(OC)c1 ZINC000813113847 646732444 /nfs/dbraw/zinc/73/24/44/646732444.db2.gz JVPNAGYEKBRQIF-WYGGZMRJSA-N 0 3 309.318 2.316 20 5 DEBDHN CCOc1c(Cl)cccc1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813115433 646732799 /nfs/dbraw/zinc/73/27/99/646732799.db2.gz RWSBDQWTZPNVIE-SECBINFHSA-N 0 3 301.726 2.490 20 5 DEBDHN Cc1cc(-n2c(C)cc(C(=O)OCC(C)[N+](=O)[O-])c2C)no1 ZINC000813113868 646733374 /nfs/dbraw/zinc/73/33/74/646733374.db2.gz VPJBRYNFXZCYJD-VIFPVBQESA-N 0 3 307.306 2.213 20 5 DEBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1-c1ccc(C)cc1 ZINC000813115672 646734079 /nfs/dbraw/zinc/73/40/79/646734079.db2.gz XLNLAGKQCIFZBU-LLVKDONJSA-N 0 3 303.318 2.311 20 5 DEBDHN O=C(COc1cccc([N+](=O)[O-])c1)OCCN1CCCCC1 ZINC000914709711 647413724 /nfs/dbraw/zinc/41/37/24/647413724.db2.gz UWQYFQOWSHNOIY-UHFFFAOYSA-N 0 3 308.334 2.003 20 5 DEBDHN C[C@@H](NC(=O)N[C@@H]1CCN(C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000918892681 648115010 /nfs/dbraw/zinc/11/50/10/648115010.db2.gz KCBKOIHFTMLWLI-DGCLKSJQSA-N 0 3 318.377 2.192 20 5 DEBDHN O=[N+]([O-])c1cc(Br)ccc1CN[C@H](CO)C1CC1 ZINC000822845879 648302457 /nfs/dbraw/zinc/30/24/57/648302457.db2.gz WBEGSAJESLVYID-LLVKDONJSA-N 0 3 315.167 2.218 20 5 DEBDHN CN(C)[C@H]1Cc2ccccc2N(C(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000823222189 648377411 /nfs/dbraw/zinc/37/74/11/648377411.db2.gz GPTNLUASXNCVOC-AWEZNQCLSA-N 0 3 319.405 2.341 20 5 DEBDHN CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CCN1 ZINC000831599558 649614559 /nfs/dbraw/zinc/61/45/59/649614559.db2.gz SBWDOYQZUJPUOV-CYBMUJFWSA-N 0 3 311.769 2.318 20 5 DEBDHN Cc1cc(Cl)c(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000832697344 649736962 /nfs/dbraw/zinc/73/69/62/649736962.db2.gz ADQLSVGVLRZZRD-HZMBPMFUSA-N 0 3 323.780 2.333 20 5 DEBDHN CC([C@H](OC(=O)c1ccnn1C)c1ccccc1F)[N+](=O)[O-] ZINC000845873746 651291303 /nfs/dbraw/zinc/29/13/03/651291303.db2.gz FWFJMPDJIAHTON-RNCFNFMXSA-N 0 3 307.281 2.123 20 5 DEBDHN Cc1n[nH]cc1C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845882064 651292082 /nfs/dbraw/zinc/29/20/82/651292082.db2.gz NURUJTPFUMTWFR-ZANVPECISA-N 0 3 307.281 2.421 20 5 DEBDHN CCN1C[C@@H](CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)OC1=O ZINC000846847106 651356371 /nfs/dbraw/zinc/35/63/71/651356371.db2.gz KHAZJQMZECYCJB-WCQYABFASA-N 0 3 307.350 2.395 20 5 DEBDHN CC(COC(=O)CCc1ccc2c(c1)OC(F)(F)O2)[N+](=O)[O-] ZINC000847714302 651412880 /nfs/dbraw/zinc/41/28/80/651412880.db2.gz PPVXVXVNQHICMH-MRVPVSSYSA-N 0 3 317.244 2.149 20 5 DEBDHN Cn1nnc2c1CC[C@@H](NCc1cc([N+](=O)[O-])ccc1Cl)C2 ZINC000848566982 651472031 /nfs/dbraw/zinc/47/20/31/651472031.db2.gz NJJGKRUMRKZAGT-SNVBAGLBSA-N 0 3 321.768 2.024 20 5 DEBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000928445115 693780826 /nfs/dbraw/zinc/78/08/26/693780826.db2.gz WYYSZJXDUIWFIE-MWLCHTKSSA-N 0 3 311.769 2.379 20 5 DEBDHN Cc1ccnc(Nc2cccc(C(=O)OCC(C)[N+](=O)[O-])c2)n1 ZINC000860776328 685959987 /nfs/dbraw/zinc/95/99/87/685959987.db2.gz DTCLMFXEGQXSJL-LLVKDONJSA-N 0 3 316.317 2.351 20 5 DEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000862546436 686320407 /nfs/dbraw/zinc/32/04/07/686320407.db2.gz MNMNAZGCLHZJLE-MEDDXHKCSA-N 0 3 302.330 2.103 20 5 DEBDHN COC/C(C)=C\CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000929987012 694065165 /nfs/dbraw/zinc/06/51/65/694065165.db2.gz ITAPNQJNBPHAOM-QWGHSUKYSA-N 0 3 306.366 2.069 20 5 DEBDHN CCCN(CCN(C)C)C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000865177314 686959196 /nfs/dbraw/zinc/95/91/96/686959196.db2.gz DTNVLZSYOLMBCH-UHFFFAOYSA-N 0 3 311.357 2.077 20 5 DEBDHN CC(C)NC(=O)[C@@H](C)N[C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866374035 687551141 /nfs/dbraw/zinc/55/11/41/687551141.db2.gz AEQDTJXSEHGJPY-GHMZBOCLSA-N 0 3 311.357 2.168 20 5 DEBDHN CNC(=O)C[C@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872075246 688922904 /nfs/dbraw/zinc/92/29/04/688922904.db2.gz BFEINDRCMFCGGA-UWVGGRQHSA-N 0 3 311.407 2.492 20 5 DEBDHN COc1ccc(CN2[C@H](C)CC[C@H](C(N)=O)[C@@H]2C)cc1[N+](=O)[O-] ZINC000930914824 694271508 /nfs/dbraw/zinc/27/15/08/694271508.db2.gz JIAUZDYEAOWORN-MDZLAQPJSA-N 0 3 321.377 2.078 20 5 DEBDHN CO[C@H]1C[C@@H](CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000877913288 690259054 /nfs/dbraw/zinc/25/90/54/690259054.db2.gz OVRJQZHWLPNIJE-AKAXFMLLSA-N 0 3 305.378 2.142 20 5 DEBDHN O=[N+]([O-])c1ccccc1/C=C/CNCC[C@H]1CCCS1(=O)=O ZINC000883300088 691477223 /nfs/dbraw/zinc/47/72/23/691477223.db2.gz NQEQCKARIWEBDX-BOTMBNHJSA-N 0 3 324.402 2.165 20 5 DEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@H]1C[C@H](S(C)(=O)=O)C1 ZINC000883379449 691493748 /nfs/dbraw/zinc/49/37/48/691493748.db2.gz BWRWYPBOAWSQOI-LEMVBVGESA-N 0 3 324.402 2.163 20 5 DEBDHN N[C@@H](CC1CC1)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000884129362 691661390 /nfs/dbraw/zinc/66/13/90/691661390.db2.gz FOCIXSSKELJWMP-HNNXBMFYSA-N 0 3 305.378 2.161 20 5 DEBDHN COC[C@@H](NCc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000886908406 692227309 /nfs/dbraw/zinc/22/73/09/692227309.db2.gz SMYPFLCAANTYHD-BXUZGUMPSA-N 0 3 312.341 2.265 20 5 DEBDHN CCN1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000932354832 694600216 /nfs/dbraw/zinc/60/02/16/694600216.db2.gz YMAQJSRLERPCTL-JKSUJKDBSA-N 0 3 317.389 2.253 20 5 DEBDHN Cc1[nH]cnc1C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC001344014705 1150792224 /nfs/dbraw/zinc/79/22/24/1150792224.db2.gz ZHRJDATWUKWJLN-NOZJJQNGSA-N 0 3 307.281 2.421 20 5 DEBDHN COc1ccc(C[C@@H](C)N2CCCC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC001170329383 786910692 /nfs/dbraw/zinc/91/06/92/786910692.db2.gz PTVXRWUJTMHTGM-TZMCWYRMSA-N 0 3 308.378 2.381 20 5 DEBDHN COC(=O)[C@@H]1CCN([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170335147 786914616 /nfs/dbraw/zinc/91/46/16/786914616.db2.gz LRJDYIYMNKFFSV-DGCLKSJQSA-N 0 3 322.361 2.029 20 5 DEBDHN Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H]2CCN2C2CCCC2)n1 ZINC001131914945 787807554 /nfs/dbraw/zinc/80/75/54/787807554.db2.gz FKSHKSMCQISAPA-CYBMUJFWSA-N 0 3 318.377 2.045 20 5 DEBDHN CCCC1(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)CC1 ZINC001133457478 788438517 /nfs/dbraw/zinc/43/85/17/788438517.db2.gz KACWKWBJFQAPRT-UHFFFAOYSA-N 0 3 305.378 2.381 20 5 DEBDHN CC1(CCC(=O)NCCNCc2cccc([N+](=O)[O-])c2)CC1 ZINC001146459006 791293202 /nfs/dbraw/zinc/29/32/02/791293202.db2.gz WOWGTGKJBKVOFV-UHFFFAOYSA-N 0 3 305.378 2.381 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)NCc2cncnc2)c1F ZINC001173176547 793619159 /nfs/dbraw/zinc/61/91/59/793619159.db2.gz HWSJFYQGPASKLP-JTQLQIEISA-N 0 3 320.324 2.253 20 5 DEBDHN COCCN(C)[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173182476 793622363 /nfs/dbraw/zinc/62/23/63/793622363.db2.gz FYOWJSQMEOEZIH-JTQLQIEISA-N 0 3 300.330 2.252 20 5 DEBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC001122813465 795807923 /nfs/dbraw/zinc/80/79/23/795807923.db2.gz FOACQLXYVUBMRU-UHFFFAOYSA-N 0 3 305.378 2.381 20 5 DEBDHN Cc1ccoc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001123535436 795929000 /nfs/dbraw/zinc/92/90/00/795929000.db2.gz PHGWIEQTGGJIGP-UHFFFAOYSA-N 0 3 303.318 2.016 20 5 DEBDHN Cn1ncc([N+](=O)[O-])c1N1CCN[C@H](c2ccc(Cl)cc2)C1 ZINC001187931800 796604444 /nfs/dbraw/zinc/60/44/44/796604444.db2.gz PMSRGZSTWMYGBS-LBPRGKRZSA-N 0 3 321.768 2.133 20 5 DEBDHN C[C@H](C(=O)N[C@H]1CN(C)CC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC001156597288 798038697 /nfs/dbraw/zinc/03/86/97/798038697.db2.gz HDMYGFQZEVHWPM-FZMZJTMJSA-N 0 3 305.378 2.155 20 5 DEBDHN NCc1nn(-c2ccc3[nH]cc([N+](=O)[O-])c3n2)c2ccccc12 ZINC001156860956 798096228 /nfs/dbraw/zinc/09/62/28/798096228.db2.gz WOBPEOSQSUTNSJ-UHFFFAOYSA-N 0 3 308.301 2.269 20 5 DEBDHN O=C(Cc1ccoc1)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001156965876 798118730 /nfs/dbraw/zinc/11/87/30/798118730.db2.gz HNWYAGGCSAHEJR-UHFFFAOYSA-N 0 3 323.374 2.088 20 5 DEBDHN Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3CCCN(C)[C@@H]3C2)n1 ZINC001157264314 798172189 /nfs/dbraw/zinc/17/21/89/798172189.db2.gz FCXDKAYKFBNIIB-CMPLNLGQSA-N 0 3 310.785 2.482 20 5 DEBDHN Cc1cc([N+](=O)[O-])c(N2C[C@H]3[C@H](C2)CCCN3C)nc1Cl ZINC001157265613 798173186 /nfs/dbraw/zinc/17/31/86/798173186.db2.gz KBMKJPKXNXTXIQ-JQWIXIFHSA-N 0 3 310.785 2.482 20 5 DEBDHN CC(C)Oc1nc(N2C[C@H]3[C@H](C2)CCCN3C)ccc1[N+](=O)[O-] ZINC001157270770 798174534 /nfs/dbraw/zinc/17/45/34/798174534.db2.gz GGMRBGNEUUFWAE-JSGCOSHPSA-N 0 3 320.393 2.307 20 5 DEBDHN O=[N+]([O-])c1cnc(N2CCN[C@H](c3ccccc3)C2)c(F)c1 ZINC001157759921 798272962 /nfs/dbraw/zinc/27/29/62/798272962.db2.gz XBHVPXBWPRHPDN-AWEZNQCLSA-N 0 3 302.309 2.280 20 5 DEBDHN COc1ccc([N+](=O)[O-])nc1-n1c2ccccc2nc1[C@H](C)N ZINC001162767172 799168797 /nfs/dbraw/zinc/16/87/97/799168797.db2.gz SKGSKBICSWXNRM-VIFPVBQESA-N 0 3 313.317 2.357 20 5 DEBDHN Cc1c(CN2CCC([C@@H]3COC(=O)N3)CC2)cccc1[N+](=O)[O-] ZINC000932782981 799932273 /nfs/dbraw/zinc/93/22/73/799932273.db2.gz XYTZQSJGDOSVMM-AWEZNQCLSA-N 0 3 319.361 2.224 20 5 DEBDHN CN(C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)[C@H]1CCCN(C)C1 ZINC000933485709 800107520 /nfs/dbraw/zinc/10/75/20/800107520.db2.gz KFDSACHXMBUTFE-ARFHVFGLSA-N 0 3 317.389 2.251 20 5 DEBDHN CC(C)N(CCN(C)C)C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000935026317 800533856 /nfs/dbraw/zinc/53/38/56/800533856.db2.gz UHTYXKXBJROOLT-JKSUJKDBSA-N 0 3 319.405 2.497 20 5 DEBDHN CC(C)N1CC[C@H](Oc2n[nH]c(=O)c3ccc([N+](=O)[O-])cc32)C1 ZINC001229363325 801263866 /nfs/dbraw/zinc/26/38/66/801263866.db2.gz CPTALDZSDMJCGG-NSHDSACASA-N 0 3 318.333 2.105 20 5 DEBDHN CCN1CCC[C@@H](O[C@@H](C(=O)OC)c2ccccc2[N+](=O)[O-])C1 ZINC001223648073 802806365 /nfs/dbraw/zinc/80/63/65/802806365.db2.gz LVOYQYONEBORTC-IUODEOHRSA-N 0 3 322.361 2.310 20 5 DEBDHN COc1cc(CO[C@H]2CN3CCC2CC3)c([N+](=O)[O-])cc1OC ZINC001223906223 802822732 /nfs/dbraw/zinc/82/27/32/802822732.db2.gz AGTKUHMCSXPDPG-INIZCTEOSA-N 0 3 322.361 2.223 20 5 DEBDHN C[C@@H](CNC(=O)C1(N)CC2(CCC2)C1)c1ccccc1[N+](=O)[O-] ZINC001342944201 1150633252 /nfs/dbraw/zinc/63/32/52/1150633252.db2.gz NSIGRZCKAVRINH-LBPRGKRZSA-N 0 3 317.389 2.476 20 5 DEBDHN N[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C1CCCCC1 ZINC001328521951 1148806049 /nfs/dbraw/zinc/80/60/49/1148806049.db2.gz FROHEZGXSJWJIA-MRXNPFEDSA-N 0 3 317.389 2.387 20 5 DEBDHN Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H](C)N2CCCC[C@@H]2C)n1 ZINC001526815976 1070354273 /nfs/dbraw/zinc/35/42/73/1070354273.db2.gz ZXAHSVFDQHIMGS-QWHCGFSZSA-N 0 3 320.393 2.291 20 5 DEBDHN CSCC[C@@H](N)C(=O)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC001579375100 1067317699 /nfs/dbraw/zinc/31/76/99/1067317699.db2.gz DBNMFSZPFWNQIN-CYBMUJFWSA-N 0 3 323.418 2.345 20 5 DEBDHN CC(C)C[C@H](N)C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1 ZINC001573503546 1069021103 /nfs/dbraw/zinc/02/11/03/1069021103.db2.gz HTUNPVCWPADPCB-LBPRGKRZSA-N 0 3 317.349 2.297 20 5 DEBDHN CC1(C)CC[N@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001590099437 1076563898 /nfs/dbraw/zinc/56/38/98/1076563898.db2.gz IYVSFQJMQKGWMV-UHFFFAOYSA-N 0 3 302.338 2.007 20 5 DEBDHN CC1(C)CC[N@@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001590099437 1076563902 /nfs/dbraw/zinc/56/39/02/1076563902.db2.gz IYVSFQJMQKGWMV-UHFFFAOYSA-N 0 3 302.338 2.007 20 5 DEBDHN CC[NH+](CC)CCSc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609223405 1077806275 /nfs/dbraw/zinc/80/62/75/1077806275.db2.gz NMHSIHAWBXQYAG-UHFFFAOYSA-N 0 3 322.394 2.209 20 5 DEBDHN CC[NH+](CC)CCSc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609223405 1077806281 /nfs/dbraw/zinc/80/62/81/1077806281.db2.gz NMHSIHAWBXQYAG-UHFFFAOYSA-N 0 3 322.394 2.209 20 5 DEBDHN COc1cc(CNC[C@H](O)c2ccccc2)c([N+](=O)[O-])cc1O ZINC001655200595 1079989635 /nfs/dbraw/zinc/98/96/35/1079989635.db2.gz FDLRNHCMDSWMJX-HNNXBMFYSA-N 0 3 318.329 2.132 20 5 DEBDHN COc1cc(C[NH2+][C@H]2CCO[C@H](C3CC3)C2)c([N+](=O)[O-])cc1[O-] ZINC001657749003 1080184664 /nfs/dbraw/zinc/18/46/64/1080184664.db2.gz FXCNVHXIPGJRHT-WFASDCNBSA-N 0 3 322.361 2.356 20 5 DEBDHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)CCC(F)F ZINC001664076931 1080856663 /nfs/dbraw/zinc/85/66/63/1080856663.db2.gz HLLJWJYYEOQFCG-UHFFFAOYSA-N 0 3 315.320 2.188 20 5 DEBDHN CC(C)(C)N1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001321911450 1141364821 /nfs/dbraw/zinc/36/48/21/1141364821.db2.gz LQFPSLDQZCOVRJ-UHFFFAOYSA-N 0 3 322.365 2.419 20 5 DEBDHN CCc1nn(C)c(N2CCN(C3CCCC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC001338098607 1142828314 /nfs/dbraw/zinc/82/83/14/1142828314.db2.gz QQJIMHPRBACVTD-LBPRGKRZSA-N 0 3 321.425 2.344 20 5 DEBDHN NCc1ccn(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC001254465537 1143129877 /nfs/dbraw/zinc/12/98/77/1143129877.db2.gz BTVQKXRUSQSGCA-UHFFFAOYSA-N 0 3 301.350 2.092 20 5 DEBDHN O=C1CC[C@]2(CCCN([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)O1 ZINC001254609616 1143278888 /nfs/dbraw/zinc/27/88/88/1143278888.db2.gz YDRAWPGPXUVOHN-RDJZCZTQSA-N 0 3 316.357 2.234 20 5 DEBDHN COC(=O)[C@H]1CCC[C@@H]1NCc1cc([N+](=O)[O-])ccc1OC ZINC001256176643 1143833489 /nfs/dbraw/zinc/83/34/89/1143833489.db2.gz WGKMGZBVDZHKLF-STQMWFEESA-N 0 3 308.334 2.035 20 5 DEBDHN COc1c([O-])ccc(C[NH2+]C2(CCO)CCCCC2)c1[N+](=O)[O-] ZINC001308929349 1147490176 /nfs/dbraw/zinc/49/01/76/1147490176.db2.gz XYANLNSTTUOZKG-UHFFFAOYSA-N 0 3 324.377 2.484 20 5 DEBDHN CC(C)CC(=O)N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001317104248 1147659950 /nfs/dbraw/zinc/65/99/50/1147659950.db2.gz MVRYUYCOWFIMPB-OKILXGFUSA-N 0 3 305.378 2.378 20 5 DEBDHN COc1ccccc1C1(NCCn2ccc([N+](=O)[O-])n2)CCC1 ZINC001324890558 1147855812 /nfs/dbraw/zinc/85/58/12/1147855812.db2.gz IRJITGOENSXXOC-UHFFFAOYSA-N 0 3 316.361 2.469 20 5 DEBDHN Cc1nc2n(n1)C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1C)CC2 ZINC000160439315 282117246 /nfs/dbraw/zinc/11/72/46/282117246.db2.gz NCWUFZZQKMFZPJ-AAEUAGOBSA-N 0 3 315.377 2.469 20 5 DEBDHN C[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1cccc([N+](=O)[O-])c1 ZINC000090538310 185301522 /nfs/dbraw/zinc/30/15/22/185301522.db2.gz ZBUNLXJDPXDINY-SNVBAGLBSA-N 0 3 305.294 2.050 20 5 DEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC2(C1)CCCCC2 ZINC000090550755 185302417 /nfs/dbraw/zinc/30/24/17/185302417.db2.gz RPNJVOPMTBKHPY-UHFFFAOYSA-N 0 3 305.378 2.413 20 5 DEBDHN COC[C@@H](O)CCNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000272799383 210200809 /nfs/dbraw/zinc/20/08/09/210200809.db2.gz DQCQCDXVCAFQLY-LBPRGKRZSA-N 0 3 305.334 2.261 20 5 DEBDHN C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000272794846 210197303 /nfs/dbraw/zinc/19/73/03/210197303.db2.gz UENORHOOVDEZIV-ZDUSSCGKSA-N 0 3 317.389 2.294 20 5 DEBDHN O=C(Nc1ccncc1[N+](=O)[O-])N1CC[C@@H](N2CCCCC2)C1 ZINC000272744834 210149389 /nfs/dbraw/zinc/14/93/89/210149389.db2.gz RSNZBOIDTIIUOY-GFCCVEGCSA-N 0 3 319.365 2.082 20 5 DEBDHN C[C@H](C(=O)NCc1cccc([N+](=O)[O-])c1)N1[C@H](C)CC[C@H]1C ZINC000245201570 282383598 /nfs/dbraw/zinc/38/35/98/282383598.db2.gz KBVCZIRUYXJREC-JHJVBQTASA-N 0 3 305.378 2.472 20 5 DEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@H](C)[C@H]1CN(C)CCO1 ZINC000615721963 362691451 /nfs/dbraw/zinc/69/14/51/362691451.db2.gz QQFUHXOGJBZWKA-IQRUHWCRSA-N 0 3 319.405 2.307 20 5 DEBDHN COc1cc(CNC[C@@H]2CCSC2)c([N+](=O)[O-])cc1OC ZINC000279685928 215061841 /nfs/dbraw/zinc/06/18/41/215061841.db2.gz AKTQHXYZNJYEPP-JTQLQIEISA-N 0 3 312.391 2.455 20 5 DEBDHN C[C@H](C(=O)N[C@H]1CCN(C2CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000331371082 233207791 /nfs/dbraw/zinc/20/77/91/233207791.db2.gz DOJYQRTUZFHRFS-QWRGUYRKSA-N 0 3 321.352 2.190 20 5 DEBDHN CN(CCN1CCCC1)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000149228573 186048360 /nfs/dbraw/zinc/04/83/60/186048360.db2.gz PSPYPEROHNNKNU-UHFFFAOYSA-N 0 3 311.769 2.416 20 5 DEBDHN C[C@@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])N1CCCC1 ZINC000149231219 186048683 /nfs/dbraw/zinc/04/86/83/186048683.db2.gz FGZVKAACCRSLFF-JTQLQIEISA-N 0 3 311.769 2.462 20 5 DEBDHN O=c1ccc([N+](=O)[O-])cn1CCNC1(c2cccc(F)c2)CC1 ZINC000179682677 186204313 /nfs/dbraw/zinc/20/43/13/186204313.db2.gz VUHQYDBWDWUGDO-UHFFFAOYSA-N 0 3 317.320 2.175 20 5 DEBDHN CCCN1CC[C@@H](NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000595483602 358461565 /nfs/dbraw/zinc/46/15/65/358461565.db2.gz WXPVKRASUYNARF-GXTWGEPZSA-N 0 3 320.393 2.439 20 5 DEBDHN CCN1CCCN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000617725469 363235043 /nfs/dbraw/zinc/23/50/43/363235043.db2.gz STIHTPAWKQNFKK-ZDUSSCGKSA-N 0 3 305.378 2.253 20 5 DEBDHN CCN1CCCN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000617725468 363235075 /nfs/dbraw/zinc/23/50/75/363235075.db2.gz STIHTPAWKQNFKK-CYBMUJFWSA-N 0 3 305.378 2.253 20 5 DEBDHN Cc1n[nH]c([C@H]2CCN(Cc3ccc(F)cc3[N+](=O)[O-])C2)n1 ZINC000595551873 358481823 /nfs/dbraw/zinc/48/18/23/358481823.db2.gz ZJJFQGGRJUGQFX-NSHDSACASA-N 0 3 305.313 2.150 20 5 DEBDHN Cc1nc([C@H]2CCN(Cc3ccc(F)cc3[N+](=O)[O-])C2)n[nH]1 ZINC000595551873 358481826 /nfs/dbraw/zinc/48/18/26/358481826.db2.gz ZJJFQGGRJUGQFX-NSHDSACASA-N 0 3 305.313 2.150 20 5 DEBDHN Cc1nnc([C@H]2CCN(Cc3ccc(F)cc3[N+](=O)[O-])C2)[nH]1 ZINC000595551873 358481829 /nfs/dbraw/zinc/48/18/29/358481829.db2.gz ZJJFQGGRJUGQFX-NSHDSACASA-N 0 3 305.313 2.150 20 5 DEBDHN CC1CCN(CCNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000043146115 354214651 /nfs/dbraw/zinc/21/46/51/354214651.db2.gz CWHABTSARYOBRT-UHFFFAOYSA-N 0 3 306.366 2.448 20 5 DEBDHN CN1CCC(NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000043331596 354219817 /nfs/dbraw/zinc/21/98/17/354219817.db2.gz VULZNIRCPFRAKM-UHFFFAOYSA-N 0 3 312.757 2.464 20 5 DEBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000055405405 354496503 /nfs/dbraw/zinc/49/65/03/354496503.db2.gz QQNSRAPTMPZIPB-QWHCGFSZSA-N 0 3 305.378 2.445 20 5 DEBDHN C[C@@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)N(C)C1CC1 ZINC000057706879 354577744 /nfs/dbraw/zinc/57/77/44/354577744.db2.gz BXYHNZDUAZSEBJ-JTQLQIEISA-N 0 3 316.361 2.289 20 5 DEBDHN CC(C)N1C[C@H](N[C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1=O ZINC000449155558 535265755 /nfs/dbraw/zinc/26/57/55/535265755.db2.gz LZSNLUPQOXJECY-GXTWGEPZSA-N 0 3 305.378 2.125 20 5 DEBDHN CN(C)[C@@H]1CCCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000067044917 354744770 /nfs/dbraw/zinc/74/47/70/354744770.db2.gz JWKUXEGHOIDDMM-JOZWUWCOSA-N 0 3 303.362 2.161 20 5 DEBDHN CCN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@H]1CCOC1 ZINC000618275934 363443587 /nfs/dbraw/zinc/44/35/87/363443587.db2.gz RZZFBALSUVNTCJ-LLVKDONJSA-N 0 3 304.350 2.330 20 5 DEBDHN O=[N+]([O-])c1ccc(OCCN2CCC3(C2)CCOCC3)cc1 ZINC000076157557 355131333 /nfs/dbraw/zinc/13/13/33/355131333.db2.gz NKDUBQXOZCDVSF-UHFFFAOYSA-N 0 3 306.362 2.476 20 5 DEBDHN CN1CC[C@@H]2OCCN(c3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000284565065 283090883 /nfs/dbraw/zinc/09/08/83/283090883.db2.gz NUCDFAOURREROT-KGLIPLIRSA-N 0 3 311.769 2.158 20 5 DEBDHN COC(=O)c1cc([N+](=O)[O-])c(NCCN(C)C)cc1Cl ZINC000090998142 355571425 /nfs/dbraw/zinc/57/14/25/355571425.db2.gz RHAPGXZLWMCPJC-UHFFFAOYSA-N 0 3 301.730 2.008 20 5 DEBDHN C[C@@H](C(=O)NC[C@@H]1CCCN(C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185222903 356204849 /nfs/dbraw/zinc/20/48/49/356204849.db2.gz GXXALBKZTDUJSR-NEPJUHHUSA-N 0 3 323.368 2.295 20 5 DEBDHN COC(=O)[C@]1(C)CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255393180 356337964 /nfs/dbraw/zinc/33/79/64/356337964.db2.gz NCBGOOJIPTTWLU-GMNBZTITSA-N 0 3 304.346 2.493 20 5 DEBDHN C[C@H](N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@H]1CN(C)CCO1 ZINC000618572003 363530534 /nfs/dbraw/zinc/53/05/34/363530534.db2.gz FETJJQMBHUQYFB-JCURWCKSSA-N 0 3 319.405 2.281 20 5 DEBDHN O=[N+]([O-])c1cccc(CNC[C@H](O)COCc2ccccc2)c1 ZINC000382179971 356673849 /nfs/dbraw/zinc/67/38/49/356673849.db2.gz ZEFILIWYWHZGCD-KRWDZBQOSA-N 0 3 316.357 2.262 20 5 DEBDHN CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000579634594 357007350 /nfs/dbraw/zinc/00/73/50/357007350.db2.gz GLFPSFUACDUYOX-AAEUAGOBSA-N 0 3 307.398 2.183 20 5 DEBDHN CC1(C)CN[C@H]1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000591686568 357751819 /nfs/dbraw/zinc/75/18/19/357751819.db2.gz XVBBSRVQVYZFNU-AWEZNQCLSA-N 0 3 303.362 2.084 20 5 DEBDHN Cc1occc1CNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000591727920 357754543 /nfs/dbraw/zinc/75/45/43/357754543.db2.gz KLQUEBYNONBAHO-CYBMUJFWSA-N 0 3 306.318 2.026 20 5 DEBDHN C[C@@H](CNC[C@H](O)COc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000591761139 357757284 /nfs/dbraw/zinc/75/72/84/357757284.db2.gz XZVXBEPFYZCQJG-ONGXEEELSA-N 0 3 322.283 2.123 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCN[C@@H](C(C)C)C1 ZINC000592242283 357856185 /nfs/dbraw/zinc/85/61/85/357856185.db2.gz RCZYAJPWYHRURQ-CQSZACIVSA-N 0 3 305.378 2.282 20 5 DEBDHN CC(C)[C@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CCN1 ZINC000592241479 357856269 /nfs/dbraw/zinc/85/62/69/357856269.db2.gz CTOVNPRZNZWWIR-OAHLLOKOSA-N 0 3 319.405 2.329 20 5 DEBDHN CC(C)(NC[C@H]1CNc2ccnn2C1)c1ccccc1[N+](=O)[O-] ZINC000592515225 357891909 /nfs/dbraw/zinc/89/19/09/357891909.db2.gz XFDZGYQQERRMNJ-GFCCVEGCSA-N 0 3 315.377 2.358 20 5 DEBDHN O=C(CCNCc1cccnc1)Nc1ccccc1[N+](=O)[O-] ZINC000592992688 357983217 /nfs/dbraw/zinc/98/32/17/357983217.db2.gz FCASSYYELCZEFI-UHFFFAOYSA-N 0 3 300.318 2.108 20 5 DEBDHN C[C@@H](NC[C@@H]1COC2(CCOCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000179988050 199103011 /nfs/dbraw/zinc/10/30/11/199103011.db2.gz ZILRSWASMRHNBU-IUODEOHRSA-N 0 3 322.361 2.168 20 5 DEBDHN Cc1c([C@@H](C)NCC[C@]2(O)CCCOC2)cccc1[N+](=O)[O-] ZINC000593719414 358129899 /nfs/dbraw/zinc/12/98/99/358129899.db2.gz DAEHSSJEADIUNB-CZUORRHYSA-N 0 3 308.378 2.485 20 5 DEBDHN O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1CCCN2CCCC[C@H]12 ZINC000594197141 358221947 /nfs/dbraw/zinc/22/19/47/358221947.db2.gz AHFSODDXVGKGLH-GOEBONIOSA-N 0 3 317.389 2.270 20 5 DEBDHN CCn1cnnc1CCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594498257 358283961 /nfs/dbraw/zinc/28/39/61/358283961.db2.gz IRQSBHRPRQNBQX-CYBMUJFWSA-N 0 3 301.350 2.026 20 5 DEBDHN COCCN(C)CCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000276626839 213009951 /nfs/dbraw/zinc/00/99/51/213009951.db2.gz NKSZVSWJFDECDL-UHFFFAOYSA-N 0 3 304.350 2.133 20 5 DEBDHN CC(C)(CNCc1csc([N+](=O)[O-])c1)[C@@]1(O)CCCOC1 ZINC000594995750 358374847 /nfs/dbraw/zinc/37/48/47/358374847.db2.gz KCZZUBWZFDSTBU-CQSZACIVSA-N 0 3 314.407 2.314 20 5 DEBDHN CC(C)(CNCc1ccccc1[N+](=O)[O-])[C@@]1(O)CCCOC1 ZINC000594997357 358375798 /nfs/dbraw/zinc/37/57/98/358375798.db2.gz WHCVWRRVSBLAAO-MRXNPFEDSA-N 0 3 308.378 2.252 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H](O)C1CCOCC1 ZINC000595018710 358378861 /nfs/dbraw/zinc/37/88/61/358378861.db2.gz FEFIZVXBCVAFHK-IAQYHMDHSA-N 0 3 324.377 2.042 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC1CCN(OC)CC1 ZINC000595043547 358382307 /nfs/dbraw/zinc/38/23/07/358382307.db2.gz HNNMBEHRHOFVIY-NSHDSACASA-N 0 3 309.366 2.280 20 5 DEBDHN O=[N+]([O-])c1ccc(CN(CCN2CCOCC2)CC2CC2)cc1 ZINC000595807150 358552430 /nfs/dbraw/zinc/55/24/30/358552430.db2.gz IOWXKQOQJDHRHD-UHFFFAOYSA-N 0 3 319.405 2.139 20 5 DEBDHN CN(C)CCN(C)c1c(Br)cccc1[N+](=O)[O-] ZINC000596150492 358622600 /nfs/dbraw/zinc/62/26/00/358622600.db2.gz BVERZYHTOALTJJ-UHFFFAOYSA-N 0 3 302.172 2.355 20 5 DEBDHN CS[C@H]1CN(c2c(Cl)cncc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000596179935 358632015 /nfs/dbraw/zinc/63/20/15/358632015.db2.gz RNVJAFYHSKVIPS-QWRGUYRKSA-N 0 3 316.814 2.125 20 5 DEBDHN Cn1cc(CNCCOCCF)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000596056976 358599583 /nfs/dbraw/zinc/59/95/83/358599583.db2.gz CZSHQPDZWAKKQV-UHFFFAOYSA-N 0 3 322.340 2.071 20 5 DEBDHN CCCN1CC[C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000596625041 358727133 /nfs/dbraw/zinc/72/71/33/358727133.db2.gz NRCIQGWYCQAFHE-LLVKDONJSA-N 0 3 322.365 2.209 20 5 DEBDHN CC(C)(C)N1CC[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000597922547 359041891 /nfs/dbraw/zinc/04/18/91/359041891.db2.gz FYAKBBDCMGOMLT-ZDUSSCGKSA-N 0 3 305.378 2.126 20 5 DEBDHN CC1(C)CC[C@H](CO)N(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000598649993 359276131 /nfs/dbraw/zinc/27/61/31/359276131.db2.gz WQBMFDYSPBFLAT-CYBMUJFWSA-N 0 3 308.378 2.457 20 5 DEBDHN O=c1ccc([C@@H]2OCC[C@H]2NCc2ccc([N+](=O)[O-])cc2)c[nH]1 ZINC000598997497 359378903 /nfs/dbraw/zinc/37/89/03/359378903.db2.gz DQRNQITYJBAWOC-ZBFHGGJFSA-N 0 3 315.329 2.315 20 5 DEBDHN CN(CCN(C)C1CC1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000186752504 200004620 /nfs/dbraw/zinc/00/46/20/200004620.db2.gz KHPDWODNYGOREI-UHFFFAOYSA-N 0 3 304.350 2.262 20 5 DEBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)CN(C)C1CCC1 ZINC000600827747 359839983 /nfs/dbraw/zinc/83/99/83/359839983.db2.gz WTGNJBTVXZSLTM-UHFFFAOYSA-N 0 3 305.378 2.080 20 5 DEBDHN Cc1cccc(CN2CC[C@@H](Nc3ncc([N+](=O)[O-])cn3)C2)c1 ZINC000601239520 359977457 /nfs/dbraw/zinc/97/74/57/359977457.db2.gz MHIZYOBGEYTJPW-CQSZACIVSA-N 0 3 313.361 2.380 20 5 DEBDHN CN(C)C1(CN(C)C(=O)c2c(F)cccc2[N+](=O)[O-])CCC1 ZINC000601514498 360060903 /nfs/dbraw/zinc/06/09/03/360060903.db2.gz JVWGIQYDKGABAO-UHFFFAOYSA-N 0 3 309.341 2.290 20 5 DEBDHN C[C@@H]1C[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)CN1C1CC1 ZINC000602567592 360436374 /nfs/dbraw/zinc/43/63/74/360436374.db2.gz HKDLRBOYUOFJFX-GHMZBOCLSA-N 0 3 316.361 2.451 20 5 DEBDHN O=[N+]([O-])c1cccc(CCNCc2cc3c(cn2)OCCO3)c1 ZINC000602581600 360442961 /nfs/dbraw/zinc/44/29/61/360442961.db2.gz VQRRPNIIYUZQFN-UHFFFAOYSA-N 0 3 315.329 2.093 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)CCOc1ccc(F)cc1 ZINC000602759136 360538847 /nfs/dbraw/zinc/53/88/47/360538847.db2.gz PNKVMWPGSXAGAF-UHFFFAOYSA-N 0 3 322.340 2.250 20 5 DEBDHN CCOC1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000604273838 360894321 /nfs/dbraw/zinc/89/43/21/360894321.db2.gz MIWQQWPRAKSUDH-UHFFFAOYSA-N 0 3 321.377 2.424 20 5 DEBDHN C[C@@H](NCc1ccc(CC(N)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000608982595 361276170 /nfs/dbraw/zinc/27/61/70/361276170.db2.gz VSIYXMUFRLHHNZ-GFCCVEGCSA-N 0 3 313.357 2.473 20 5 DEBDHN CC[C@H](CN1CCCC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000609833256 361341743 /nfs/dbraw/zinc/34/17/43/361341743.db2.gz FHBLDJBCKKZQSZ-CQSZACIVSA-N 0 3 305.378 2.128 20 5 DEBDHN CNc1ccc(C(=O)N(C)[C@H]2CCN(C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000610199250 361366975 /nfs/dbraw/zinc/36/69/75/361366975.db2.gz GQABDVZWNJYAII-RISCZKNCSA-N 0 3 320.393 2.049 20 5 DEBDHN CN(Cc1ccccc1)[C@@H]1CCN(c2c([N+](=O)[O-])ncn2C)C1 ZINC000610281996 361380011 /nfs/dbraw/zinc/38/00/11/361380011.db2.gz ULIYQRGWSCVLDN-CQSZACIVSA-N 0 3 315.377 2.039 20 5 DEBDHN O=C1[C@H](N2C[C@H]3CCC[C@@H]32)CCN1c1cccc([N+](=O)[O-])c1 ZINC000610762640 361461448 /nfs/dbraw/zinc/46/14/48/361461448.db2.gz JFGMLSGGRXFTDV-BYCMXARLSA-N 0 3 301.346 2.184 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](C)[C@H]1CN(C)CCO1 ZINC000611336913 361581443 /nfs/dbraw/zinc/58/14/43/361581443.db2.gz GRALZNAEPZQNMH-WOSRLPQWSA-N 0 3 307.394 2.273 20 5 DEBDHN CC[C@@H]1CN(C)CCCN1C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000619567048 363828184 /nfs/dbraw/zinc/82/81/84/363828184.db2.gz KWYDYOKILCYSLJ-OAHLLOKOSA-N 0 3 319.405 2.388 20 5 DEBDHN CO[C@@H]1[C@@H](C)[C@H](NCC(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC000271825582 209248109 /nfs/dbraw/zinc/24/81/09/209248109.db2.gz CZPKNKGZQLRHAS-NZVBXONLSA-N 0 3 321.377 2.182 20 5 DEBDHN CO[C@@H]1C[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1(C)C ZINC000451510739 243048704 /nfs/dbraw/zinc/04/87/04/243048704.db2.gz VPPAOGGXVNOCMK-CHWSQXEVSA-N 0 3 304.350 2.374 20 5 DEBDHN CN1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000093433877 193250666 /nfs/dbraw/zinc/25/06/66/193250666.db2.gz ZGCOPOZQLXHIGM-QMMMGPOBSA-N 0 3 315.171 2.116 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)c1 ZINC000268011597 206394974 /nfs/dbraw/zinc/39/49/74/206394974.db2.gz UVZOVMPQVLFKLM-NWDGAFQWSA-N 0 3 303.362 2.258 20 5 DEBDHN COC(=O)CC1(CN(C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000285240899 218347040 /nfs/dbraw/zinc/34/70/40/218347040.db2.gz GONWMTNMYDURNH-UHFFFAOYSA-N 0 3 306.362 2.412 20 5 DEBDHN CCOC(=O)[C@@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000059372819 184137686 /nfs/dbraw/zinc/13/76/86/184137686.db2.gz BIEUVQJJPUXQNS-CQSZACIVSA-N 0 3 306.362 2.412 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1CN(C)C ZINC000063705543 184287064 /nfs/dbraw/zinc/28/70/64/184287064.db2.gz CDKPNMNTXSMWSE-AWEZNQCLSA-N 0 3 305.378 2.460 20 5 DEBDHN COC[C@H](CCO)N[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417303050 533028942 /nfs/dbraw/zinc/02/89/42/533028942.db2.gz DBNWFEVDJYBLFQ-XJKSGUPXSA-N 0 3 308.378 2.349 20 5 DEBDHN COCC1(N[C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000540751894 285126139 /nfs/dbraw/zinc/12/61/39/285126139.db2.gz RTYDIESSTOCOHO-LLVKDONJSA-N 0 3 307.350 2.081 20 5 DEBDHN Cc1cc(NCCN2CCOCC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000272891948 210281671 /nfs/dbraw/zinc/28/16/71/210281671.db2.gz XZDPISUGRKZPPR-UHFFFAOYSA-N 0 3 316.361 2.196 20 5 DEBDHN C[C@@H]1C[C@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCN1C ZINC000157695425 197209126 /nfs/dbraw/zinc/20/91/26/197209126.db2.gz FLTVAROYGCKKAS-MWLCHTKSSA-N 0 3 311.769 2.461 20 5 DEBDHN Cc1c([C@@H](C)N[C@H](C)CN2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000155005655 197012673 /nfs/dbraw/zinc/01/26/73/197012673.db2.gz ZFVKZEUQHQJFDF-UKRRQHHQSA-N 0 3 320.437 2.190 20 5 DEBDHN COC[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000542526337 285231708 /nfs/dbraw/zinc/23/17/08/285231708.db2.gz VWCPRSIWFKRLMR-SMDDNHRTSA-N 0 3 309.366 2.182 20 5 DEBDHN C[C@@H](C(=O)NCCN1CC[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000542659196 285241381 /nfs/dbraw/zinc/24/13/81/285241381.db2.gz MJAGSRVQPLKCCB-NWDGAFQWSA-N 0 3 323.368 2.295 20 5 DEBDHN CCO[C@@H]1C[C@@H](N(C)CCn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC000120887200 195257632 /nfs/dbraw/zinc/25/76/32/195257632.db2.gz YUAQOHXFNWFHBY-ZIAGYGMSSA-N 0 3 308.382 2.071 20 5 DEBDHN Cc1ccc(C(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000120914549 195262546 /nfs/dbraw/zinc/26/25/46/195262546.db2.gz GTABZOVHLHFSSB-JSGCOSHPSA-N 0 3 305.378 2.315 20 5 DEBDHN COc1ccc(CNCCc2cccnc2OC)cc1[N+](=O)[O-] ZINC000289679113 221149370 /nfs/dbraw/zinc/14/93/70/221149370.db2.gz CKIAGCAOTJNINC-UHFFFAOYSA-N 0 3 317.345 2.339 20 5 DEBDHN CNc1ccc(C(=O)N[C@@H](C)C2=CCN(C)CC2)cc1[N+](=O)[O-] ZINC000543754383 285316407 /nfs/dbraw/zinc/31/64/07/285316407.db2.gz NHAKXMAJXZOPOR-NSHDSACASA-N 0 3 318.377 2.017 20 5 DEBDHN CN(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)Cc1ccccc1 ZINC000046708030 132483086 /nfs/dbraw/zinc/48/30/86/132483086.db2.gz UAUKHYWEEGKUMA-CYBMUJFWSA-N 0 3 317.345 2.091 20 5 DEBDHN C[C@H](NC(=O)N1CCN(C)CC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000355425351 133025926 /nfs/dbraw/zinc/02/59/26/133025926.db2.gz SXYLXGXBMZHDMN-OLZOCXBDSA-N 0 3 320.393 2.391 20 5 DEBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000356263169 133075704 /nfs/dbraw/zinc/07/57/04/133075704.db2.gz GKAQSPFSGRBVQC-NHYWBVRUSA-N 0 3 321.352 2.433 20 5 DEBDHN C[C@@H]1C[C@H](C)CN(CCn2cc(Cl)cc([N+](=O)[O-])c2=O)C1 ZINC000563438239 292057261 /nfs/dbraw/zinc/05/72/61/292057261.db2.gz DRRVKDMZYKUAFR-PHIMTYICSA-N 0 3 313.785 2.388 20 5 DEBDHN Cc1ccc([C@H](C)NCCN2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000246904827 145119341 /nfs/dbraw/zinc/11/93/41/145119341.db2.gz FOBIUPFVKSAETL-KBPBESRZSA-N 0 3 307.394 2.275 20 5 DEBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000247452031 145137865 /nfs/dbraw/zinc/13/78/65/145137865.db2.gz ZSANCRJDKRDTHS-HOCLYGCPSA-N 0 3 317.389 2.080 20 5 DEBDHN CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1NCCc2ccccc21 ZINC000261642209 145212872 /nfs/dbraw/zinc/21/28/72/145212872.db2.gz DXYXYUZOBHZMIN-AWEZNQCLSA-N 0 3 315.377 2.419 20 5 DEBDHN O=[N+]([O-])c1cnc(NC[C@@H]2CCN(Cc3ccccc3)C2)nc1 ZINC000309909297 145350252 /nfs/dbraw/zinc/35/02/52/145350252.db2.gz RIDMENCDNMSJRI-AWEZNQCLSA-N 0 3 313.361 2.319 20 5 DEBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)CN(C)C ZINC000346176818 146032032 /nfs/dbraw/zinc/03/20/32/146032032.db2.gz ZXIIPPQJZRLTKZ-JSGCOSHPSA-N 0 3 307.394 2.230 20 5 DEBDHN C[C@H]1[C@H](N2CCCC2)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000346189314 146034372 /nfs/dbraw/zinc/03/43/72/146034372.db2.gz LXCCDBJWXGRBAX-XHDPSFHLSA-N 0 3 321.352 2.433 20 5 DEBDHN COc1ccc(OCCN2CCN(C)[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000357064896 147033352 /nfs/dbraw/zinc/03/33/52/147033352.db2.gz JTTIXMJVTDEVKV-CHWSQXEVSA-N 0 3 323.393 2.007 20 5 DEBDHN O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@H](N2CCCC2)C1 ZINC000363043262 147615620 /nfs/dbraw/zinc/61/56/20/147615620.db2.gz YQTMRURRSAFLMK-NSHDSACASA-N 0 3 309.391 2.357 20 5 DEBDHN CCCCN(C)CCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000112309249 401737949 /nfs/dbraw/zinc/73/79/49/401737949.db2.gz NBLOYNRGVOAMFR-JXMROGBWSA-N 0 3 305.378 2.456 20 5 DEBDHN C[C@@H](C1CC1)N(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000029725698 401858252 /nfs/dbraw/zinc/85/82/52/401858252.db2.gz RYIHFZFOIIILOU-JTQLQIEISA-N 0 3 303.362 2.457 20 5 DEBDHN COc1ccc(OCCN2CCC[C@@H]([C@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000089932058 401974592 /nfs/dbraw/zinc/97/45/92/401974592.db2.gz SEBIZOSXZULBGC-QWHCGFSZSA-N 0 3 324.377 2.075 20 5 DEBDHN CN1CCC[C@H](CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000136997073 401976846 /nfs/dbraw/zinc/97/68/46/401976846.db2.gz JARGYLKWANMSRK-SNVBAGLBSA-N 0 3 311.769 2.320 20 5 DEBDHN CN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000068192564 402186891 /nfs/dbraw/zinc/18/68/91/402186891.db2.gz MCDHCAULWVYQAT-BQYQJAHWSA-N 0 3 303.362 2.161 20 5 DEBDHN C[C@H](N[C@@H](C)C1CCOCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000125507968 402236489 /nfs/dbraw/zinc/23/64/89/402236489.db2.gz KLGLCQGCIKBUBD-RYUDHWBXSA-N 0 3 321.377 2.327 20 5 DEBDHN O=C1C[C@@H]([C@H]2CCCCN2Cc2ccc([N+](=O)[O-])cc2F)CN1 ZINC000125555830 402238843 /nfs/dbraw/zinc/23/88/43/402238843.db2.gz TWAYUQQAAOKZRD-IUODEOHRSA-N 0 3 321.352 2.225 20 5 DEBDHN Cc1nc2n(n1)C[C@H](N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000160415547 402344939 /nfs/dbraw/zinc/34/49/39/402344939.db2.gz GCMQWLNWZPOPKW-BXUZGUMPSA-N 0 3 315.377 2.469 20 5 DEBDHN CCOC(=O)N1CC[C@@H](N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000186443061 402431481 /nfs/dbraw/zinc/43/14/81/402431481.db2.gz JTHSNFNUMKRPSL-DGCLKSJQSA-N 0 3 307.350 2.476 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)c1 ZINC000164092486 402459616 /nfs/dbraw/zinc/45/96/16/402459616.db2.gz ANNJSRYDJRTBHK-ZFWWWQNUSA-N 0 3 317.389 2.460 20 5 DEBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CCc3cccnc3)C2)nc1 ZINC000173466806 402699031 /nfs/dbraw/zinc/69/90/31/402699031.db2.gz MIGPZEHRHBTVHA-AWEZNQCLSA-N 0 3 313.361 2.114 20 5 DEBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000255913954 402699213 /nfs/dbraw/zinc/69/92/13/402699213.db2.gz LDFDZYCQKMGWHQ-DQOKEGCPSA-N 0 3 317.389 2.407 20 5 DEBDHN O=C(NCCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000192603540 402739747 /nfs/dbraw/zinc/73/97/47/402739747.db2.gz HOQOMIBLHISWNC-OAHLLOKOSA-N 0 3 303.362 2.088 20 5 DEBDHN CC(C)C(=O)NCCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192604665 402739930 /nfs/dbraw/zinc/73/99/30/402739930.db2.gz KIMJWWFSAMKRJC-OAHLLOKOSA-N 0 3 305.378 2.334 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@]1(O)CCSC1)CCC2 ZINC000192927503 402756875 /nfs/dbraw/zinc/75/68/75/402756875.db2.gz CYWQQZSWOYYLGX-LSDHHAIUSA-N 0 3 308.403 2.430 20 5 DEBDHN O=C1C[C@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CN1C1CC1 ZINC000193013478 402761057 /nfs/dbraw/zinc/76/10/57/402761057.db2.gz AGGZCCHAVRXDOG-LRDDRELGSA-N 0 3 315.373 2.325 20 5 DEBDHN COc1cc(C[NH2+]CCCOC(F)F)c([N+](=O)[O-])cc1[O-] ZINC000193668187 402774586 /nfs/dbraw/zinc/77/45/86/402774586.db2.gz ODWYDQNITLGQES-UHFFFAOYSA-N 0 3 306.265 2.028 20 5 DEBDHN C[C@@](NCCc1ccc([N+](=O)[O-])cc1)(C(N)=O)c1ccccc1 ZINC000195226811 402837780 /nfs/dbraw/zinc/83/77/80/402837780.db2.gz YCUMLQSHLMESBU-KRWDZBQOSA-N 0 3 313.357 2.128 20 5 DEBDHN C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)N1CCC[C@@H](C)C1 ZINC000175989732 402846409 /nfs/dbraw/zinc/84/64/09/402846409.db2.gz NOHGMSHGURSQBO-NEPJUHHUSA-N 0 3 320.393 2.027 20 5 DEBDHN Cc1ccc(N2C(=O)NC(CC(F)(F)F)C2=O)cc1[N+](=O)[O-] ZINC000278150533 402859997 /nfs/dbraw/zinc/85/99/97/402859997.db2.gz SOWOGFBOXBVAME-QMMMGPOBSA-N 0 3 317.223 2.280 20 5 DEBDHN C[C@@H]1OCC[C@]1(O)CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278757554 402870477 /nfs/dbraw/zinc/87/04/77/402870477.db2.gz KMLDTAYZQYLXGS-UVBJJODRSA-N 0 3 306.362 2.102 20 5 DEBDHN CN(C[C@H]1CCCN(C)C1)c1nc2sccn2c1[N+](=O)[O-] ZINC000265170623 402897835 /nfs/dbraw/zinc/89/78/35/402897835.db2.gz BFIABOBNXQVWMR-JTQLQIEISA-N 0 3 309.395 2.082 20 5 DEBDHN CNC(=O)C[C@@H](C)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000279504846 402949501 /nfs/dbraw/zinc/94/95/01/402949501.db2.gz MWTGYURDGABSRJ-MRVPVSSYSA-N 0 3 319.283 2.228 20 5 DEBDHN C[C@H]1CCC[C@@H]1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000279160796 402911013 /nfs/dbraw/zinc/91/10/13/402911013.db2.gz BELQJWHBGNLYRZ-FZMZJTMJSA-N 0 3 303.362 2.262 20 5 DEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](CN2CCOCC2)C1 ZINC000266760017 402989170 /nfs/dbraw/zinc/98/91/70/402989170.db2.gz SWDCMFBCHNMHIC-CABCVRRESA-N 0 3 319.405 2.310 20 5 DEBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000273386438 403000023 /nfs/dbraw/zinc/00/00/23/403000023.db2.gz CWJFMOJMTMDWPG-LLVKDONJSA-N 0 3 321.381 2.184 20 5 DEBDHN CN(C)[C@@]1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000267193800 403023770 /nfs/dbraw/zinc/02/37/70/403023770.db2.gz PFCFDCWJRQALGJ-CQSZACIVSA-N 0 3 324.406 2.154 20 5 DEBDHN CN(C)CCN(Cc1ccccc1F)c1ncc([N+](=O)[O-])cn1 ZINC000273699854 403026299 /nfs/dbraw/zinc/02/62/99/403026299.db2.gz CPBIAQUXLIVJOS-UHFFFAOYSA-N 0 3 319.340 2.092 20 5 DEBDHN CC[C@@H]1CN([C@@H](C)c2ccccc2[N+](=O)[O-])CCN1C[C@H](C)O ZINC000266544508 402972824 /nfs/dbraw/zinc/97/28/24/402972824.db2.gz RMIIGALDHHYYEV-SOUVJXGZSA-N 0 3 321.421 2.433 20 5 DEBDHN C[C@H]1CN(C2CC2)C[C@@H]1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000268155178 403055347 /nfs/dbraw/zinc/05/53/47/403055347.db2.gz NIAMLBIORPQLQG-ZANVPECISA-N 0 3 306.322 2.398 20 5 DEBDHN CN(CCN(C)C1CC1)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000274593270 403070180 /nfs/dbraw/zinc/07/01/80/403070180.db2.gz RGLUCDWJTKEUER-UHFFFAOYSA-N 0 3 311.769 2.414 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1NCCN1CCN(C)C(C)(C)C1 ZINC000281771737 403090041 /nfs/dbraw/zinc/09/00/41/403090041.db2.gz ZQVNSQKSFBLMBI-UHFFFAOYSA-N 0 3 306.410 2.341 20 5 DEBDHN CC(C)COC[C@@H](O)CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282388081 403149092 /nfs/dbraw/zinc/14/90/92/403149092.db2.gz GOJFDMOZVMXSDZ-INIZCTEOSA-N 0 3 310.394 2.103 20 5 DEBDHN COCCN1CC[C@H](Nc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000276597875 403190292 /nfs/dbraw/zinc/19/02/92/403190292.db2.gz KDOVUODQAPJYTL-ZDUSSCGKSA-N 0 3 316.361 2.276 20 5 DEBDHN C[C@@H](CN(C)C)NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292131062 403301242 /nfs/dbraw/zinc/30/12/42/403301242.db2.gz XTTRSZDEQPOUHT-NSHDSACASA-N 0 3 308.382 2.079 20 5 DEBDHN Cc1cc([N+](=O)[O-])cc(C(=O)N(CCN(C)C)C(C)C)c1F ZINC000284365489 403266622 /nfs/dbraw/zinc/26/66/22/403266622.db2.gz ZNSGEBFSRDZAAS-UHFFFAOYSA-N 0 3 311.357 2.455 20 5 DEBDHN C[C@@H]1[C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCCN1C ZINC000345329994 403288637 /nfs/dbraw/zinc/28/86/37/403288637.db2.gz WITROBAGOCBCDT-PWSUYJOCSA-N 0 3 316.361 2.289 20 5 DEBDHN C[C@H]1[C@@H](Nc2ncnc3sc([N+](=O)[O-])cc32)CCCN1C ZINC000342834932 403366319 /nfs/dbraw/zinc/36/63/19/403366319.db2.gz LYSSWQABAGXUIL-WPRPVWTQSA-N 0 3 307.379 2.494 20 5 DEBDHN C[C@H]1CCC[C@H]1NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000331605395 403428587 /nfs/dbraw/zinc/42/85/87/403428587.db2.gz HZXHIOWVZUGWNF-VHSXEESVSA-N 0 3 321.333 2.040 20 5 DEBDHN CCN1CCN(CCNc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000298471017 403389502 /nfs/dbraw/zinc/38/95/02/403389502.db2.gz PPPJTVMSWMUZKU-UHFFFAOYSA-N 0 3 312.801 2.298 20 5 DEBDHN COc1ccc(CNCC2([C@H](O)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000345698696 403442522 /nfs/dbraw/zinc/44/25/22/403442522.db2.gz HFIWPKVHVDHYHT-OAHLLOKOSA-N 0 3 308.378 2.490 20 5 DEBDHN Cc1c(CN[C@@H](C2CC2)[C@]2(CO)CCCO2)cccc1[N+](=O)[O-] ZINC000339769539 403443281 /nfs/dbraw/zinc/44/32/81/403443281.db2.gz NPKYOTHEVIMIBM-DLBZAZTESA-N 0 3 320.389 2.313 20 5 DEBDHN C[C@@H]1C[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCN1C ZINC000332125460 403491632 /nfs/dbraw/zinc/49/16/32/403491632.db2.gz CYEMOKDYUZKFSP-ZYHUDNBSSA-N 0 3 316.361 2.289 20 5 DEBDHN Cc1noc(C)c1CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000331687603 403452897 /nfs/dbraw/zinc/45/28/97/403452897.db2.gz VVELWJSZJCUDQS-UHFFFAOYSA-N 0 3 319.365 2.276 20 5 DEBDHN NC(=O)c1cccc(NC[C@H]2CCCCN2C2CC2)c1[N+](=O)[O-] ZINC000343089079 403458594 /nfs/dbraw/zinc/45/85/94/403458594.db2.gz CJPRJVYSJQDEFL-GFCCVEGCSA-N 0 3 318.377 2.123 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000332036420 403466817 /nfs/dbraw/zinc/46/68/17/403466817.db2.gz WWTJMSVTYIPRLY-CZUORRHYSA-N 0 3 317.389 2.378 20 5 DEBDHN Cc1nc([C@H]2CCCN(Cc3ccccc3[N+](=O)[O-])C2)n[nH]1 ZINC000332241804 403527148 /nfs/dbraw/zinc/52/71/48/403527148.db2.gz ANSJTNYRUNCOOW-ZDUSSCGKSA-N 0 3 301.350 2.401 20 5 DEBDHN Cc1n[nH]c([C@H]2CCCN(Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC000332241804 403527149 /nfs/dbraw/zinc/52/71/49/403527149.db2.gz ANSJTNYRUNCOOW-ZDUSSCGKSA-N 0 3 301.350 2.401 20 5 DEBDHN Cc1nnc([C@H]2CCCN(Cc3ccccc3[N+](=O)[O-])C2)[nH]1 ZINC000332241804 403527151 /nfs/dbraw/zinc/52/71/51/403527151.db2.gz ANSJTNYRUNCOOW-ZDUSSCGKSA-N 0 3 301.350 2.401 20 5 DEBDHN CN1CCN(CCNc2c(F)cccc2[N+](=O)[O-])CC1(C)C ZINC000286447777 403529174 /nfs/dbraw/zinc/52/91/74/403529174.db2.gz MWHYFUUFXGDGHA-UHFFFAOYSA-N 0 3 310.373 2.172 20 5 DEBDHN Cc1c(CN[C@H](C)C(C)(C)n2cncn2)cccc1[N+](=O)[O-] ZINC000340507166 403631349 /nfs/dbraw/zinc/63/13/49/403631349.db2.gz MVGMYVOUIKFWCG-GFCCVEGCSA-N 0 3 303.366 2.408 20 5 DEBDHN C[C@@H](CN(C)C)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000294062783 403636354 /nfs/dbraw/zinc/63/63/54/403636354.db2.gz QDDPPGLGKQMAQV-QMMMGPOBSA-N 0 3 319.283 2.294 20 5 DEBDHN CCN1CCN([C@@H](C)CNc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000301496238 403638054 /nfs/dbraw/zinc/63/80/54/403638054.db2.gz BDOYIVGYKRCHGL-AWEZNQCLSA-N 0 3 306.410 2.341 20 5 DEBDHN C[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CCN(C2CC2)C1 ZINC000295224872 403803262 /nfs/dbraw/zinc/80/32/62/403803262.db2.gz AZAURSVJZKNESB-ZDUSSCGKSA-N 0 3 317.389 2.080 20 5 DEBDHN COc1ccc(OCCN2CC[C@@H](CO)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000344177809 403959968 /nfs/dbraw/zinc/95/99/68/403959968.db2.gz SJAPLTVARUPVBW-CHWSQXEVSA-N 0 3 324.377 2.075 20 5 DEBDHN CCOC1CC(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000351877463 403980509 /nfs/dbraw/zinc/98/05/09/403980509.db2.gz PNMMAMZVVHCGQK-OWYJLGKBSA-N 0 3 320.393 2.291 20 5 DEBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@H](c3ccncc3)C2)c1 ZINC000295692036 404005995 /nfs/dbraw/zinc/00/59/95/404005995.db2.gz DKLFKJYBMCKYPH-AWEZNQCLSA-N 0 3 301.350 2.066 20 5 DEBDHN CN(C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000411949474 404028676 /nfs/dbraw/zinc/02/86/76/404028676.db2.gz RTRAZHTYDPYTTK-HRCADAONSA-N 0 3 317.389 2.251 20 5 DEBDHN CC1(C)C[C@@H](O)CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000295978765 404036855 /nfs/dbraw/zinc/03/68/55/404036855.db2.gz JCKPBYJTXQBSOG-GJZGRUSLSA-N 0 3 308.378 2.111 20 5 DEBDHN C[C@@H](O)c1ncc(CNCCc2cccc([N+](=O)[O-])c2)s1 ZINC000290478299 404185633 /nfs/dbraw/zinc/18/56/33/404185633.db2.gz VFYYBUOMIZJBFL-SNVBAGLBSA-N 0 3 307.375 2.437 20 5 DEBDHN C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCCN1C ZINC000412239024 404205228 /nfs/dbraw/zinc/20/52/28/404205228.db2.gz BDXKDAURTGSTFV-KSYCFECVSA-N 0 3 317.389 2.297 20 5 DEBDHN CC[C@H]1CCCCN1CCNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000342129476 404387187 /nfs/dbraw/zinc/38/71/87/404387187.db2.gz NGRNHWIRYMGXRH-LBPRGKRZSA-N 0 3 320.393 2.370 20 5 DEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@@H]1CCS(=O)(=O)C1 ZINC000344841884 404400234 /nfs/dbraw/zinc/40/02/34/404400234.db2.gz DVPSGKQPMLOABL-GMMCIKNFSA-N 0 3 324.402 2.022 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(NCCN2CCN(C)C(C)(C)C2)c1 ZINC000338716195 404495656 /nfs/dbraw/zinc/49/56/56/404495656.db2.gz NKNLZLDAGXOWBB-UHFFFAOYSA-N 0 3 322.409 2.041 20 5 DEBDHN C[C@@H]1[C@@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCCN1C ZINC000345006826 404496111 /nfs/dbraw/zinc/49/61/11/404496111.db2.gz LLZFPWZQEXKSAI-PWSUYJOCSA-N 0 3 316.361 2.289 20 5 DEBDHN CCS(=O)(=O)CCCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000342348113 404524350 /nfs/dbraw/zinc/52/43/50/404524350.db2.gz XPMWGRVWVIRZOM-LBPRGKRZSA-N 0 3 314.407 2.379 20 5 DEBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](C)C(=O)NC ZINC000291871276 404559193 /nfs/dbraw/zinc/55/91/93/404559193.db2.gz INVMQMCUHKRPIK-WDEREUQCSA-N 0 3 311.407 2.190 20 5 DEBDHN C[C@H](NC(=O)N1CCCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000297816860 404632053 /nfs/dbraw/zinc/63/20/53/404632053.db2.gz ZBNAHNQKOHGWGY-LBPRGKRZSA-N 0 3 306.366 2.003 20 5 DEBDHN C[C@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CCN1C ZINC000351604097 404666721 /nfs/dbraw/zinc/66/67/21/404666721.db2.gz DCTVFHADJHFEBM-UWVGGRQHSA-N 0 3 310.329 2.338 20 5 DEBDHN COc1c(C(=O)N[C@@H]2CCCN(C(C)C)C2)cccc1[N+](=O)[O-] ZINC000356812765 404698918 /nfs/dbraw/zinc/69/89/18/404698918.db2.gz LOZQDHZKEPXMOU-GFCCVEGCSA-N 0 3 321.377 2.206 20 5 DEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC(C3CCCC3)C2)c1 ZINC000366502551 404804912 /nfs/dbraw/zinc/80/49/12/404804912.db2.gz FPTICJVZUBQGRF-INIZCTEOSA-N 0 3 320.389 2.457 20 5 DEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H](C)NC[C@H]1C ZINC000415733091 404925485 /nfs/dbraw/zinc/92/54/85/404925485.db2.gz AQLKGGQBXNEOBT-WDEREUQCSA-N 0 3 306.366 2.371 20 5 DEBDHN C[C@H](NC(=O)N1C[C@@H](C)NC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000417128062 405043706 /nfs/dbraw/zinc/04/37/06/405043706.db2.gz HQQGRXMVBODXEQ-WOPDTQHZSA-N 0 3 306.366 2.048 20 5 DEBDHN C[C@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])N1CCCC[C@H]1C ZINC000354401883 405195499 /nfs/dbraw/zinc/19/54/99/405195499.db2.gz XPRVUSDXXKKCSO-VXGBXAGGSA-N 0 3 320.393 2.170 20 5 DEBDHN C[C@@H]1CN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H](C)[C@H]1C ZINC000419338113 405241544 /nfs/dbraw/zinc/24/15/44/405241544.db2.gz BWHSZWUSUXUCJY-AGIUHOORSA-N 0 3 317.389 2.460 20 5 DEBDHN Cc1nnsc1CN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000426332787 405351547 /nfs/dbraw/zinc/35/15/47/405351547.db2.gz FFWWCQSXIAPZMJ-WDEREUQCSA-N 0 3 322.394 2.225 20 5 DEBDHN CN(C[C@H]1CCCN1C)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000421130636 405450412 /nfs/dbraw/zinc/45/04/12/405450412.db2.gz YRUPZCDPFZZQTG-GFCCVEGCSA-N 0 3 310.329 2.292 20 5 DEBDHN COc1cc(C[NH2+]CCCC2(O)CCC2)c([N+](=O)[O-])cc1[O-] ZINC000421367176 405475393 /nfs/dbraw/zinc/47/53/93/405475393.db2.gz DSIVCTQNBPYFGF-UHFFFAOYSA-N 0 3 310.350 2.094 20 5 DEBDHN CN(C)CC(C)(C)NC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000493787475 405556982 /nfs/dbraw/zinc/55/69/82/405556982.db2.gz VMTNSUIIRIAKLA-SOFGYWHQSA-N 0 3 309.341 2.204 20 5 DEBDHN CN(C[C@@H]1CCCN1C)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000493803338 405566732 /nfs/dbraw/zinc/56/67/32/405566732.db2.gz OFVANRCAZUEICG-XMELGKRDSA-N 0 3 303.362 2.161 20 5 DEBDHN CO[C@H]1COCC[C@H]1CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000449463011 405572206 /nfs/dbraw/zinc/57/22/06/405572206.db2.gz VVTZHLPKTRDWAS-FZMZJTMJSA-N 0 3 314.769 2.389 20 5 DEBDHN O=C1CC[C@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])[C@@H](C2CC2)N1 ZINC000582370204 405716029 /nfs/dbraw/zinc/71/60/29/405716029.db2.gz JASXRQRDPHCWKE-JKIFEVAISA-N 0 3 315.373 2.229 20 5 DEBDHN CC(C)[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])CCN1C ZINC000487984067 406281881 /nfs/dbraw/zinc/28/18/81/406281881.db2.gz ADIOLNFAPMTGKX-OAHLLOKOSA-N 0 3 307.394 2.246 20 5 DEBDHN C[C@H]1CCN(CCNC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000524774995 406459175 /nfs/dbraw/zinc/45/91/75/406459175.db2.gz LYPUUKNEEKPLEH-LBPRGKRZSA-N 0 3 323.418 2.145 20 5 DEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCc2cccc(F)c2)c1 ZINC000550190924 406599878 /nfs/dbraw/zinc/59/98/78/406599878.db2.gz VGRPPFMQLCRHLR-OAHLLOKOSA-N 0 3 320.320 2.263 20 5 DEBDHN CN(C(=O)/C=C\c1ccccc1[N+](=O)[O-])[C@H]1CN2CCC1CC2 ZINC000491799589 406726173 /nfs/dbraw/zinc/72/61/73/406726173.db2.gz VCLJRUUVAKUFBB-WLMCBFPDSA-N 0 3 315.373 2.161 20 5 DEBDHN O=[N+]([O-])c1cnc(N[C@@H]2CCCN(Cc3ccccc3)C2)nc1 ZINC000132826135 196287779 /nfs/dbraw/zinc/28/77/79/196287779.db2.gz BMBOBIPXRJIKPL-CQSZACIVSA-N 0 3 313.361 2.461 20 5 DEBDHN COc1ccc(CN[C@@H]2CCN(CC(F)F)C2)cc1[N+](=O)[O-] ZINC000418139215 229238442 /nfs/dbraw/zinc/23/84/42/229238442.db2.gz UFSYEAHYCHKVTA-LLVKDONJSA-N 0 3 315.320 2.032 20 5 DEBDHN C[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(N)=O ZINC000102420370 424847805 /nfs/dbraw/zinc/84/78/05/424847805.db2.gz ITKURGLHCJPOBP-SECBINFHSA-N 0 3 305.359 2.287 20 5 DEBDHN CN(C)[C@H](CNc1ncc([N+](=O)[O-])s1)Cc1ccccc1 ZINC000443409244 425043802 /nfs/dbraw/zinc/04/38/02/425043802.db2.gz KBRSHKZEUOUUGO-LBPRGKRZSA-N 0 3 306.391 2.636 20 5 DEBDHN CCCCN1CCCC[C@H]1CNc1ncc([N+](=O)[O-])c(C)n1 ZINC000450295543 425068249 /nfs/dbraw/zinc/06/82/49/425068249.db2.gz YZHCEQRPQHCYIG-ZDUSSCGKSA-N 0 3 307.398 2.760 20 5 DEBDHN COc1cccc(NC2CCN([C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000363701421 269071470 /nfs/dbraw/zinc/07/14/70/269071470.db2.gz MWZFUUSQVUFCDG-CYBMUJFWSA-N 0 3 321.377 2.269 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1CN1CCN(C2CCC2)CC1 ZINC000430192123 269125858 /nfs/dbraw/zinc/12/58/58/269125858.db2.gz ADSOKQIEVRWPCQ-UHFFFAOYSA-N 0 3 305.378 2.274 20 5 DEBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](CN2CCOC2=O)C1 ZINC000496952276 269270234 /nfs/dbraw/zinc/27/02/34/269270234.db2.gz ZIUMSODEYNBDPS-QWHCGFSZSA-N 0 3 319.361 2.430 20 5 DEBDHN C[C@H](N[C@H]1CSC[C@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000507213917 269315863 /nfs/dbraw/zinc/31/58/63/269315863.db2.gz QRSGOUBXFANSEM-NRUUGDAUSA-N 0 3 309.391 2.263 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000295534513 281256979 /nfs/dbraw/zinc/25/69/79/281256979.db2.gz KAONLAYYUWMVSD-GFCCVEGCSA-N 0 3 317.389 2.460 20 5 DEBDHN CN(C)C1(CN(C)C(=O)c2ccc(F)cc2[N+](=O)[O-])CCC1 ZINC000188000899 282026415 /nfs/dbraw/zinc/02/64/15/282026415.db2.gz DFYRVMVPMJQRBI-UHFFFAOYSA-N 0 3 309.341 2.290 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1CCCCN1C ZINC001350084280 1151322806 /nfs/dbraw/zinc/32/28/06/1151322806.db2.gz PZFWWNZZUDMXEA-LBPRGKRZSA-N 0 3 322.365 2.209 20 5 DEBDHN C[C@H](C(=O)NCC1=CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000575229943 326230351 /nfs/dbraw/zinc/23/03/51/326230351.db2.gz YOVFBKOQETUCQW-LBPRGKRZSA-N 0 3 303.362 2.076 20 5 DEBDHN COCCN(CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000337328853 523690231 /nfs/dbraw/zinc/69/02/31/523690231.db2.gz ZCUUZZPTSZAQTK-UHFFFAOYSA-N 0 3 307.350 2.034 20 5 DEBDHN C[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)N1[C@H](C)CC[C@H]1C ZINC000249757849 526079707 /nfs/dbraw/zinc/07/97/07/526079707.db2.gz VMRMHBZOWLMVOG-JHJVBQTASA-N 0 3 305.378 2.472 20 5 DEBDHN CCOc1ccc([C@@H](C)NCCc2ncn(C)n2)cc1[N+](=O)[O-] ZINC000358409135 535412277 /nfs/dbraw/zinc/41/22/77/535412277.db2.gz VZASCMRLUFSXLC-LLVKDONJSA-N 0 3 319.365 2.015 20 5 DEBDHN C[C@H]1CN(CCCCNc2ccc(N)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000283950864 537704101 /nfs/dbraw/zinc/70/41/01/537704101.db2.gz YJKUYDLRERIJEF-STQMWFEESA-N 0 3 322.409 2.478 20 5 DEBDHN O=[N+]([O-])c1ccccc1CC[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC000823647148 599453049 /nfs/dbraw/zinc/45/30/49/599453049.db2.gz HAVUDRXEQSLPLM-UHFFFAOYSA-N 0 3 324.344 2.107 20 5 DEBDHN O=[N+]([O-])c1ccccc1CC[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000823647148 599453051 /nfs/dbraw/zinc/45/30/51/599453051.db2.gz HAVUDRXEQSLPLM-UHFFFAOYSA-N 0 3 324.344 2.107 20 5 DEBDHN O=[N+]([O-])c1cccc(CC[NH2+]Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826499815 607978028 /nfs/dbraw/zinc/97/80/28/607978028.db2.gz YSRUNWFNWDWULI-UHFFFAOYSA-N 0 3 324.344 2.107 20 5 DEBDHN O=[N+]([O-])c1cccc(CC[NH2+]Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826499815 607978029 /nfs/dbraw/zinc/97/80/29/607978029.db2.gz YSRUNWFNWDWULI-UHFFFAOYSA-N 0 3 324.344 2.107 20 5 DEBDHN Cc1ccc(C(=O)N[C@@]2(C)CN3CCC2CC3)cc1[N+](=O)[O-] ZINC000892798753 625615484 /nfs/dbraw/zinc/61/54/84/625615484.db2.gz JBSZNIWNTPPFCH-INIZCTEOSA-N 0 3 303.362 2.117 20 5 DEBDHN C[C@]1(NCCn2cc([N+](=O)[O-])cn2)CCOc2ccccc21 ZINC000933368925 624191120 /nfs/dbraw/zinc/19/11/20/624191120.db2.gz NCUVFSPROSKENO-HNNXBMFYSA-N 0 3 302.334 2.079 20 5 DEBDHN C[C@@H](NC(=O)N(C)[C@H]1CCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000892113115 624785423 /nfs/dbraw/zinc/78/54/23/624785423.db2.gz WKNVDKROMGIKIX-DOMZBBRYSA-N 0 3 320.393 2.391 20 5 DEBDHN O=C(N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1)C1=CCCC1 ZINC001020067489 625031505 /nfs/dbraw/zinc/03/15/05/625031505.db2.gz VEEYSKCVPOASCU-SHTZXODSSA-N 0 3 315.373 2.442 20 5 DEBDHN COc1c([O-])ccc(C[NH2+]CCc2ccc(C)nc2)c1[N+](=O)[O-] ZINC000892951807 625778813 /nfs/dbraw/zinc/77/88/13/625778813.db2.gz SPRWIEOOEKPIHL-UHFFFAOYSA-N 0 3 317.345 2.345 20 5 DEBDHN O=C(CC1CC1)N[C@H]1C[C@H](CNCc2csc([N+](=O)[O-])c2)C1 ZINC000982997818 636571507 /nfs/dbraw/zinc/57/15/07/636571507.db2.gz MKVSJDGPTFMDFA-AULYBMBSSA-N 0 3 323.418 2.441 20 5 DEBDHN C[C@H](N[C@@H](C)[C@H]1CCS(=O)(=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000894658340 637151250 /nfs/dbraw/zinc/15/12/50/637151250.db2.gz VNOREUPJNNEEPE-GVXVVHGQSA-N 0 3 312.391 2.069 20 5 DEBDHN CC(C)N1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000839440407 637878354 /nfs/dbraw/zinc/87/83/54/637878354.db2.gz RRYPOVAVDKSMQR-GFCCVEGCSA-N 0 3 309.341 2.289 20 5 DEBDHN O=[N+]([O-])c1ccc(Cl)c(CN[C@H]2CNCCC2(F)F)c1 ZINC000841073974 650422983 /nfs/dbraw/zinc/42/29/83/650422983.db2.gz AQMOARYYRFHLNF-NSHDSACASA-N 0 3 305.712 2.335 20 5 DEBDHN Cc1cc(NCCO[C@@H]2CCOC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000896478313 638543444 /nfs/dbraw/zinc/54/34/44/638543444.db2.gz UTUUFUGINZYDIG-CYBMUJFWSA-N 0 3 317.345 2.091 20 5 DEBDHN C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)[C@H](C)CN1 ZINC000841102404 650431410 /nfs/dbraw/zinc/43/14/10/650431410.db2.gz BPCDOOKPGAGRCA-RKDXNWHRSA-N 0 3 312.757 2.462 20 5 DEBDHN Cc1nn(CN2CCC[C@@H]2C[C@@H](C)O)c2ccc([N+](=O)[O-])cc12 ZINC000752812866 639223230 /nfs/dbraw/zinc/22/32/30/639223230.db2.gz OGNDLOKCKCVGDG-DGCLKSJQSA-N 0 3 318.377 2.446 20 5 DEBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@H](CCO)c2cccs2)c1 ZINC000754383247 639422926 /nfs/dbraw/zinc/42/29/26/639422926.db2.gz DOVCATGJLBXTGH-KGLIPLIRSA-N 0 3 322.386 2.403 20 5 DEBDHN C[C@@H](NCC(C)(C)CS(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000926952954 641533358 /nfs/dbraw/zinc/53/33/58/641533358.db2.gz FEOPKSSPVTYSIG-LLVKDONJSA-N 0 3 314.407 2.316 20 5 DEBDHN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1nc2cc(Cl)ccc2[nH]1 ZINC000842304790 650701960 /nfs/dbraw/zinc/70/19/60/650701960.db2.gz LTRQRLJBZDCIPU-AZTOOPQRSA-N 0 3 309.709 2.486 20 5 DEBDHN CN(CCc1nccs1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776593318 642190440 /nfs/dbraw/zinc/19/04/40/642190440.db2.gz GWIQOFMRVONWRD-ZDUSSCGKSA-N 0 3 307.375 2.259 20 5 DEBDHN CCN1C[C@H](C)N(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000776597441 642191156 /nfs/dbraw/zinc/19/11/56/642191156.db2.gz MBWVOUDOUNSEAO-DVOMOZLQSA-N 0 3 307.394 2.043 20 5 DEBDHN CCCNC(=O)CCN[C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903072654 643246972 /nfs/dbraw/zinc/24/69/72/643246972.db2.gz FLFWZNKZXKULEL-LLVKDONJSA-N 0 3 309.366 2.170 20 5 DEBDHN CCc1nncn1CCN[C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903102689 643249373 /nfs/dbraw/zinc/24/93/73/643249373.db2.gz ATRWRGKPWVVYOG-NSHDSACASA-N 0 3 319.365 2.108 20 5 DEBDHN CC(COC(=O)C1(CC(=O)OC(C)(C)C)CCC1)[N+](=O)[O-] ZINC000842801794 650828932 /nfs/dbraw/zinc/82/89/32/650828932.db2.gz MAEKEFNFXFALIZ-JTQLQIEISA-N 0 3 301.339 2.097 20 5 DEBDHN CC(COC(=O)c1ccc(CN2CCCCC2=O)cc1)[N+](=O)[O-] ZINC000813103733 646728666 /nfs/dbraw/zinc/72/86/66/646728666.db2.gz GQEVTYAWPUYMMF-LBPRGKRZSA-N 0 3 320.345 2.021 20 5 DEBDHN CC(COC(=O)[C@@H]1CCN(c2ccccc2Cl)C1)[N+](=O)[O-] ZINC000813106403 646729815 /nfs/dbraw/zinc/72/98/15/646729815.db2.gz CNEKLHRUILQTKT-GHMZBOCLSA-N 0 3 312.753 2.375 20 5 DEBDHN CC(COC(=O)COc1ccc(Cl)c2cccnc12)[N+](=O)[O-] ZINC000813109603 646730529 /nfs/dbraw/zinc/73/05/29/646730529.db2.gz UQKXVJKBDPPKEW-VIFPVBQESA-N 0 3 324.720 2.475 20 5 DEBDHN Cc1cc(C)n(-c2ccc(CC(=O)OCC(C)[N+](=O)[O-])cc2)n1 ZINC000813112456 646731086 /nfs/dbraw/zinc/73/10/86/646731086.db2.gz QBWOGIJGZWQPQS-ZDUSSCGKSA-N 0 3 317.345 2.240 20 5 DEBDHN Cc1nn(-c2ccccc2)c(C)c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813110738 646731222 /nfs/dbraw/zinc/73/12/22/646731222.db2.gz IJONPOVVTCJNKF-SNVBAGLBSA-N 0 3 303.318 2.311 20 5 DEBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1-c1ccccc1C ZINC000813112566 646731561 /nfs/dbraw/zinc/73/15/61/646731561.db2.gz IMTHSAROUBNNOU-LLVKDONJSA-N 0 3 303.318 2.311 20 5 DEBDHN CC(COC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1)[N+](=O)[O-] ZINC000813113776 646732476 /nfs/dbraw/zinc/73/24/76/646732476.db2.gz VNCLKYSSEKTJFQ-GBIKHYSHSA-N 0 3 306.318 2.103 20 5 DEBDHN CC(C)[C@H]1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000815313148 647000730 /nfs/dbraw/zinc/00/07/30/647000730.db2.gz WPVBCJAUSQJGBE-HZPDHXFCSA-N 0 3 308.378 2.375 20 5 DEBDHN CC(COC(=O)c1cccc(F)c1Br)[N+](=O)[O-] ZINC000816091285 647090207 /nfs/dbraw/zinc/09/02/07/647090207.db2.gz QSVYQQPJMKVRED-LURJTMIESA-N 0 3 306.087 2.410 20 5 DEBDHN CN1C[C@H]2CCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])[C@H]2C1 ZINC000816949739 647203714 /nfs/dbraw/zinc/20/37/14/647203714.db2.gz CSECMTDIXMDUDJ-RNCFNFMXSA-N 0 3 309.753 2.024 20 5 DEBDHN O=[N+]([O-])c1ccc([C@H](O)CNCc2ccc(CO)c(F)c2)cc1 ZINC000819166502 647599346 /nfs/dbraw/zinc/59/93/46/647599346.db2.gz WESGORWMLDVDGB-MRXNPFEDSA-N 0 3 320.320 2.049 20 5 DEBDHN CC(C)[C@@H]1CN(C)CCN1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000153679939 647601630 /nfs/dbraw/zinc/60/16/30/647601630.db2.gz FQTBDOHZAMCZDJ-INIZCTEOSA-N 0 3 317.393 2.174 20 5 DEBDHN O=[N+]([O-])c1ccc2[nH]c(CNCC3(O)CCCCC3)nc2c1 ZINC000819268080 647621830 /nfs/dbraw/zinc/62/18/30/647621830.db2.gz ZPDGEPQBUAAULC-UHFFFAOYSA-N 0 3 304.350 2.256 20 5 DEBDHN O=[N+]([O-])c1ccc([C@H](O)CN[C@H]2COCc3ccccc32)cc1 ZINC000819373980 647645774 /nfs/dbraw/zinc/64/57/74/647645774.db2.gz KKQHLJRUVCSEDH-DLBZAZTESA-N 0 3 314.341 2.489 20 5 DEBDHN O=[N+]([O-])c1cccnc1NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000917064516 647962932 /nfs/dbraw/zinc/96/29/32/647962932.db2.gz YFEWPEFLFNBGBR-ZDUSSCGKSA-N 0 3 306.366 2.045 20 5 DEBDHN CO[C@@H]1CC[C@@H](N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000821349478 648040741 /nfs/dbraw/zinc/04/07/41/648040741.db2.gz XCQUIJSAARQMGR-ZIAGYGMSSA-N 0 3 305.378 2.284 20 5 DEBDHN Cc1ccc([C@H](C)NC(=O)N[C@@H]2CCN(C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000921336871 648292279 /nfs/dbraw/zinc/29/22/79/648292279.db2.gz YXXMVXWOPTZWSF-OUCADQQQSA-N 0 3 320.393 2.356 20 5 DEBDHN C[C@@H]1[C@@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CCN1C ZINC000925335380 648319589 /nfs/dbraw/zinc/31/95/89/648319589.db2.gz MVUQQYXBDYUCKY-YPMHNXCESA-N 0 3 320.393 2.222 20 5 DEBDHN CCCN1CC[C@H](NC(=O)c2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000824681247 648634537 /nfs/dbraw/zinc/63/45/37/648634537.db2.gz JILOJCNYPVPEKY-ZDUSSCGKSA-N 0 3 305.378 2.426 20 5 DEBDHN CO[C@H](CNCc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CCOC1 ZINC000826822188 648931906 /nfs/dbraw/zinc/93/19/06/648931906.db2.gz MQTQHLARABMPOJ-BXUZGUMPSA-N 0 3 314.769 2.389 20 5 DEBDHN CN1CC[C@@H]2CN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000834315092 649780356 /nfs/dbraw/zinc/78/03/56/649780356.db2.gz VQAYKGDSIMKYGI-MFKMUULPSA-N 0 3 309.753 2.024 20 5 DEBDHN CC([C@@H](OC(=O)[C@H]1CCC(=O)C1)c1ccccc1F)[N+](=O)[O-] ZINC000845875786 651291292 /nfs/dbraw/zinc/29/12/92/651291292.db2.gz CKQDCVOEGLMVKY-ISTVAULSSA-N 0 3 309.293 2.444 20 5 DEBDHN CC(C)[C@@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CCN1 ZINC000856485262 651940203 /nfs/dbraw/zinc/94/02/03/651940203.db2.gz WABNKJVOLIJTDU-PXTSUWAFSA-N 0 3 303.362 2.064 20 5 DEBDHN C[C@H](O)[C@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000853135394 652508108 /nfs/dbraw/zinc/50/81/08/652508108.db2.gz WOEPJKVFQSRZPA-ZLIFDBKOSA-N 0 3 316.357 2.340 20 5 DEBDHN COCCC1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000859400735 685722303 /nfs/dbraw/zinc/72/23/03/685722303.db2.gz MBFQUGASVYKEAD-INIZCTEOSA-N 0 3 308.378 2.377 20 5 DEBDHN COc1ccc(CC(=O)OCC(C)[N+](=O)[O-])cc1OC(F)F ZINC000860777349 685960031 /nfs/dbraw/zinc/96/00/31/685960031.db2.gz NSYHIWRASZVGOL-QMMMGPOBSA-N 0 3 319.260 2.048 20 5 DEBDHN CCN(C(=O)c1cc(F)ccc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000861894499 686201253 /nfs/dbraw/zinc/20/12/53/686201253.db2.gz FBNDDSJZXJULDP-UHFFFAOYSA-N 0 3 309.341 2.290 20 5 DEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000862546439 686319477 /nfs/dbraw/zinc/31/94/77/686319477.db2.gz MNMNAZGCLHZJLE-RVJOUVGOSA-N 0 3 302.330 2.103 20 5 DEBDHN CC[C@H](C)N1CCN(c2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865859764 687358090 /nfs/dbraw/zinc/35/80/90/687358090.db2.gz QDPCHTCAQTUONP-NSHDSACASA-N 0 3 311.357 2.147 20 5 DEBDHN CCN(C)C(=O)[C@H](C)N[C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866347614 687543058 /nfs/dbraw/zinc/54/30/58/687543058.db2.gz LXHIVZGHBZUEEU-MNOVXSKESA-N 0 3 311.357 2.121 20 5 DEBDHN C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H](C)C(=O)N1CCCC1 ZINC000866353043 687545887 /nfs/dbraw/zinc/54/58/87/687545887.db2.gz NMPHJKUTPHWFSG-NEPJUHHUSA-N 0 3 323.368 2.265 20 5 DEBDHN Cc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1-c1cnn(C)c1 ZINC000870376450 688551991 /nfs/dbraw/zinc/55/19/91/688551991.db2.gz JSMDMKWUMVHCIE-NSHDSACASA-N 0 3 303.318 2.218 20 5 DEBDHN COC[C@H](CCN[C@H](C)c1c(F)cccc1[N+](=O)[O-])OC ZINC000872084796 688924057 /nfs/dbraw/zinc/92/40/57/688924057.db2.gz KUMJEIZDIZUHKG-MNOVXSKESA-N 0 3 300.330 2.436 20 5 DEBDHN CN1CCC[C@H]2[C@H]1CCN2c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000872778439 689091204 /nfs/dbraw/zinc/09/12/04/689091204.db2.gz HXDHRHZFJHPZJG-NEPJUHHUSA-N 0 3 306.322 2.176 20 5 DEBDHN Cc1csc([C@H]2CCN(CCn3ccc([N+](=O)[O-])n3)C2)n1 ZINC000880007422 690779688 /nfs/dbraw/zinc/77/96/88/690779688.db2.gz HBGDTZYXPMTMKS-NSHDSACASA-N 0 3 307.379 2.046 20 5 DEBDHN CN(C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)[C@@H]1CCCN(C)C1 ZINC000931609861 694439319 /nfs/dbraw/zinc/43/93/19/694439319.db2.gz LWIIRYDAHAGEAX-LLVKDONJSA-N 0 3 310.329 2.292 20 5 DEBDHN O=[N+]([O-])c1cc2c(cc1CN[C@H](CO)CC1CCC1)OCCO2 ZINC000883126617 691435422 /nfs/dbraw/zinc/43/54/22/691435422.db2.gz VIPHZOGHHQQNMN-ZDUSSCGKSA-N 0 3 322.361 2.007 20 5 DEBDHN CC(C)CC[C@H](CO)NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000883187412 691452256 /nfs/dbraw/zinc/45/22/56/691452256.db2.gz NNNIFMJNUSVVGF-CYBMUJFWSA-N 0 3 324.377 2.253 20 5 DEBDHN C[C@H](NCC[C@H]1CCCS1(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000883305211 691477691 /nfs/dbraw/zinc/47/76/91/691477691.db2.gz REKYBWILMQOPMM-SMDDNHRTSA-N 0 3 312.391 2.213 20 5 DEBDHN N[C@@H](CC1CC1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000884306769 691705648 /nfs/dbraw/zinc/70/56/48/691705648.db2.gz NWRTVQGQSXZKMB-HNNXBMFYSA-N 0 3 303.362 2.213 20 5 DEBDHN COC(=O)[C@H]1CCCC[C@@]1(C)NCc1cccnc1[N+](=O)[O-] ZINC000886087130 692000926 /nfs/dbraw/zinc/00/09/26/692000926.db2.gz QKDDQQYGDOPQRR-IUODEOHRSA-N 0 3 307.350 2.201 20 5 DEBDHN COC[C@H](NCc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCOC1 ZINC000886357485 692065735 /nfs/dbraw/zinc/06/57/35/692065735.db2.gz HUSRSGNXFFKLRV-DOMZBBRYSA-N 0 3 312.341 2.265 20 5 DEBDHN CC1(C)CCN(CCNC(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000890079541 692857359 /nfs/dbraw/zinc/85/73/59/692857359.db2.gz YGWIEAPPIUDAIJ-UHFFFAOYSA-N 0 3 309.341 2.196 20 5 DEBDHN COc1c([O-])ccc(C[NH2+][C@H](C)Cc2ccccn2)c1[N+](=O)[O-] ZINC000895214459 692994203 /nfs/dbraw/zinc/99/42/03/692994203.db2.gz LJSJCNZJJJOXGD-LLVKDONJSA-N 0 3 317.345 2.425 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000926943870 693532758 /nfs/dbraw/zinc/53/27/58/693532758.db2.gz WPTMJVFHIFTZDF-DZJQYVJYSA-N 0 3 322.361 2.058 20 5 DEBDHN CC(COC(=O)c1cc2c([nH]c1=O)CCC(C)(C)C2)[N+](=O)[O-] ZINC001343429191 1150741152 /nfs/dbraw/zinc/74/11/52/1150741152.db2.gz GVPXMZBFAYZMTL-VIFPVBQESA-N 0 3 308.334 2.124 20 5 DEBDHN CCN1C[C@@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])C(C)(C)C1 ZINC001472059156 1151860099 /nfs/dbraw/zinc/86/00/99/1151860099.db2.gz UYFOHWLIJQIUOI-GFCCVEGCSA-N 0 3 309.341 2.194 20 5 DEBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN[C@H](C)[C@@H]1C ZINC001122017202 782419035 /nfs/dbraw/zinc/41/90/35/782419035.db2.gz IIUJTWGNJZRCGR-ZJUUUORDSA-N 0 3 309.391 2.139 20 5 DEBDHN O=[N+]([O-])C[C@H]1CC[C@@H](NCc2cccnc2Br)C1 ZINC001168988322 785005887 /nfs/dbraw/zinc/00/58/87/785005887.db2.gz QWFRFKKTXWDSGY-GXSJLCMTSA-N 0 3 314.183 2.379 20 5 DEBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](n2nc(C(F)(F)F)c3c2CNCC3)C1 ZINC001169042478 785014697 /nfs/dbraw/zinc/01/46/97/785014697.db2.gz DVMUYRBSYBWSRO-RKDXNWHRSA-N 0 3 318.299 2.166 20 5 DEBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)C1 ZINC001169026617 785019667 /nfs/dbraw/zinc/01/96/67/785019667.db2.gz YBYCQWKMULAAPO-DMRKSPOLSA-N 0 3 324.421 2.090 20 5 DEBDHN NCc1cnnn1-c1nc2c(ccc3ccccc32)nc1Cl ZINC001169310628 785139396 /nfs/dbraw/zinc/13/93/96/785139396.db2.gz JXDYESWLJBYURD-UHFFFAOYSA-N 0 3 310.748 2.476 20 5 DEBDHN Cc1cc(Cl)nc(N2C[C@@H]3CCCN(C)[C@@H]3C2)c1[N+](=O)[O-] ZINC001157265339 786218137 /nfs/dbraw/zinc/21/81/37/786218137.db2.gz JHLOQGSEWOUHAE-WDEREUQCSA-N 0 3 310.785 2.482 20 5 DEBDHN C[C@@H](Nc1ccc2cc(F)cc([N+](=O)[O-])c2n1)[C@H]1CNCCO1 ZINC001170569779 787649332 /nfs/dbraw/zinc/64/93/32/787649332.db2.gz MFICUBPQTDNHGM-NOZJJQNGSA-N 0 3 320.324 2.071 20 5 DEBDHN CCCN(C)CC(=O)NCCCNc1ccc([N+](=O)[O-])c(C)c1 ZINC001094517566 792960488 /nfs/dbraw/zinc/96/04/88/792960488.db2.gz XZWHYRXUHJOQET-UHFFFAOYSA-N 0 3 322.409 2.163 20 5 DEBDHN Cc1cc(NCCN(C)C(=O)CN(C)C(C)C)ccc1[N+](=O)[O-] ZINC001101657709 793298576 /nfs/dbraw/zinc/29/85/76/793298576.db2.gz MFWXKNRWTOWGBX-UHFFFAOYSA-N 0 3 322.409 2.114 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)NCc2cnoc2)c1F ZINC001173189758 793623328 /nfs/dbraw/zinc/62/33/28/793623328.db2.gz QSPJSRMZZWRMMN-SECBINFHSA-N 0 3 309.297 2.451 20 5 DEBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1ccn(CCF)n1 ZINC001173225656 793641876 /nfs/dbraw/zinc/64/18/76/793641876.db2.gz UGYMVWZPLXGARJ-GFCCVEGCSA-N 0 3 306.341 2.482 20 5 DEBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@]2(CNC(=O)O2)C1 ZINC001173235886 793647304 /nfs/dbraw/zinc/64/73/04/793647304.db2.gz ZYNOJDXHJFWQFM-WBMJQRKESA-N 0 3 319.361 2.100 20 5 DEBDHN O=[N+]([O-])c1ccc(CNC[C@H](O)C[C@H](O)c2ccccc2)cc1 ZINC001120472531 795468437 /nfs/dbraw/zinc/46/84/37/795468437.db2.gz OWFLSFDETMPQJF-SJORKVTESA-N 0 3 316.357 2.169 20 5 DEBDHN Cc1c(CC(=O)NC[C@H]2CCCCN2C)cccc1[N+](=O)[O-] ZINC001121154092 795596693 /nfs/dbraw/zinc/59/66/93/795596693.db2.gz GKKKTOJQSKBONP-CQSZACIVSA-N 0 3 305.378 2.046 20 5 DEBDHN Cc1ccc(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])o1 ZINC001154399501 797527855 /nfs/dbraw/zinc/52/78/55/797527855.db2.gz USUQUGNWXHTXMS-UHFFFAOYSA-N 0 3 317.345 2.406 20 5 DEBDHN O=C(CC(F)(F)F)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001155361037 797741626 /nfs/dbraw/zinc/74/16/26/797741626.db2.gz CPGTZCQNMVUHPO-UHFFFAOYSA-N 0 3 319.283 2.143 20 5 DEBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1ccc(F)s1 ZINC001153356668 799014923 /nfs/dbraw/zinc/01/49/23/799014923.db2.gz XLTQMCYCVLUCCD-UHFFFAOYSA-N 0 3 323.349 2.315 20 5 DEBDHN CCC(=O)NCCC1(CNCc2ccccc2[N+](=O)[O-])CC1 ZINC001163036417 799229043 /nfs/dbraw/zinc/22/90/43/799229043.db2.gz PSMXZHOFHFYPFW-UHFFFAOYSA-N 0 3 305.378 2.381 20 5 DEBDHN CC1(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])CCC1 ZINC001164013655 799482807 /nfs/dbraw/zinc/48/28/07/799482807.db2.gz LDQVAWZEOMWPLG-UHFFFAOYSA-N 0 3 305.378 2.381 20 5 DEBDHN Cc1cocc1C(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001164098198 799509803 /nfs/dbraw/zinc/50/98/03/799509803.db2.gz SUOPHNZQIKJFEO-UHFFFAOYSA-N 0 3 323.374 2.467 20 5 DEBDHN Cc1ccnc(N2C[C@H]3c4ccccc4CN[C@@H]3C2)c1[N+](=O)[O-] ZINC001165349944 799710499 /nfs/dbraw/zinc/71/04/99/799710499.db2.gz LFXIOUNZRGSTOD-LSDHHAIUSA-N 0 3 310.357 2.374 20 5 DEBDHN COC(=O)c1ccc([N+](=O)[O-])c(O[C@H]2CCN(C(C)C)C2)c1 ZINC001227043225 803191787 /nfs/dbraw/zinc/19/17/87/803191787.db2.gz BNOARMAWTWGKJM-LBPRGKRZSA-N 0 3 308.334 2.243 20 5 DEBDHN COC(=O)c1cccc([N+](=O)[O-])c1O[C@@H]1CCN(C(C)C)C1 ZINC001227121638 803204363 /nfs/dbraw/zinc/20/43/63/803204363.db2.gz DBFNKUXUEHYKQA-LLVKDONJSA-N 0 3 308.334 2.243 20 5 DEBDHN N[C@@H](C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C1CCC1 ZINC001580110610 1067497114 /nfs/dbraw/zinc/49/71/14/1067497114.db2.gz XMWOIOLRWNSNMS-GOEBONIOSA-N 0 3 317.389 2.428 20 5 DEBDHN CCc1nn(C)c(N2CCN[C@@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC001559285255 1075118633 /nfs/dbraw/zinc/11/86/33/1075118633.db2.gz HSYFTSBPSXXAPX-CQSZACIVSA-N 0 3 315.377 2.042 20 5 DEBDHN CC[C@@H]1CC[N@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001590515200 1076647031 /nfs/dbraw/zinc/64/70/31/1076647031.db2.gz ZDJOYTYDSYMMKU-SNVBAGLBSA-N 0 3 302.338 2.007 20 5 DEBDHN CC[C@@H]1CC[N@@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001590515200 1076647034 /nfs/dbraw/zinc/64/70/34/1076647034.db2.gz ZDJOYTYDSYMMKU-SNVBAGLBSA-N 0 3 302.338 2.007 20 5 DEBDHN CC[C@@H]1CC[N@H+](Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001590515200 1076647036 /nfs/dbraw/zinc/64/70/36/1076647036.db2.gz ZDJOYTYDSYMMKU-SNVBAGLBSA-N 0 3 302.338 2.007 20 5 DEBDHN CC[C@@H]1CC[N@@H+](Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001590515200 1076647038 /nfs/dbraw/zinc/64/70/38/1076647038.db2.gz ZDJOYTYDSYMMKU-SNVBAGLBSA-N 0 3 302.338 2.007 20 5 DEBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC001609602031 1077882394 /nfs/dbraw/zinc/88/23/94/1077882394.db2.gz CCUDORDZUTZTRN-LLVKDONJSA-N 0 3 314.349 2.007 20 5 DEBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1C[N@H+]1CC[C@@H](C2CC2)C1 ZINC001609602031 1077882397 /nfs/dbraw/zinc/88/23/97/1077882397.db2.gz CCUDORDZUTZTRN-LLVKDONJSA-N 0 3 314.349 2.007 20 5 DEBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC001609602031 1077882401 /nfs/dbraw/zinc/88/24/01/1077882401.db2.gz CCUDORDZUTZTRN-LLVKDONJSA-N 0 3 314.349 2.007 20 5 DEBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1C[N@H+]1CC[C@@H](C2CC2)C1 ZINC001609602031 1077882405 /nfs/dbraw/zinc/88/24/05/1077882405.db2.gz CCUDORDZUTZTRN-LLVKDONJSA-N 0 3 314.349 2.007 20 5 DEBDHN CCC1(C(=O)N(C)CCNCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001481276816 1079555080 /nfs/dbraw/zinc/55/50/80/1079555080.db2.gz DHNXNENWRIOAQA-UHFFFAOYSA-N 0 3 305.378 2.333 20 5 DEBDHN COC(=O)c1cc(CNC[C@H](C)c2ccccc2[N+](=O)[O-])on1 ZINC001653171954 1079916114 /nfs/dbraw/zinc/91/61/14/1079916114.db2.gz SDNBVFIGPDGCON-JTQLQIEISA-N 0 3 319.317 2.263 20 5 DEBDHN CC(C)(NCc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC001655380813 1079996366 /nfs/dbraw/zinc/99/63/66/1079996366.db2.gz FJVHGMUGHHUHCN-CQSZACIVSA-N 0 3 321.377 2.131 20 5 DEBDHN CC(=O)NCCC1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC001270088802 1081447278 /nfs/dbraw/zinc/44/72/78/1081447278.db2.gz SNECCBMAOIASCB-UHFFFAOYSA-N 0 3 305.378 2.333 20 5 DEBDHN Cc1ccc(CN2CCC[C@H](C(=O)NC3CC3)C2)cc1[N+](=O)[O-] ZINC001319814403 1140735090 /nfs/dbraw/zinc/73/50/90/1140735090.db2.gz DSTYTGNLGTWHLO-AWEZNQCLSA-N 0 3 317.389 2.394 20 5 DEBDHN CO[C@@H]1CC[C@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC001320670540 1140892254 /nfs/dbraw/zinc/89/22/54/1140892254.db2.gz ZHKQBLFXAWWODS-NWDGAFQWSA-N 0 3 308.334 2.023 20 5 DEBDHN CN1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001337463825 1142757331 /nfs/dbraw/zinc/75/73/31/1142757331.db2.gz AMDVPAITRPGWPF-OWCLPIDISA-N 0 3 317.389 2.299 20 5 DEBDHN COC(=O)[C@@H]1CN([C@@H](C)Cc2ccccc2[N+](=O)[O-])CC12CC2 ZINC001254571362 1143253495 /nfs/dbraw/zinc/25/34/95/1143253495.db2.gz SYSIHYPRNBETMR-JSGCOSHPSA-N 0 3 318.373 2.411 20 5 DEBDHN CCC(=O)NC1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254599943 1143274664 /nfs/dbraw/zinc/27/46/64/1143274664.db2.gz NBBAYHADXGNLHN-MRXNPFEDSA-N 0 3 317.389 2.053 20 5 DEBDHN CCc1ccc(C(=O)N2[C@H](C)CN[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC001341027417 1143525508 /nfs/dbraw/zinc/52/55/08/1143525508.db2.gz IHXNWNZZZFTETF-GRYCIOLGSA-N 0 3 305.378 2.368 20 5 DEBDHN C[C@@H]1[C@H](C)NC[C@H](C)N1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC001341768388 1143701196 /nfs/dbraw/zinc/70/11/96/1143701196.db2.gz URKLILBHGPJPHO-SDDRHHMPSA-N 0 3 323.418 2.284 20 5 DEBDHN COc1c([O-])ccc(C[NH2+]C[C@]2(O)CCCC2(C)C)c1[N+](=O)[O-] ZINC001308783811 1147486406 /nfs/dbraw/zinc/48/64/06/1147486406.db2.gz XYJIQKOIUGRABK-MRXNPFEDSA-N 0 3 324.377 2.340 20 5 DEBDHN Cc1cc(NCC(C)(C)N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC001317885260 1147760423 /nfs/dbraw/zinc/76/04/23/1147760423.db2.gz KWPONPJCAVEPOH-UHFFFAOYSA-N 0 3 306.410 2.341 20 5 DEBDHN CCNC(=O)N1CC[C@@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000090410199 185294836 /nfs/dbraw/zinc/29/48/36/185294836.db2.gz MSLZUFFGLPNOCU-QWHCGFSZSA-N 0 3 320.393 2.358 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000115436907 185684621 /nfs/dbraw/zinc/68/46/21/185684621.db2.gz RONSUYURJSYFTR-ZDUSSCGKSA-N 0 3 305.378 2.317 20 5 DEBDHN CCC1(CC)[C@@H](OC)C[C@@H]1N(C)CCn1ccc([N+](=O)[O-])n1 ZINC000140655504 186027303 /nfs/dbraw/zinc/02/73/03/186027303.db2.gz UHEJTBKXWZNBAD-STQMWFEESA-N 0 3 310.398 2.317 20 5 DEBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C)C[C@H]1N(C)C ZINC000270508478 282701212 /nfs/dbraw/zinc/70/12/12/282701212.db2.gz QRBYQMMNMCLDCS-KGLIPLIRSA-N 0 3 323.418 2.021 20 5 DEBDHN Cc1cccc(C(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)c1[N+](=O)[O-] ZINC000164273407 186154741 /nfs/dbraw/zinc/15/47/41/186154741.db2.gz HOXWYGKXKKKKQA-ZFWWWQNUSA-N 0 3 317.389 2.460 20 5 DEBDHN C[C@H](NC(=O)NC1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000194263922 186274530 /nfs/dbraw/zinc/27/45/30/186274530.db2.gz XQIPFQBRKOBVKR-NSHDSACASA-N 0 3 306.366 2.049 20 5 DEBDHN CCCN1CC[C@@H](NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000595483605 358461258 /nfs/dbraw/zinc/46/12/58/358461258.db2.gz WXPVKRASUYNARF-TZMCWYRMSA-N 0 3 320.393 2.439 20 5 DEBDHN O=[N+]([O-])c1ccc(NC2CCN(C3CC3)CC2)c2nonc21 ZINC000011606970 354021896 /nfs/dbraw/zinc/02/18/96/354021896.db2.gz DNHSFROAIKJMFL-UHFFFAOYSA-N 0 3 303.322 2.170 20 5 DEBDHN COc1ccc(C(=O)N[C@H](C)CN2CCCCC2)cc1[N+](=O)[O-] ZINC000024802269 354068240 /nfs/dbraw/zinc/06/82/40/354068240.db2.gz NYUGPQAKMAXSSX-GFCCVEGCSA-N 0 3 321.377 2.208 20 5 DEBDHN CN(Cc1ccccc1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026711297 354084888 /nfs/dbraw/zinc/08/48/88/354084888.db2.gz JMKAVHBHLGRLBG-INIZCTEOSA-N 0 3 316.357 2.467 20 5 DEBDHN Cc1ccc(C(=O)NC2CCN(C3CC3)CC2)cc1[N+](=O)[O-] ZINC000029090463 354105797 /nfs/dbraw/zinc/10/57/97/354105797.db2.gz YCOKFXCSEIKNAK-UHFFFAOYSA-N 0 3 303.362 2.260 20 5 DEBDHN COC1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000041897020 354180765 /nfs/dbraw/zinc/18/07/65/354180765.db2.gz LUHAFWOLCIEFML-UHFFFAOYSA-N 0 3 321.377 2.343 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCC(C)CC1 ZINC000046957237 354299076 /nfs/dbraw/zinc/29/90/76/354299076.db2.gz YRVJGKROORCKDD-UHFFFAOYSA-N 0 3 321.377 2.065 20 5 DEBDHN CC(C)(C)N1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000063726404 354655012 /nfs/dbraw/zinc/65/50/12/354655012.db2.gz APBADRODLWAQIL-UHFFFAOYSA-N 0 3 319.405 2.470 20 5 DEBDHN CCN1CCN(C[C@@H](C)CNc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000060380161 354612511 /nfs/dbraw/zinc/61/25/11/354612511.db2.gz AEQOTWOXYZAAIV-ZDUSSCGKSA-N 0 3 324.400 2.419 20 5 DEBDHN CCN1CCN(C[C@H](C)CNc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000060380162 354612581 /nfs/dbraw/zinc/61/25/81/354612581.db2.gz AEQOTWOXYZAAIV-CYBMUJFWSA-N 0 3 324.400 2.419 20 5 DEBDHN C[C@H]1CCCN(CCNC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000067725673 354776003 /nfs/dbraw/zinc/77/60/03/354776003.db2.gz CVSQWVPHPHFJKI-ZDUSSCGKSA-N 0 3 320.393 2.126 20 5 DEBDHN Cc1c(C(=O)N2CCCN(C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000068800342 354834024 /nfs/dbraw/zinc/83/40/24/354834024.db2.gz WTBJEHPIEWNZOG-UHFFFAOYSA-N 0 3 305.378 2.460 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCN2CCC[C@@H]2C1 ZINC000332565066 235112348 /nfs/dbraw/zinc/11/23/48/235112348.db2.gz ASNACRAXIDFPLK-CYBMUJFWSA-N 0 3 303.362 2.132 20 5 DEBDHN Cc1c([C@@H](C)NC[C@@H](O)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000090054316 355553653 /nfs/dbraw/zinc/55/36/53/355553653.db2.gz LICILWDMZRBKGX-MLGOLLRUSA-N 0 3 308.378 2.341 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(N2CCN(C[C@@H]3CCOC3)CC2)c1 ZINC000088727959 355518493 /nfs/dbraw/zinc/51/84/93/355518493.db2.gz ZNDGMYRIEIHROQ-AWEZNQCLSA-N 0 3 305.378 2.062 20 5 DEBDHN COC(=O)[C@H](C)CN(Cc1ccc(OC)c([N+](=O)[O-])c1)C1CC1 ZINC000171299015 355999858 /nfs/dbraw/zinc/99/98/58/355999858.db2.gz XPADGAWACGYQOW-LLVKDONJSA-N 0 3 322.361 2.377 20 5 DEBDHN CCN1CCC[C@H]1CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000184768711 356197014 /nfs/dbraw/zinc/19/70/14/356197014.db2.gz LBZUSQUINKYLAY-AAEUAGOBSA-N 0 3 323.368 2.438 20 5 DEBDHN C[C@@H](C(=O)NCCN1CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000185002989 356200479 /nfs/dbraw/zinc/20/04/79/356200479.db2.gz IUGWTLDSGBAQQF-GFCCVEGCSA-N 0 3 323.368 2.440 20 5 DEBDHN COc1ccc(CNC[C@@H](O)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000237178413 202176740 /nfs/dbraw/zinc/17/67/40/202176740.db2.gz JLVPRZICEUJXIL-HNNXBMFYSA-N 0 3 316.357 2.297 20 5 DEBDHN CCOc1cc(CN[C@H]2CCCC[C@@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000276899002 213162762 /nfs/dbraw/zinc/16/27/62/213162762.db2.gz LKCKBJUMSROWEF-STQMWFEESA-N 0 3 321.377 2.127 20 5 DEBDHN CN(C)C[C@H](CO)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000589101389 357443199 /nfs/dbraw/zinc/44/31/99/357443199.db2.gz BSIMGPNCSXGKFY-SSDOTTSWSA-N 0 3 308.165 2.236 20 5 DEBDHN NC(=O)CC[C@@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000339718222 283285695 /nfs/dbraw/zinc/28/56/95/283285695.db2.gz NRDDPKKRQYLKRJ-AWEZNQCLSA-N 0 3 305.378 2.115 20 5 DEBDHN C[C@H](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000593593208 358107590 /nfs/dbraw/zinc/10/75/90/358107590.db2.gz DXDKWGQQIMTCBB-NSHDSACASA-N 0 3 321.352 2.043 20 5 DEBDHN Cc1ccc([C@H](C)NCC[C@]2(O)CCCOC2)cc1[N+](=O)[O-] ZINC000593722249 358130751 /nfs/dbraw/zinc/13/07/51/358130751.db2.gz VWJCNPAHNWDNIO-XJKSGUPXSA-N 0 3 308.378 2.485 20 5 DEBDHN O=C(N[C@H]1CCCN2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000594199223 358222354 /nfs/dbraw/zinc/22/23/54/358222354.db2.gz HWGWRYAUDRHLPK-GJZGRUSLSA-N 0 3 303.362 2.342 20 5 DEBDHN O=C(N[C@H]1CCCN2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000594199225 358222715 /nfs/dbraw/zinc/22/27/15/358222715.db2.gz HWGWRYAUDRHLPK-LSDHHAIUSA-N 0 3 303.362 2.342 20 5 DEBDHN NC(=O)c1ccc(N[C@H]2CCCN3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000594602521 358302878 /nfs/dbraw/zinc/30/28/78/358302878.db2.gz QYMHCSAIULHSMX-GXTWGEPZSA-N 0 3 318.377 2.123 20 5 DEBDHN O=[N+]([O-])c1ccc(Cn2cc(CCN3CCCCC3)nn2)cc1 ZINC000594653869 358311458 /nfs/dbraw/zinc/31/14/58/358311458.db2.gz YGFJCJADAJSAPN-UHFFFAOYSA-N 0 3 315.377 2.263 20 5 DEBDHN CCNC(=O)C(C)(C)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595030715 358381203 /nfs/dbraw/zinc/38/12/03/358381203.db2.gz URUHIPMJJZHDHW-NSHDSACASA-N 0 3 323.393 2.416 20 5 DEBDHN O=[N+]([O-])c1cc(F)ccc1CN1CCN(c2ccncc2)CC1 ZINC000595349479 358427621 /nfs/dbraw/zinc/42/76/21/358427621.db2.gz YSFXLBDUONJFGB-UHFFFAOYSA-N 0 3 316.336 2.451 20 5 DEBDHN O=c1[nH]ccc(NCCN2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000596073707 358603618 /nfs/dbraw/zinc/60/36/18/358603618.db2.gz RXRUATAIWMLKBL-UHFFFAOYSA-N 0 3 314.345 2.166 20 5 DEBDHN O=c1[n-]ccc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000596170679 358628945 /nfs/dbraw/zinc/62/89/45/358628945.db2.gz VARVRYLREHKVCG-AAEUAGOBSA-N 0 3 318.377 2.149 20 5 DEBDHN O=c1[n-]ccc(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000596170679 358628948 /nfs/dbraw/zinc/62/89/48/358628948.db2.gz VARVRYLREHKVCG-AAEUAGOBSA-N 0 3 318.377 2.149 20 5 DEBDHN CN(C)CCN(c1ccc([N+](=O)[O-])c(C(N)=O)c1)C1CCCC1 ZINC000596227696 358646208 /nfs/dbraw/zinc/64/62/08/358646208.db2.gz SGIZNDSYUUAMBY-UHFFFAOYSA-N 0 3 320.393 2.004 20 5 DEBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CCN(C(C)(C)C)C2)n1 ZINC000596337118 358669787 /nfs/dbraw/zinc/66/97/87/358669787.db2.gz UJXRDONPWHSLHO-SNVBAGLBSA-N 0 3 322.365 2.061 20 5 DEBDHN CC[C@@H]1CN(C)CCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000597603291 358960731 /nfs/dbraw/zinc/96/07/31/358960731.db2.gz BHUOISYUUPFTEH-CYBMUJFWSA-N 0 3 309.341 2.290 20 5 DEBDHN C[C@H](CN1CCC(C)CC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000598263101 359141376 /nfs/dbraw/zinc/14/13/76/359141376.db2.gz PMSUASIEDNUKON-CQSZACIVSA-N 0 3 319.405 2.374 20 5 DEBDHN CC(C)[C@@H]1CN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CCN1 ZINC000598572088 359245774 /nfs/dbraw/zinc/24/57/74/359245774.db2.gz KVNHAJNGNYHEPC-NHYWBVRUSA-N 0 3 323.368 2.294 20 5 DEBDHN CCC[C@H](NCCN1CC[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000599091594 359401069 /nfs/dbraw/zinc/40/10/69/359401069.db2.gz CRZWRKJCTNWFTI-HOTGVXAUSA-N 0 3 307.394 2.092 20 5 DEBDHN CN1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1(C)C ZINC000601187677 359957372 /nfs/dbraw/zinc/95/73/72/359957372.db2.gz VIAFKXCAQZZIHZ-UHFFFAOYSA-N 0 3 301.350 2.068 20 5 DEBDHN CC1(C)C[C@@H](N[C@@H]2COCC[C@H]2O)c2cc([N+](=O)[O-])ccc21 ZINC000601306793 360000669 /nfs/dbraw/zinc/00/06/69/360000669.db2.gz RLDQUPSVGCYTAE-RBSFLKMASA-N 0 3 306.362 2.057 20 5 DEBDHN C[C@@H]1C[C@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)CN1C1CC1 ZINC000602567593 360436337 /nfs/dbraw/zinc/43/63/37/360436337.db2.gz HKDLRBOYUOFJFX-MNOVXSKESA-N 0 3 316.361 2.451 20 5 DEBDHN C[C@H]1CN(C2CC2)C[C@@H]1NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602568762 360437538 /nfs/dbraw/zinc/43/75/38/360437538.db2.gz MASXPBCHZRFYLO-HZMBPMFUSA-N 0 3 316.361 2.308 20 5 DEBDHN CC[C@@H](NCCc1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)(F)F ZINC000602582845 360444278 /nfs/dbraw/zinc/44/42/78/360444278.db2.gz YBRJUDFITNIVOB-NEPJUHHUSA-N 0 3 306.284 2.429 20 5 DEBDHN COC[C@@](C)(O)CNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602562895 360434149 /nfs/dbraw/zinc/43/41/49/360434149.db2.gz HTHVKEHHNXZUJW-LBPRGKRZSA-N 0 3 322.283 2.101 20 5 DEBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNC[C@H](O)C1CC1 ZINC000602654617 360476980 /nfs/dbraw/zinc/47/69/80/360476980.db2.gz DGDSPGLQPUAMJP-LBPRGKRZSA-N 0 3 304.268 2.474 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCSC[C@H]1C1CCC1 ZINC000602845545 360587664 /nfs/dbraw/zinc/58/76/64/360587664.db2.gz JRGNWMAOTUIOJR-ZDUSSCGKSA-N 0 3 310.423 2.317 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC1(N(C)C)CC1 ZINC000602885395 360608087 /nfs/dbraw/zinc/60/80/87/360608087.db2.gz WJNWCORAKZKJKB-UHFFFAOYSA-N 0 3 306.366 2.427 20 5 DEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC1(N(C)C)CC1 ZINC000602988806 360658016 /nfs/dbraw/zinc/65/80/16/360658016.db2.gz XKFBMNHOSOIUDT-UHFFFAOYSA-N 0 3 306.366 2.427 20 5 DEBDHN CC(C)(C)[C@@H](N)c1cn(Cc2c(F)cccc2[N+](=O)[O-])nn1 ZINC000603203304 360745825 /nfs/dbraw/zinc/74/58/25/360745825.db2.gz NJJPJIPSTLTHOF-ZDUSSCGKSA-N 0 3 307.329 2.420 20 5 DEBDHN COC(=O)C[C@@H]1CCCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000604304741 360895316 /nfs/dbraw/zinc/89/53/16/360895316.db2.gz DPSAELRXOWDTFL-ZDUSSCGKSA-N 0 3 322.361 2.391 20 5 DEBDHN COC(=O)C[C@H]1CCCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000604304737 360895395 /nfs/dbraw/zinc/89/53/95/360895395.db2.gz DPSAELRXOWDTFL-CYBMUJFWSA-N 0 3 322.361 2.391 20 5 DEBDHN CCc1ccc(C(=O)N[C@@H]2CCN(CC3CC3)C2)cc1[N+](=O)[O-] ZINC000610437230 361399875 /nfs/dbraw/zinc/39/98/75/361399875.db2.gz XCHKUJLNCBXFMY-OAHLLOKOSA-N 0 3 317.389 2.371 20 5 DEBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@H]2c2ccc(O)cc2)c1 ZINC000610447527 361401069 /nfs/dbraw/zinc/40/10/69/361401069.db2.gz HASYITGUSLXZON-HNNXBMFYSA-N 0 3 302.334 2.334 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NC1CCN(C2CC2)CC1 ZINC000194379527 201213841 /nfs/dbraw/zinc/21/38/41/201213841.db2.gz WDQOGYPNIRKXPJ-UHFFFAOYSA-N 0 3 303.362 2.260 20 5 DEBDHN CN1CC[C@H]2CCN(c3ncnc4ccc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000611713863 361666199 /nfs/dbraw/zinc/66/61/99/361666199.db2.gz IWELAKRZOUWHPB-NHYWBVRUSA-N 0 3 313.361 2.068 20 5 DEBDHN C[C@@H]1CN(C2CC2)C[C@H]1Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611707523 361662846 /nfs/dbraw/zinc/66/28/46/361662846.db2.gz IUKZFMCPJKXPPV-MEBBXXQBSA-N 0 3 313.361 2.433 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000194822828 201296080 /nfs/dbraw/zinc/29/60/80/201296080.db2.gz JQLRVQLSLRLGQD-NWDGAFQWSA-N 0 3 303.362 2.258 20 5 DEBDHN CC[C@H]1CN(C)CCCN1C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000619567047 363827859 /nfs/dbraw/zinc/82/78/59/363827859.db2.gz KWYDYOKILCYSLJ-HNNXBMFYSA-N 0 3 319.405 2.388 20 5 DEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NC[C@](C)(O)C(F)(F)F ZINC000449207423 240192589 /nfs/dbraw/zinc/19/25/89/240192589.db2.gz CABTZZXAJVKKPH-CABZTGNLSA-N 0 3 306.284 2.429 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1CN[C@H]([C@H](CO)C1CC1)C1CC1 ZINC000451611161 243199952 /nfs/dbraw/zinc/19/99/52/243199952.db2.gz LFBJFCUUTGGOGJ-WBVHZDCISA-N 0 3 320.389 2.490 20 5 DEBDHN CC[C@@H]1CN(CC)CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000451730625 243380549 /nfs/dbraw/zinc/38/05/49/243380549.db2.gz PIWQBGFECGDBJU-CQSZACIVSA-N 0 3 307.394 2.390 20 5 DEBDHN O=C1CC[C@@H](NCc2ccc([N+](=O)[O-])cc2F)C2(CCC2)N1 ZINC000282623868 217133644 /nfs/dbraw/zinc/13/36/44/217133644.db2.gz FSXXXXFUVOWRFD-CYBMUJFWSA-N 0 3 307.325 2.025 20 5 DEBDHN CC[C@H](NCC(=O)NCC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000271680213 209121315 /nfs/dbraw/zinc/12/13/15/209121315.db2.gz BJHYGKRRSUYGQI-NSHDSACASA-N 0 3 301.293 2.017 20 5 DEBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000492160386 249008950 /nfs/dbraw/zinc/00/89/50/249008950.db2.gz FPUZIEKVCODCHH-CTAIPNAISA-N 0 3 315.373 2.207 20 5 DEBDHN CN(C)C/C=C/C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000492217701 249018637 /nfs/dbraw/zinc/01/86/37/249018637.db2.gz HTTLCPDVKAEOMX-VMPITWQZSA-N 0 3 303.362 2.204 20 5 DEBDHN CC(C)[C@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000492994231 249191779 /nfs/dbraw/zinc/19/17/79/249191779.db2.gz ZQKCCDAPZGNXQB-CXOKCQFOSA-N 0 3 317.389 2.407 20 5 DEBDHN O=[N+]([O-])c1ccc(CCN2CCC[C@H](Cn3ccnn3)C2)cc1 ZINC000119874888 195053640 /nfs/dbraw/zinc/05/36/40/195053640.db2.gz KQOQQGOGOWZMML-HNNXBMFYSA-N 0 3 315.377 2.141 20 5 DEBDHN O=[N+]([O-])c1c(N2CC[C@H](N3CCCCC3)C2)nc2sccn21 ZINC000408098692 285077921 /nfs/dbraw/zinc/07/79/21/285077921.db2.gz HDVRJFMEWKGDMQ-NSHDSACASA-N 0 3 321.406 2.369 20 5 DEBDHN C[C@]1(NC[C@H](O)c2cccc([N+](=O)[O-])c2)CCO[C@H]1C1CC1 ZINC000273014238 210393854 /nfs/dbraw/zinc/39/38/54/210393854.db2.gz CNJOVGBGRPANHM-JYJNAYRXSA-N 0 3 306.362 2.175 20 5 DEBDHN C[C@H](NC(=O)NCc1cccc([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000541894222 285197940 /nfs/dbraw/zinc/19/79/40/285197940.db2.gz BZPXIZJYCHEJSA-LBPRGKRZSA-N 0 3 318.377 2.044 20 5 DEBDHN Cc1c([C@@H](C)N[C@@H](C)CN2CCOCC2)cccc1[N+](=O)[O-] ZINC000156783687 197140485 /nfs/dbraw/zinc/14/04/85/197140485.db2.gz UODWBMYFGASHMJ-GXTWGEPZSA-N 0 3 307.394 2.275 20 5 DEBDHN COC[C@@H](N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000542527264 285231597 /nfs/dbraw/zinc/23/15/97/285231597.db2.gz WOEVYLIOETWOPJ-DGCLKSJQSA-N 0 3 309.366 2.182 20 5 DEBDHN COC[C@H](N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000542527263 285231661 /nfs/dbraw/zinc/23/16/61/285231661.db2.gz WOEVYLIOETWOPJ-AAEUAGOBSA-N 0 3 309.366 2.182 20 5 DEBDHN CN(C)CCN(C(=O)CCC(C)(C)[N+](=O)[O-])c1ccccc1 ZINC000294807918 224234682 /nfs/dbraw/zinc/23/46/82/224234682.db2.gz UXWIBCPDDIFEQN-UHFFFAOYSA-N 0 3 307.394 2.417 20 5 DEBDHN COC(=O)COC[C@@H](C)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000295894617 533545993 /nfs/dbraw/zinc/54/59/93/533545993.db2.gz YQJCQZPEOXXBFT-NEPJUHHUSA-N 0 3 310.350 2.132 20 5 DEBDHN C[C@H](NC[C@H]1CN(C2CC2)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000358173068 133125896 /nfs/dbraw/zinc/12/58/96/133125896.db2.gz IYJMEUHQSWTGCT-LRDDRELGSA-N 0 3 305.378 2.109 20 5 DEBDHN CC(C)c1ccc(CN2CC[C@@H](CC(N)=O)C2)cc1[N+](=O)[O-] ZINC000368136637 133261900 /nfs/dbraw/zinc/26/19/00/133261900.db2.gz VYJUZJBKSQWONT-ZDUSSCGKSA-N 0 3 305.378 2.416 20 5 DEBDHN CC1(C)CN(CCN[C@@H]2CCc3c2cccc3[N+](=O)[O-])CCO1 ZINC000563417177 292055392 /nfs/dbraw/zinc/05/53/92/292055392.db2.gz JKEOLYIQLVXQIL-OAHLLOKOSA-N 0 3 319.405 2.283 20 5 DEBDHN COC(=O)[C@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000191830232 145065669 /nfs/dbraw/zinc/06/56/69/145065669.db2.gz PTRGOLFNRYKZHJ-WFASDCNBSA-N 0 3 306.362 2.268 20 5 DEBDHN CCOc1cccc(NC[C@@H]2CN3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000322346236 145378613 /nfs/dbraw/zinc/37/86/13/145378613.db2.gz CIXWKJIYAYCLEU-QWHCGFSZSA-N 0 3 321.377 2.269 20 5 DEBDHN COc1ccc(NC(=O)N2CCN(C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000346103359 146015949 /nfs/dbraw/zinc/01/59/49/146015949.db2.gz CGEVPTIPAZVOIC-NSHDSACASA-N 0 3 322.365 2.161 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000374889591 148302429 /nfs/dbraw/zinc/30/24/29/148302429.db2.gz CIQTWBVVAMCMLC-WFASDCNBSA-N 0 3 303.362 2.069 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3CC[C@H](C2)N3C)c1 ZINC000073987991 401727399 /nfs/dbraw/zinc/72/73/99/401727399.db2.gz AVRNJGFIIYJEQF-QWHCGFSZSA-N 0 3 303.362 2.212 20 5 DEBDHN CN1CCCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000042206264 401932405 /nfs/dbraw/zinc/93/24/05/401932405.db2.gz HSEXHKKIIAZQKQ-UHFFFAOYSA-N 0 3 314.183 2.499 20 5 DEBDHN O=[N+]([O-])c1ccc(CN2CCC[C@@H](Cn3ccnn3)C2)cc1 ZINC000119499519 401954888 /nfs/dbraw/zinc/95/48/88/401954888.db2.gz HSQQOUOENARJMM-CQSZACIVSA-N 0 3 301.350 2.099 20 5 DEBDHN CN(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1 ZINC000049406802 402016669 /nfs/dbraw/zinc/01/66/69/402016669.db2.gz GMHXTPWHKABCFP-LBPRGKRZSA-N 0 3 303.318 2.221 20 5 DEBDHN NC(=O)C[C@@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000093808548 402020519 /nfs/dbraw/zinc/02/05/19/402020519.db2.gz YJPUCYYIQWQACS-LVDDQXARSA-N 0 3 303.362 2.195 20 5 DEBDHN COc1ccc(OCCN2CCC[C@@H]2C(C)(C)O)c([N+](=O)[O-])c1 ZINC000122356519 402074677 /nfs/dbraw/zinc/07/46/77/402074677.db2.gz GONBTJDHDZTNML-OAHLLOKOSA-N 0 3 324.377 2.218 20 5 DEBDHN Cc1cc(C(=O)NC2CCN(C3CC3)CC2)cc([N+](=O)[O-])c1 ZINC000122421552 402077346 /nfs/dbraw/zinc/07/73/46/402077346.db2.gz RSGUWVCQRBPRMC-UHFFFAOYSA-N 0 3 303.362 2.260 20 5 DEBDHN Cc1ccc(C(=O)N(C)CC2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000103453894 402189478 /nfs/dbraw/zinc/18/94/78/402189478.db2.gz JSPKOANXDMJNBD-UHFFFAOYSA-N 0 3 305.378 2.317 20 5 DEBDHN C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)CN1C1CC1 ZINC000177057015 402364855 /nfs/dbraw/zinc/36/48/55/402364855.db2.gz QMCQCSNNLRPRJS-VHSXEESVSA-N 0 3 307.325 2.089 20 5 DEBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N(C)C2CCN(C)CC2)c1 ZINC000185179536 402331242 /nfs/dbraw/zinc/33/12/42/402331242.db2.gz DTZHEIRCTXMYNC-UHFFFAOYSA-N 0 3 323.418 2.483 20 5 DEBDHN C[C@@]1(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CCCCN1 ZINC000237569139 402413347 /nfs/dbraw/zinc/41/33/47/402413347.db2.gz VFVKQEMEWUMKBK-INIZCTEOSA-N 0 3 303.362 2.012 20 5 DEBDHN C[C@@H]1C[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000177662088 402424657 /nfs/dbraw/zinc/42/46/57/402424657.db2.gz SBRQNZQTWRIDNZ-DGCLKSJQSA-N 0 3 318.377 2.019 20 5 DEBDHN NC1(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CCCCC1 ZINC000237905503 402426031 /nfs/dbraw/zinc/42/60/31/402426031.db2.gz TWOVPGOHHGKMME-UHFFFAOYSA-N 0 3 303.362 2.141 20 5 DEBDHN CN(CCN(C)C1CC1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000186756006 402462078 /nfs/dbraw/zinc/46/20/78/402462078.db2.gz ASIFGLDWEBPDDZ-UHFFFAOYSA-N 0 3 311.769 2.414 20 5 DEBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000164601993 402465901 /nfs/dbraw/zinc/46/59/01/402465901.db2.gz KMPVUURIRVLTMO-UKRRQHHQSA-N 0 3 303.362 2.151 20 5 DEBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000247223416 402560840 /nfs/dbraw/zinc/56/08/40/402560840.db2.gz CSURDDIFFYMOMD-LWSBZWIYSA-N 0 3 317.389 2.407 20 5 DEBDHN O=[N+]([O-])c1ccc(OCCN2CCC(C3OCCO3)CC2)cc1 ZINC000171237140 402569900 /nfs/dbraw/zinc/56/99/00/402569900.db2.gz MNMGKNBJNLGBHE-UHFFFAOYSA-N 0 3 322.361 2.059 20 5 DEBDHN C[C@@H](C(=O)N(C)C1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000182671655 402707671 /nfs/dbraw/zinc/70/76/71/402707671.db2.gz AVIXXCWTSKQNAM-LLVKDONJSA-N 0 3 323.368 2.390 20 5 DEBDHN O=[N+]([O-])c1ccn(CCN2CC[C@@H](Oc3cccc(F)c3)C2)n1 ZINC000183384949 402761925 /nfs/dbraw/zinc/76/19/25/402761925.db2.gz FDGRREUDNDCGKS-CQSZACIVSA-N 0 3 320.324 2.084 20 5 DEBDHN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC[C@@H]1CN1CCCCC1 ZINC000263924804 402820790 /nfs/dbraw/zinc/82/07/90/402820790.db2.gz USYFMOFORNBUFQ-GFCCVEGCSA-N 0 3 306.366 2.013 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CCCN1C ZINC000271375879 402863879 /nfs/dbraw/zinc/86/38/79/402863879.db2.gz ZWYBVPCANWKCIB-CYBMUJFWSA-N 0 3 305.378 2.344 20 5 DEBDHN C[C@@H]1OCC[C@]1(O)CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278757558 402870796 /nfs/dbraw/zinc/87/07/96/402870796.db2.gz KMLDTAYZQYLXGS-XZJROXQQSA-N 0 3 306.362 2.102 20 5 DEBDHN Cn1cnc([N+](=O)[O-])c1NC[C@H]1CCCN1Cc1ccccc1 ZINC000265168492 402897957 /nfs/dbraw/zinc/89/79/57/402897957.db2.gz YDWDWPRECQPZGF-CQSZACIVSA-N 0 3 315.377 2.405 20 5 DEBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C)NC[C@H]1C ZINC000272579233 402955503 /nfs/dbraw/zinc/95/55/03/402955503.db2.gz OBSTWHQIXRBEIQ-UTUOFQBUSA-N 0 3 323.418 2.284 20 5 DEBDHN COc1ccc(CNC[C@H](O)c2ccc(C)o2)cc1[N+](=O)[O-] ZINC000265958944 402965546 /nfs/dbraw/zinc/96/55/46/402965546.db2.gz IPTROGWJODHPDS-ZDUSSCGKSA-N 0 3 306.318 2.328 20 5 DEBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000274203138 403034948 /nfs/dbraw/zinc/03/49/48/403034948.db2.gz UOGQWGPQQIXZLN-SWLSCSKDSA-N 0 3 313.361 2.317 20 5 DEBDHN Cc1ccc(N[C@H](C)CCN2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000274502931 403062100 /nfs/dbraw/zinc/06/21/00/403062100.db2.gz SKCVDPVWULVGMR-CQSZACIVSA-N 0 3 306.410 2.341 20 5 DEBDHN CN(C)C1(CNC(=O)/C=C/c2ccccc2[N+](=O)[O-])CCC1 ZINC000275962456 403135701 /nfs/dbraw/zinc/13/57/01/403135701.db2.gz KRXXFIQRYYDOSG-CMDGGOBGSA-N 0 3 303.362 2.209 20 5 DEBDHN CO[C@]1(C)C[C@@H](NCC(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC000269506967 403145146 /nfs/dbraw/zinc/14/51/46/403145146.db2.gz ZHTMGZFRFBWRKK-CZUORRHYSA-N 0 3 321.377 2.327 20 5 DEBDHN C[C@H](NCCN(C)CC(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284018760 403238940 /nfs/dbraw/zinc/23/89/40/403238940.db2.gz IQHTYLSYIGWWOD-VIFPVBQESA-N 0 3 320.315 2.322 20 5 DEBDHN COCCN1CC[C@@H](Nc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000276597869 403190209 /nfs/dbraw/zinc/19/02/09/403190209.db2.gz KDOVUODQAPJYTL-CYBMUJFWSA-N 0 3 316.361 2.276 20 5 DEBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000271013063 403253855 /nfs/dbraw/zinc/25/38/55/403253855.db2.gz MWRLSWVOSYDGQH-GFCCVEGCSA-N 0 3 305.378 2.397 20 5 DEBDHN CCC[C@@]1(CO)CCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000277825303 403261419 /nfs/dbraw/zinc/26/14/19/403261419.db2.gz RBUMDNSKTIVGKZ-CVEARBPZSA-N 0 3 308.378 2.255 20 5 DEBDHN C[C@@H](NCC[S@@](=O)C(C)(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284313402 403262361 /nfs/dbraw/zinc/26/23/61/403262361.db2.gz ZIYSPGQMOXYHHX-LADRHHBVSA-N 0 3 313.423 2.375 20 5 DEBDHN O=C(NCCN1CCCCC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342913768 403393992 /nfs/dbraw/zinc/39/39/92/403393992.db2.gz KJUIJIDZGINGCG-UHFFFAOYSA-N 0 3 316.361 2.292 20 5 DEBDHN CC(C)[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000293218936 403418658 /nfs/dbraw/zinc/41/86/58/403418658.db2.gz RPXHQIDXYWTXCG-HOTGVXAUSA-N 0 3 308.378 2.375 20 5 DEBDHN CN(C[C@@H]1CCCN1C)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000331687222 403451674 /nfs/dbraw/zinc/45/16/74/403451674.db2.gz VRSJCSVAIDCVKA-NSHDSACASA-N 0 3 316.361 2.242 20 5 DEBDHN CCN1CCC[C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000332300347 403543932 /nfs/dbraw/zinc/54/39/32/403543932.db2.gz VGBLGGCCICKLOB-LLVKDONJSA-N 0 3 316.361 2.290 20 5 DEBDHN CN1CCC[C@@H]1CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000299246472 403553967 /nfs/dbraw/zinc/55/39/67/403553967.db2.gz NBSADDAKYAXNIM-SNVBAGLBSA-N 0 3 312.757 2.464 20 5 DEBDHN C[C@@H]1[C@H](C)NC[C@H](C)N1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC001354891300 1151951867 /nfs/dbraw/zinc/95/18/67/1151951867.db2.gz BFVKJYPALGPKPR-RWMBFGLXSA-N 0 3 305.378 2.125 20 5 DEBDHN Cc1c(Br)c(N(C)CCN(C)C)ncc1[N+](=O)[O-] ZINC000347408566 403699103 /nfs/dbraw/zinc/69/91/03/403699103.db2.gz CKKRVHKWQIADRZ-UHFFFAOYSA-N 0 3 317.187 2.059 20 5 DEBDHN Cc1nn(C)c(NCCN(C)Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000301572793 403649279 /nfs/dbraw/zinc/64/92/79/403649279.db2.gz XMPFCRDYKJOBDN-UHFFFAOYSA-N 0 3 321.356 2.320 20 5 DEBDHN CCCN1CCC(Nc2ncc(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000302778478 403724856 /nfs/dbraw/zinc/72/48/56/403724856.db2.gz QBNRRDXRDZGZQW-UHFFFAOYSA-N 0 3 322.365 2.063 20 5 DEBDHN CC(C)CCC1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000305069529 403818234 /nfs/dbraw/zinc/81/82/34/403818234.db2.gz IXNKKIRIDPYSOL-MRXNPFEDSA-N 0 3 324.425 2.300 20 5 DEBDHN CC(C)(NC[C@H]1CCNC(=O)CC1)c1ccccc1[N+](=O)[O-] ZINC000295222589 403802165 /nfs/dbraw/zinc/80/21/65/403802165.db2.gz RFVUQZJAMWJQFI-GFCCVEGCSA-N 0 3 305.378 2.336 20 5 DEBDHN Cc1cc(C(=O)N2CCN(C3CC3)C[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000295299085 403840135 /nfs/dbraw/zinc/84/01/35/403840135.db2.gz JFAODZVZRQSRLH-CYBMUJFWSA-N 0 3 317.389 2.460 20 5 DEBDHN C[C@@H]1CCCN(CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000344185622 403964810 /nfs/dbraw/zinc/96/48/10/403964810.db2.gz SZUBYSBEEFUQON-LLVKDONJSA-N 0 3 309.341 2.196 20 5 DEBDHN O=C(N[C@H]1CCN(C2CCCC2)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344248259 404007147 /nfs/dbraw/zinc/00/71/47/404007147.db2.gz DBOHSBKTFVFVAS-ZDUSSCGKSA-N 0 3 321.352 2.481 20 5 DEBDHN COc1ccc(CN2CC[C@@H](c3n[nH]c(C)n3)C2)cc1[N+](=O)[O-] ZINC000412025349 404064667 /nfs/dbraw/zinc/06/46/67/404064667.db2.gz HAYOGYRXSQKHGT-GFCCVEGCSA-N 0 3 317.349 2.019 20 5 DEBDHN COc1ccc(CN2CC[C@@H](c3nc(C)n[nH]3)C2)cc1[N+](=O)[O-] ZINC000412025349 404064671 /nfs/dbraw/zinc/06/46/71/404064671.db2.gz HAYOGYRXSQKHGT-GFCCVEGCSA-N 0 3 317.349 2.019 20 5 DEBDHN COc1ccc(CN2CC[C@@H](c3nnc(C)[nH]3)C2)cc1[N+](=O)[O-] ZINC000412025349 404064674 /nfs/dbraw/zinc/06/46/74/404064674.db2.gz HAYOGYRXSQKHGT-GFCCVEGCSA-N 0 3 317.349 2.019 20 5 DEBDHN CN(Cc1cccc([N+](=O)[O-])c1)C(C)(C)CN1CCOCC1 ZINC000412092440 404126912 /nfs/dbraw/zinc/12/69/12/404126912.db2.gz MWXPUNHDHCEEDQ-UHFFFAOYSA-N 0 3 307.394 2.137 20 5 DEBDHN CN(C)C1(CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000412282157 404223615 /nfs/dbraw/zinc/22/36/15/404223615.db2.gz VKDWIHOMQDKEEO-LSDHHAIUSA-N 0 3 317.389 2.299 20 5 DEBDHN COc1ccc(-c2ccc(CN3CC[C@H](O)C3)o2)c([N+](=O)[O-])c1 ZINC000349790224 404202190 /nfs/dbraw/zinc/20/21/90/404202190.db2.gz JCHBVKCFCPJJTF-NSHDSACASA-N 0 3 318.329 2.430 20 5 DEBDHN CCN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@H](C)O ZINC000352202723 404210325 /nfs/dbraw/zinc/21/03/25/404210325.db2.gz LVVBDKSHZYFZCW-LBPRGKRZSA-N 0 3 319.361 2.495 20 5 DEBDHN CN1CC[C@@H]2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000369844013 404249210 /nfs/dbraw/zinc/24/92/10/404249210.db2.gz AAGOGEMYLDPBBG-BXUZGUMPSA-N 0 3 304.350 2.153 20 5 DEBDHN COC[C@]1(C)CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000296858367 404345684 /nfs/dbraw/zinc/34/56/84/404345684.db2.gz UCMGURLOJIREGB-MRXNPFEDSA-N 0 3 324.377 2.341 20 5 DEBDHN CN(CCC(=O)N1CCCCC1)CCc1ccccc1[N+](=O)[O-] ZINC000352551380 404450885 /nfs/dbraw/zinc/45/08/85/404450885.db2.gz XGQJLDBGCIZWIO-UHFFFAOYSA-N 0 3 319.405 2.472 20 5 DEBDHN C[C@@H](NCCC(C)(C)S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000414262011 404558433 /nfs/dbraw/zinc/55/84/33/404558433.db2.gz NWEXVJJNQMURAX-LLVKDONJSA-N 0 3 314.407 2.459 20 5 DEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[C@@H](C(=O)N(C)C)C1 ZINC000414498591 404658862 /nfs/dbraw/zinc/65/88/62/404658862.db2.gz NCHKXAAHUZERMW-UZGISAJGSA-N 0 3 317.389 2.408 20 5 DEBDHN C[C@@H]1[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCCN1C ZINC000345287951 404659626 /nfs/dbraw/zinc/65/96/26/404659626.db2.gz IVNBCGYCOFXZLE-YGRLFVJLSA-N 0 3 316.361 2.289 20 5 DEBDHN CC(=O)N1CC[C@@H](CN(C)[C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000330447982 404662297 /nfs/dbraw/zinc/66/22/97/404662297.db2.gz IJNZOQULXIRFOD-OCCSQVGLSA-N 0 3 305.378 2.456 20 5 DEBDHN C[C@H](N[C@@H]1CCC[C@]1(C)CO)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000351520813 404623622 /nfs/dbraw/zinc/62/36/22/404623622.db2.gz YNMPZBWZVTYIBB-SGIREYDYSA-N 0 3 321.377 2.063 20 5 DEBDHN C[C@H]1[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CCCN1C ZINC000351618475 404674411 /nfs/dbraw/zinc/67/44/11/404674411.db2.gz HKJPIXSGVAQVHM-CABZTGNLSA-N 0 3 310.329 2.338 20 5 DEBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@H](CO)C2CC2)c1 ZINC000353063300 404734468 /nfs/dbraw/zinc/73/44/68/404734468.db2.gz SKGAPOXTWXYJNO-LLVKDONJSA-N 0 3 316.304 2.304 20 5 DEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC(C3CCCC3)C2)c1 ZINC000366502553 404804881 /nfs/dbraw/zinc/80/48/81/404804881.db2.gz FPTICJVZUBQGRF-MRXNPFEDSA-N 0 3 320.389 2.457 20 5 DEBDHN C[C@H]1CCN[C@H](C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000423833873 404880345 /nfs/dbraw/zinc/88/03/45/404880345.db2.gz BXIQDDCKRZYQGM-ZANVPECISA-N 0 3 311.769 2.253 20 5 DEBDHN CCOC(=O)c1ccnc(N[C@@H]2CCN(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000361083161 404909646 /nfs/dbraw/zinc/90/96/46/404909646.db2.gz XCQFTDXHNBILKP-WDEREUQCSA-N 0 3 322.365 2.061 20 5 DEBDHN COC(=O)COc1ccc(CNC2CC(C)C2)cc1[N+](=O)[O-] ZINC000353738766 404949886 /nfs/dbraw/zinc/94/98/86/404949886.db2.gz NSSFRYUDOPDWLJ-UHFFFAOYSA-N 0 3 308.334 2.035 20 5 DEBDHN CCO[C@@H]1CCCC[C@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000452038025 405137202 /nfs/dbraw/zinc/13/72/02/405137202.db2.gz WQOBAURIBYDCFA-UKRRQHHQSA-N 0 3 321.377 2.131 20 5 DEBDHN CCC[C@H](O)[C@H](CO)NC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000419826148 405268398 /nfs/dbraw/zinc/26/83/98/405268398.db2.gz QOCUIDJQVBHYDA-LSSCYMHBSA-N 0 3 308.378 2.110 20 5 DEBDHN COc1ccc(CN[C@@H](C)C2(OC)CCOCC2)cc1[N+](=O)[O-] ZINC000453072173 405281515 /nfs/dbraw/zinc/28/15/15/405281515.db2.gz AFFRWIRTTBVCRA-LBPRGKRZSA-N 0 3 324.377 2.277 20 5 DEBDHN C[C@@H]1[C@H](C)CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H]1C ZINC000419375143 405245089 /nfs/dbraw/zinc/24/50/89/405245089.db2.gz QZNFZQKZIZFBMU-UPJWGTAASA-N 0 3 317.389 2.460 20 5 DEBDHN C[C@]1(F)CNCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000420330759 405322254 /nfs/dbraw/zinc/32/22/54/405322254.db2.gz LVLYPLVLDDZZBH-ZDUSSCGKSA-N 0 3 301.749 2.382 20 5 DEBDHN C[C@H]1C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CN1C1CC1 ZINC000440932298 405331143 /nfs/dbraw/zinc/33/11/43/405331143.db2.gz MSBWUYRZYHZPQA-CABZTGNLSA-N 0 3 307.325 2.089 20 5 DEBDHN O=[N+]([O-])c1cccc(Cl)c1CN1CC[C@@H](c2nc[nH]n2)C1 ZINC000425556012 405302846 /nfs/dbraw/zinc/30/28/46/405302846.db2.gz ZFAUXKZGMMESKA-SECBINFHSA-N 0 3 307.741 2.356 20 5 DEBDHN Cc1cscc1CNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000577723063 405499313 /nfs/dbraw/zinc/49/93/13/405499313.db2.gz CLSLOTRPUFRKTG-AWEZNQCLSA-N 0 3 322.386 2.494 20 5 DEBDHN CN(C[C@@H]1CCCN1C)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000493836534 405583482 /nfs/dbraw/zinc/58/34/82/405583482.db2.gz MVGXDIMJLRKBOZ-HVHJFMEUSA-N 0 3 303.362 2.161 20 5 DEBDHN C[C@H](C(=O)N1CC[C@]2(CCN(C)C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000558034444 405639718 /nfs/dbraw/zinc/63/97/18/405639718.db2.gz YEBGYIMQYZTBOD-GUYCJALGSA-N 0 3 317.389 2.253 20 5 DEBDHN Cc1c(NC(=O)[C@H](C)N[C@@]2(C)CCO[C@@H]2C)cccc1[N+](=O)[O-] ZINC000494208598 405662228 /nfs/dbraw/zinc/66/22/28/405662228.db2.gz MEBOMXRTKMQEGZ-OZVIIMIRSA-N 0 3 321.377 2.387 20 5 DEBDHN Cc1c(NC(=O)[C@H](C)N[C@]2(C)CCO[C@@H]2C)cccc1[N+](=O)[O-] ZINC000494208595 405663384 /nfs/dbraw/zinc/66/33/84/405663384.db2.gz MEBOMXRTKMQEGZ-HWWQOWPSSA-N 0 3 321.377 2.387 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC1(CO)CCOCC1 ZINC000536832455 406278863 /nfs/dbraw/zinc/27/88/63/406278863.db2.gz LKKBGJDHEFOEBL-ZDUSSCGKSA-N 0 3 308.378 2.343 20 5 DEBDHN Cc1nc2n(n1)C[C@@H](N[C@@H]1CCc3c1cccc3[N+](=O)[O-])CC2 ZINC000569744956 406297563 /nfs/dbraw/zinc/29/75/63/406297563.db2.gz XEPYCJCNRNWOFV-SMDDNHRTSA-N 0 3 313.361 2.087 20 5 DEBDHN Cc1cc(C(=O)N2CCCC[C@H]2CN(C)C)ccc1[N+](=O)[O-] ZINC000520497103 406297688 /nfs/dbraw/zinc/29/76/88/406297688.db2.gz JTKRNZVSULENPV-AWEZNQCLSA-N 0 3 305.378 2.460 20 5 DEBDHN Cn1cc(C(C)(C)NCCOc2cccc([N+](=O)[O-])c2)cn1 ZINC000547413677 406407353 /nfs/dbraw/zinc/40/73/53/406407353.db2.gz PRKVFTCTADGNMR-UHFFFAOYSA-N 0 3 304.350 2.232 20 5 DEBDHN COCCN(CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCO[C@H]1C ZINC000489459581 406408219 /nfs/dbraw/zinc/40/82/19/406408219.db2.gz CLUPWVIVZLBLKZ-XJKSGUPXSA-N 0 3 324.377 2.099 20 5 DEBDHN CNC(=O)[C@@H]1CCC[C@@H]1N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000570582243 406413478 /nfs/dbraw/zinc/41/34/78/406413478.db2.gz ZYRYFILLCXLCSZ-RDBSUJKOSA-N 0 3 303.362 2.086 20 5 DEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H]1CCCC[C@H]1F ZINC000571552522 406536286 /nfs/dbraw/zinc/53/62/86/406536286.db2.gz XLNWXFAQXDGYCH-JHJVBQTASA-N 0 3 312.341 2.205 20 5 DEBDHN O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CCN(C2CC2)C1 ZINC000491564434 406623831 /nfs/dbraw/zinc/62/38/31/406623831.db2.gz WZKQJJQSTSQTNM-ZABGRMTBSA-N 0 3 319.336 2.100 20 5 DEBDHN CN(C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])[C@H]1CCCN(C)C1 ZINC000491909053 406773283 /nfs/dbraw/zinc/77/32/83/406773283.db2.gz ABHYWQJDORBCIB-QPBFKRLHSA-N 0 3 321.352 2.300 20 5 DEBDHN Cc1ccsc1CNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000570386353 292480029 /nfs/dbraw/zinc/48/00/29/292480029.db2.gz PCTSADRYJRHMGS-GFCCVEGCSA-N 0 3 322.386 2.494 20 5 DEBDHN Cc1ccsc1CNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000570386354 292480093 /nfs/dbraw/zinc/48/00/93/292480093.db2.gz PCTSADRYJRHMGS-LBPRGKRZSA-N 0 3 322.386 2.494 20 5 DEBDHN CC(C)N(C)C[C@@H](C)Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000290774891 221912545 /nfs/dbraw/zinc/91/25/45/221912545.db2.gz VTAJOXGMJUCALG-SNVBAGLBSA-N 0 3 319.365 2.384 20 5 DEBDHN Cc1nn(C)c(NC[C@@H](c2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000298691830 228700002 /nfs/dbraw/zinc/70/00/02/228700002.db2.gz GCDVVFWHXPWVIV-ZDUSSCGKSA-N 0 3 303.366 2.352 20 5 DEBDHN Cc1ccc([C@H](C)NC(=O)N2C[C@@H](C)NC[C@H]2C)cc1[N+](=O)[O-] ZINC000417821147 229114406 /nfs/dbraw/zinc/11/44/06/229114406.db2.gz DLXZBYGTWKCKOP-UPJWGTAASA-N 0 3 320.393 2.356 20 5 DEBDHN CC[C@](C)(CNC(=O)OC(C)(C)C)C(=O)OCC(C)[N+](=O)[O-] ZINC000496417486 269217921 /nfs/dbraw/zinc/21/79/21/269217921.db2.gz FBAYEHAPVDMQHE-QMTHXVAHSA-N 0 3 318.370 2.136 20 5 DEBDHN CCOC(=O)N1CC[C@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000496596112 269233904 /nfs/dbraw/zinc/23/39/04/269233904.db2.gz OATZSYMWIZYXDG-FZMZJTMJSA-N 0 3 319.361 2.403 20 5 DEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@@H](C)S(C)(=O)=O ZINC000526046895 269501577 /nfs/dbraw/zinc/50/15/77/269501577.db2.gz YZYHXWHWQNIDIG-YTRUQHMWSA-N 0 3 312.391 2.021 20 5 DEBDHN CCNC(=O)[C@H](C)N[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000268732226 273684562 /nfs/dbraw/zinc/68/45/62/273684562.db2.gz OMYBVWBDIZXTSD-FZMZJTMJSA-N 0 3 305.378 2.030 20 5 DEBDHN CC(C)c1n[nH]c(C(=O)N[C@H](C)CN2CCCCC2)c1[N+](=O)[O-] ZINC000269338856 276041717 /nfs/dbraw/zinc/04/17/17/276041717.db2.gz COFJYRUBWPFZTP-LLVKDONJSA-N 0 3 323.397 2.046 20 5 DEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC(CF)CC1 ZINC000295175623 280375895 /nfs/dbraw/zinc/37/58/95/280375895.db2.gz QSJDTCAFJIHRDY-ZDUSSCGKSA-N 0 3 312.341 2.016 20 5 DEBDHN Cc1cccnc1[C@H](NCCn1ccc([N+](=O)[O-])n1)C(C)C ZINC000176246420 302246965 /nfs/dbraw/zinc/24/69/65/302246965.db2.gz AGRLGNQCJKBWHG-CQSZACIVSA-N 0 3 303.366 2.482 20 5 DEBDHN CN(C)Cc1ccccc1NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000576577337 326303622 /nfs/dbraw/zinc/30/36/22/326303622.db2.gz XEYUNOBYDRQBCT-UHFFFAOYSA-N 0 3 316.317 2.009 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC1(N2CCOCC2)CC1 ZINC000577180770 326347807 /nfs/dbraw/zinc/34/78/07/326347807.db2.gz JTOORZNKXZKJOS-CQSZACIVSA-N 0 3 319.405 2.419 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000292366762 534333043 /nfs/dbraw/zinc/33/30/43/534333043.db2.gz WLXHHVLHCPESIV-INIZCTEOSA-N 0 3 303.362 2.071 20 5 DEBDHN COC[C@@H]1CCCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000364127484 522439287 /nfs/dbraw/zinc/43/92/87/522439287.db2.gz OARVYWHYIYIKJJ-CZUORRHYSA-N 0 3 308.378 2.377 20 5 DEBDHN COC[C@@H]1CCCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000364127483 522439474 /nfs/dbraw/zinc/43/94/74/522439474.db2.gz OARVYWHYIYIKJJ-CJNGLKHVSA-N 0 3 308.378 2.377 20 5 DEBDHN CN(CCc1cccc([N+](=O)[O-])c1)Cc1cccc(C(N)=O)c1 ZINC000338349731 522946519 /nfs/dbraw/zinc/94/65/19/522946519.db2.gz GRPBIPJOCOMCAS-UHFFFAOYSA-N 0 3 313.357 2.368 20 5 DEBDHN CN(CCc1cccc([N+](=O)[O-])c1)Cc1ccc(C(N)=O)cc1 ZINC000338345059 522947184 /nfs/dbraw/zinc/94/71/84/522947184.db2.gz DGFLQRAVKNJGCL-UHFFFAOYSA-N 0 3 313.357 2.368 20 5 DEBDHN CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@H]2CC[C@@H](C1)N2C ZINC000368557139 534880083 /nfs/dbraw/zinc/88/00/83/534880083.db2.gz NGEAPZOUSVSBAG-OCCSQVGLSA-N 0 3 303.362 2.470 20 5 DEBDHN CCOc1ccc([C@H](C)NCC2(CC(N)=O)CC2)cc1[N+](=O)[O-] ZINC000421858856 528605963 /nfs/dbraw/zinc/60/59/63/528605963.db2.gz QBJVYUIXIABZQF-NSHDSACASA-N 0 3 321.377 2.300 20 5 DEBDHN CCOC[C@@H](O)CN[C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417313378 528913855 /nfs/dbraw/zinc/91/38/55/528913855.db2.gz PIEUIHLQGCENHT-HOCLYGCPSA-N 0 3 308.378 2.349 20 5 DEBDHN CCN1CCN(CC(C)(C)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000449749154 535674701 /nfs/dbraw/zinc/67/47/01/535674701.db2.gz FBCDHESEXXIZLF-UHFFFAOYSA-N 0 3 320.437 2.101 20 5 DEBDHN CCN(Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)C(C)C ZINC000355609411 535784832 /nfs/dbraw/zinc/78/48/32/535784832.db2.gz REQQQNUSMKFKSB-UHFFFAOYSA-N 0 3 310.350 2.377 20 5 DEBDHN CC(COC(=O)Cc1sccc1Br)[N+](=O)[O-] ZINC000835454397 649923816 /nfs/dbraw/zinc/92/38/16/649923816.db2.gz JICRGBSUVRSXQY-LURJTMIESA-N 0 3 308.153 2.262 20 5 DEBDHN CC[C@@H](NCc1ccc(O)c(OC)c1[N+](=O)[O-])[C@H]1CCCO1 ZINC000893257350 625318806 /nfs/dbraw/zinc/31/88/06/625318806.db2.gz ZPSXWGXQGCZPIC-DGCLKSJQSA-N 0 3 310.350 2.356 20 5 DEBDHN CC[C@@H]([NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-])[C@H]1CCCO1 ZINC000893257350 625318828 /nfs/dbraw/zinc/31/88/28/625318828.db2.gz ZPSXWGXQGCZPIC-DGCLKSJQSA-N 0 3 310.350 2.356 20 5 DEBDHN CC[C@@H](NCc1ccc(O)c(OC)c1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000893257353 625318943 /nfs/dbraw/zinc/31/89/43/625318943.db2.gz ZPSXWGXQGCZPIC-YPMHNXCESA-N 0 3 310.350 2.356 20 5 DEBDHN CC[C@@H]([NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000893257353 625318948 /nfs/dbraw/zinc/31/89/48/625318948.db2.gz ZPSXWGXQGCZPIC-YPMHNXCESA-N 0 3 310.350 2.356 20 5 DEBDHN Cc1nn(CN(C)C[C@H]2CCOC2)c2cc([N+](=O)[O-])ccc12 ZINC000121243872 622567926 /nfs/dbraw/zinc/56/79/26/622567926.db2.gz ZATIPTGDDJFEOG-GFCCVEGCSA-N 0 3 304.350 2.179 20 5 DEBDHN C[C@@]1(NC(=O)CCc2cccc([N+](=O)[O-])c2)CN2CCC1CC2 ZINC000892776961 625583414 /nfs/dbraw/zinc/58/34/14/625583414.db2.gz GLSJCKSVEKGKKP-QGZVFWFLSA-N 0 3 317.389 2.128 20 5 DEBDHN Cc1cc(F)cc(C(=O)N(C)C2CCN(C)CC2)c1[N+](=O)[O-] ZINC000176160666 624660326 /nfs/dbraw/zinc/66/03/26/624660326.db2.gz GWYVOMLIVNIXOW-UHFFFAOYSA-N 0 3 309.341 2.209 20 5 DEBDHN COc1c([O-])ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c1[N+](=O)[O-] ZINC000893036548 625069810 /nfs/dbraw/zinc/06/98/10/625069810.db2.gz IOJRSJYLMSMZCX-KMUNFCNLSA-N 0 3 322.361 2.212 20 5 DEBDHN COc1ccc(CN[C@]23C[C@H]2COC32CCC2)cc1[N+](=O)[O-] ZINC000923032208 636922030 /nfs/dbraw/zinc/92/20/30/636922030.db2.gz VOGQUQFFQQYXMA-BLLLJJGKSA-N 0 3 304.346 2.405 20 5 DEBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(C)[C@@H]2C)c1 ZINC000928451002 637262255 /nfs/dbraw/zinc/26/22/55/637262255.db2.gz JPHAIFLDUZUQRL-SKDRFNHKSA-N 0 3 309.391 2.139 20 5 DEBDHN COc1c(O)ccc(CN[C@@H](C)C2(OC)CCC2)c1[N+](=O)[O-] ZINC000894922819 637333186 /nfs/dbraw/zinc/33/31/86/637333186.db2.gz SAUXJCJOPBJZOQ-JTQLQIEISA-N 0 3 310.350 2.356 20 5 DEBDHN COc1c([O-])ccc(C[NH2+][C@@H](C)C2(OC)CCC2)c1[N+](=O)[O-] ZINC000894922819 637333188 /nfs/dbraw/zinc/33/31/88/637333188.db2.gz SAUXJCJOPBJZOQ-JTQLQIEISA-N 0 3 310.350 2.356 20 5 DEBDHN CN1CCC[C@@H]2[C@@H]1CCN2c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000895092287 637542034 /nfs/dbraw/zinc/54/20/34/637542034.db2.gz OVPIITXKZIQIPY-UONOGXRCSA-N 0 3 306.322 2.176 20 5 DEBDHN CCOC(=O)c1ccnc(NCCN2CCC[C@H]2C)c1[N+](=O)[O-] ZINC000742426970 638071881 /nfs/dbraw/zinc/07/18/81/638071881.db2.gz DNPMUGOCHKAYRE-LLVKDONJSA-N 0 3 322.365 2.063 20 5 DEBDHN O=[N+]([O-])c1ccc(CN[C@@H](CO)C[C@@H]2CCCO2)cc1Cl ZINC000895747825 638175776 /nfs/dbraw/zinc/17/57/76/638175776.db2.gz INBNUBHCRGINRW-NEPJUHHUSA-N 0 3 314.769 2.268 20 5 DEBDHN CN1C[C@@H](CCNCc2ccc(Cl)cc2[N+](=O)[O-])CC1=O ZINC000896304506 638457028 /nfs/dbraw/zinc/45/70/28/638457028.db2.gz JFVVHJONOBBZKK-JTQLQIEISA-N 0 3 311.769 2.206 20 5 DEBDHN O=[N+]([O-])c1cc(Cl)ccc1CNC[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000896855300 638731903 /nfs/dbraw/zinc/73/19/03/638731903.db2.gz LTTHHUVLBLIMEE-QKCSRTOESA-N 0 3 312.753 2.142 20 5 DEBDHN Cc1nn(CN2CCC[C@@H]2C[C@H](C)O)c2ccc([N+](=O)[O-])cc12 ZINC000752812868 639222633 /nfs/dbraw/zinc/22/26/33/639222633.db2.gz OGNDLOKCKCVGDG-WCQYABFASA-N 0 3 318.377 2.446 20 5 DEBDHN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000755148938 639522952 /nfs/dbraw/zinc/52/29/52/639522952.db2.gz RRUZZMRQPOUPDF-GAJOTYCWSA-N 0 3 315.373 2.351 20 5 DEBDHN COCCOC[C@@H](C)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761526432 640320802 /nfs/dbraw/zinc/32/08/02/640320802.db2.gz LVEJGQGPGMHGOA-SNVBAGLBSA-N 0 3 302.758 2.389 20 5 DEBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCN(C3CCCC3)CC2)cc1 ZINC000776277844 642153279 /nfs/dbraw/zinc/15/32/79/642153279.db2.gz QDCRRMFADSGTEC-KRWDZBQOSA-N 0 3 319.405 2.188 20 5 DEBDHN O=[N+]([O-])c1ccc(CNCCNc2cnccn2)cc1Cl ZINC000783642222 643031641 /nfs/dbraw/zinc/03/16/41/643031641.db2.gz NFIMONGAXPWQQP-UHFFFAOYSA-N 0 3 307.741 2.240 20 5 DEBDHN CN(C(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@H]1CCCN(C)C1 ZINC000903015817 643217558 /nfs/dbraw/zinc/21/75/58/643217558.db2.gz MXHKWFYYCWQOSK-NSHDSACASA-N 0 3 310.329 2.292 20 5 DEBDHN COc1cc([C@H](C)NCC[C@H](C)[S@@](C)=O)cc([N+](=O)[O-])c1 ZINC000903123510 643260138 /nfs/dbraw/zinc/26/01/38/643260138.db2.gz AQKQYRZWLYJPJU-ZPMVXHMNSA-N 0 3 314.407 2.411 20 5 DEBDHN COc1cc([C@H](C)NC[C@@H](OC)[C@@H]2CCOC2)cc([N+](=O)[O-])c1 ZINC000903196493 643282095 /nfs/dbraw/zinc/28/20/95/643282095.db2.gz PJXHLDSOHRAMOH-HWWQOWPSSA-N 0 3 324.377 2.306 20 5 DEBDHN CN(C)Cc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000786759211 643405628 /nfs/dbraw/zinc/40/56/28/643405628.db2.gz WYNVDCUATCGNTI-UHFFFAOYSA-N 0 3 314.345 2.491 20 5 DEBDHN CC[C@@](O)(CNCCOc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000905104811 643790936 /nfs/dbraw/zinc/79/09/36/643790936.db2.gz HFKPGMNEFDSFJK-GFCCVEGCSA-N 0 3 322.283 2.267 20 5 DEBDHN CN1CC[C@@H](CNCC[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000905188692 643818059 /nfs/dbraw/zinc/81/80/59/643818059.db2.gz FSVWABZVYFZNFN-FZMZJTMJSA-N 0 3 315.776 2.338 20 5 DEBDHN Cc1c(CNC[C@@H](O)CC2(O)CCCC2)cccc1[N+](=O)[O-] ZINC000905227329 643826630 /nfs/dbraw/zinc/82/66/30/643826630.db2.gz AHJIIBJXFNVHEN-AWEZNQCLSA-N 0 3 308.378 2.049 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1-c1noc(C[C@@H]2CSCCN2)n1 ZINC000843187477 650921816 /nfs/dbraw/zinc/92/18/16/650921816.db2.gz QOBFISRAWMCYGV-SNVBAGLBSA-N 0 3 320.374 2.201 20 5 DEBDHN CCN1CCCN(C(=O)c2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000910295877 645408072 /nfs/dbraw/zinc/40/80/72/645408072.db2.gz PIUHFJFRNYNNQE-LBPRGKRZSA-N 0 3 305.378 2.460 20 5 DEBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNCCCOCCO ZINC000811488745 646536045 /nfs/dbraw/zinc/53/60/45/646536045.db2.gz JVRIJXQIQPTDTG-UHFFFAOYSA-N 0 3 323.176 2.390 20 5 DEBDHN CC(COC(=O)c1cccc(Br)c1F)[N+](=O)[O-] ZINC000813101885 646728908 /nfs/dbraw/zinc/72/89/08/646728908.db2.gz KUAHICRIRMLDOQ-LURJTMIESA-N 0 3 306.087 2.410 20 5 DEBDHN CC(COC(=O)c1cnn(C(C)(C)C)c1C(F)(F)F)[N+](=O)[O-] ZINC000813108993 646730261 /nfs/dbraw/zinc/73/02/61/646730261.db2.gz DAXFKIXMYOCVEJ-SSDOTTSWSA-N 0 3 323.271 2.479 20 5 DEBDHN CC(COC(=O)c1cnn(Cc2ccccc2)c1Cl)[N+](=O)[O-] ZINC000813107464 646730681 /nfs/dbraw/zinc/73/06/81/646730681.db2.gz NXDOYCXFKAEGIS-SNVBAGLBSA-N 0 3 323.736 2.407 20 5 DEBDHN CCOc1ccc(C(=O)CCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813115057 646732310 /nfs/dbraw/zinc/73/23/10/646732310.db2.gz JXYPFDLMZXTWRL-LLVKDONJSA-N 0 3 309.318 2.257 20 5 DEBDHN CCn1nc(C)c(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1C ZINC000731678789 647501622 /nfs/dbraw/zinc/50/16/22/647501622.db2.gz POJRXLFEBCBCBS-MRXNPFEDSA-N 0 3 318.377 2.251 20 5 DEBDHN Cn1ncc2c1CCC[C@H]2NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818952406 647547488 /nfs/dbraw/zinc/54/74/88/647547488.db2.gz LCXHSIDPNOZJOK-GDBMZVCRSA-N 0 3 316.361 2.029 20 5 DEBDHN CCc1ccnc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000819285142 647626652 /nfs/dbraw/zinc/62/66/52/647626652.db2.gz DLKXXWFSPIGOBR-INIZCTEOSA-N 0 3 301.346 2.375 20 5 DEBDHN O=[N+]([O-])c1ccc([C@@H](O)CN[C@@H]2COCc3ccccc32)cc1 ZINC000819373983 647645570 /nfs/dbraw/zinc/64/55/70/647645570.db2.gz KKQHLJRUVCSEDH-SJORKVTESA-N 0 3 314.341 2.489 20 5 DEBDHN C[C@H](NC(=S)NC1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000920310872 648216653 /nfs/dbraw/zinc/21/66/53/648216653.db2.gz RIEURJHSSNRGDI-NSHDSACASA-N 0 3 322.434 2.214 20 5 DEBDHN CCCN1CCC[C@@H]1C(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000825654996 648794843 /nfs/dbraw/zinc/79/48/43/648794843.db2.gz HZYOSPQMLMHOFO-CQSZACIVSA-N 0 3 305.378 2.394 20 5 DEBDHN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H](N)CC(F)F ZINC000826652472 648896847 /nfs/dbraw/zinc/89/68/47/648896847.db2.gz SOBRPZKXGITVES-SNVBAGLBSA-N 0 3 321.711 2.189 20 5 DEBDHN Cc1c(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cnn1C ZINC000845872598 651291321 /nfs/dbraw/zinc/29/13/21/651291321.db2.gz KDRSCIIEXHGVMO-QMTHXVAHSA-N 0 3 321.308 2.431 20 5 DEBDHN Cc1cn(C)nc1C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845882242 651291850 /nfs/dbraw/zinc/29/18/50/651291850.db2.gz RUPHUSREFURULL-HZMBPMFUSA-N 0 3 321.308 2.431 20 5 DEBDHN CC([C@H](OC(=O)c1cncn1C)c1ccccc1F)[N+](=O)[O-] ZINC000845881514 651292057 /nfs/dbraw/zinc/29/20/57/651292057.db2.gz LNAAQIUJUHLQNC-ZANVPECISA-N 0 3 307.281 2.123 20 5 DEBDHN NC(=O)[C@H]1C[C@@H](NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000846046608 651304123 /nfs/dbraw/zinc/30/41/23/651304123.db2.gz KBMYPMOTOYQYGK-KZCWHLCOSA-N 0 3 318.160 2.255 20 5 DEBDHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)c1cc([N+](=O)[O-])ccc1F ZINC000847255842 651384825 /nfs/dbraw/zinc/38/48/25/651384825.db2.gz MPNDFNHIUVEKSS-CABCVRRESA-N 0 3 321.352 2.481 20 5 DEBDHN CCN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C)C1 ZINC000855364222 651683466 /nfs/dbraw/zinc/68/34/66/651683466.db2.gz ZJRDOTKDRLKIAH-PPYMECGQSA-N 0 3 303.362 2.161 20 5 DEBDHN COC(=O)N(C)CCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000850547079 651949718 /nfs/dbraw/zinc/94/97/18/651949718.db2.gz AGOPPLSLCSRLGM-CQSZACIVSA-N 0 3 307.350 2.260 20 5 DEBDHN CC(COC(=O)Cc1ccc(Br)cc1F)[N+](=O)[O-] ZINC000851036493 652050426 /nfs/dbraw/zinc/05/04/26/652050426.db2.gz JEFOJCPDDUMBHW-ZETCQYMHSA-N 0 3 320.114 2.339 20 5 DEBDHN CN(CC1CN(C)C1)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000853554775 652567914 /nfs/dbraw/zinc/56/79/14/652567914.db2.gz DCUJPLKHQHQRHC-UHFFFAOYSA-N 0 3 322.390 2.323 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000928435569 693778627 /nfs/dbraw/zinc/77/86/27/693778627.db2.gz HLQPQZVLXWBEPU-CHWSQXEVSA-N 0 3 305.378 2.342 20 5 DEBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000928445114 693780520 /nfs/dbraw/zinc/78/05/20/693780520.db2.gz WYYSZJXDUIWFIE-KOLCDFICSA-N 0 3 311.769 2.379 20 5 DEBDHN C[C@H](NC[C@H](O)CCC1(O)CCC1)c1ccccc1[N+](=O)[O-] ZINC000930235927 694117265 /nfs/dbraw/zinc/11/72/65/694117265.db2.gz SFBRMSLKTCBTRC-QWHCGFSZSA-N 0 3 308.378 2.302 20 5 DEBDHN Cc1ccc(CNC(=O)C2(N)CC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000867996083 687867728 /nfs/dbraw/zinc/86/77/28/687867728.db2.gz PMBIVVXHIGAKGP-UHFFFAOYSA-N 0 3 303.362 2.181 20 5 DEBDHN CN(CCN1CCCCC1)C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000869163924 688232799 /nfs/dbraw/zinc/23/27/99/688232799.db2.gz AEMFTVIUHDHHKM-UHFFFAOYSA-N 0 3 323.368 2.221 20 5 DEBDHN N=C(COC1CCC1)NOCc1c(F)cc([N+](=O)[O-])cc1F ZINC000871778546 688866774 /nfs/dbraw/zinc/86/67/74/688866774.db2.gz NDTJVKRGLPUXLZ-UHFFFAOYSA-N 0 3 315.276 2.441 20 5 DEBDHN C[C@H](NC[C@@H]1CN2CCC[C@H]2CO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872035674 688917241 /nfs/dbraw/zinc/91/72/41/688917241.db2.gz XZLOCLVFPSPASG-RWMBFGLXSA-N 0 3 323.368 2.248 20 5 DEBDHN C[C@H](CN1CCN(C)CC1)N[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872035806 688917310 /nfs/dbraw/zinc/91/73/10/688917310.db2.gz ZBCCAIZZQNOGRV-CHWSQXEVSA-N 0 3 324.400 2.020 20 5 DEBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC2(CCNC2=O)CC1 ZINC000872092856 688925976 /nfs/dbraw/zinc/92/59/76/688925976.db2.gz DXANMZDEYANQTH-LBPRGKRZSA-N 0 3 303.362 2.258 20 5 DEBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC2(CCNC2=O)CC1 ZINC000872092854 688926122 /nfs/dbraw/zinc/92/61/22/688926122.db2.gz DXANMZDEYANQTH-GFCCVEGCSA-N 0 3 303.362 2.258 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@]12CCC[C@H]1OCC2 ZINC000872313387 688980526 /nfs/dbraw/zinc/98/05/26/688980526.db2.gz KIMJDXGKISFAPG-ZBFHGGJFSA-N 0 3 319.361 2.143 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000930861236 694257064 /nfs/dbraw/zinc/25/70/64/694257064.db2.gz BWSONVWZPHJQLQ-DOMZBBRYSA-N 0 3 318.377 2.379 20 5 DEBDHN CCN1CCC[C@H]1CNC(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC000873840541 689316908 /nfs/dbraw/zinc/31/69/08/689316908.db2.gz SUIBBUVIYAOPTA-ZDUSSCGKSA-N 0 3 305.378 2.426 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N(C)CCN1CCCC1 ZINC000874349244 689391259 /nfs/dbraw/zinc/39/12/59/689391259.db2.gz NFPVVOPJQFPYEU-UHFFFAOYSA-N 0 3 305.378 2.379 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000874843204 689514726 /nfs/dbraw/zinc/51/47/26/689514726.db2.gz LXXGODKDPVAJIE-CABCVRRESA-N 0 3 303.362 2.212 20 5 DEBDHN COc1ccc(CNC2CC(n3cc([N+](=O)[O-])cn3)C2)c(F)c1 ZINC000877084864 690015055 /nfs/dbraw/zinc/01/50/55/690015055.db2.gz ONUOOXPZRHCWCI-UHFFFAOYSA-N 0 3 320.324 2.432 20 5 DEBDHN CO[C@@]1(CO)CCCN(Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877624838 690171351 /nfs/dbraw/zinc/17/13/51/690171351.db2.gz TVFOTAGTENGFBD-INIZCTEOSA-N 0 3 308.378 2.185 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCN(C)[C@H]1C ZINC000931262349 694351249 /nfs/dbraw/zinc/35/12/49/694351249.db2.gz UFHIAYHTIPELQZ-JQWIXIFHSA-N 0 3 322.365 2.208 20 5 DEBDHN O=C(CN[C@@H]1CCC[C@]12CCCO2)Nc1ccccc1[N+](=O)[O-] ZINC000880508811 690913406 /nfs/dbraw/zinc/91/34/06/690913406.db2.gz VRCDHTVJGGXVBR-ZBFHGGJFSA-N 0 3 319.361 2.225 20 5 DEBDHN CC(=O)c1c([N+](=O)[O-])cccc1N1CC[C@]2(CCN(C)C2)C1 ZINC000882397001 691275359 /nfs/dbraw/zinc/27/53/59/691275359.db2.gz JLWCTRVDJBXQLO-INIZCTEOSA-N 0 3 303.362 2.329 20 5 DEBDHN Cc1nc(C2CCN(Cc3cn(C)nc3[N+](=O)[O-])CC2)[nH]c1C ZINC000886659810 692150860 /nfs/dbraw/zinc/15/08/60/692150860.db2.gz VZPDVMZFPUVTLH-UHFFFAOYSA-N 0 3 318.381 2.048 20 5 DEBDHN COC[C@@H](NCc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCCOC1 ZINC000886916079 692230308 /nfs/dbraw/zinc/23/03/08/692230308.db2.gz NZWWLDLWFDQTGK-UKRRQHHQSA-N 0 3 324.377 2.135 20 5 DEBDHN CC(C)C(=O)N1C[C@H]2CN(Cc3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC001048685119 692677389 /nfs/dbraw/zinc/67/73/89/692677389.db2.gz LSDNWGOWGLQZFF-GASCZTMLSA-N 0 3 317.389 2.141 20 5 DEBDHN CC1(C)CCN(CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000890075145 692854237 /nfs/dbraw/zinc/85/42/37/692854237.db2.gz BGXGAUBSEQMCHD-UHFFFAOYSA-N 0 3 309.341 2.196 20 5 DEBDHN CN(CCNc1c([N+](=O)[O-])cnn1C)Cc1ccc(F)cc1 ZINC001351974363 1151641904 /nfs/dbraw/zinc/64/19/04/1151641904.db2.gz FWHISTNKFNLGKE-UHFFFAOYSA-N 0 3 307.329 2.011 20 5 DEBDHN C[C@@H]1CN(c2ncnc3cc([N+](=O)[O-])ccc32)[C@@H](C)CN1C ZINC001164632242 719190819 /nfs/dbraw/zinc/19/08/19/719190819.db2.gz DQDPTGHNMVOJOA-MNOVXSKESA-N 0 3 301.350 2.067 20 5 DEBDHN C[C@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)[C@@H](C)CN1C ZINC001164631797 719250718 /nfs/dbraw/zinc/25/07/18/719250718.db2.gz GDYIVAJNLUKVLF-QWRGUYRKSA-N 0 3 301.350 2.067 20 5 DEBDHN O=[N+]([O-])C[C@H]1CC[C@H](NCc2ncc(Br)s2)C1 ZINC001169000643 784997457 /nfs/dbraw/zinc/99/74/57/784997457.db2.gz YIZTUIRJFHYWSZ-YUMQZZPRSA-N 0 3 320.212 2.441 20 5 DEBDHN O=[N+]([O-])C[C@@H]1CC[C@H](NCc2cccnc2Br)C1 ZINC001168988323 785005511 /nfs/dbraw/zinc/00/55/11/785005511.db2.gz QWFRFKKTXWDSGY-KOLCDFICSA-N 0 3 314.183 2.379 20 5 DEBDHN C[C@H](N)c1ccn(-c2nc3cc([N+](=O)[O-])ccc3nc2Cl)n1 ZINC001169229711 785098821 /nfs/dbraw/zinc/09/88/21/785098821.db2.gz LCKUIVZRWLLYOT-ZETCQYMHSA-N 0 3 318.724 2.397 20 5 DEBDHN C[C@H](N)c1ccn(-c2ccc3cc(F)cc([N+](=O)[O-])c3n2)n1 ZINC001169231631 785099037 /nfs/dbraw/zinc/09/90/37/785099037.db2.gz OIASLUSDFGPXRN-QMMMGPOBSA-N 0 3 301.281 2.488 20 5 DEBDHN COc1ccc(C[C@H](C)NCc2cnccn2)c([N+](=O)[O-])c1 ZINC001170297019 786891802 /nfs/dbraw/zinc/89/18/02/786891802.db2.gz KCBKPWLETBNVCN-NSHDSACASA-N 0 3 302.334 2.114 20 5 DEBDHN Cc1cocc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001132482978 788099335 /nfs/dbraw/zinc/09/93/35/788099335.db2.gz MXTZWXFKFYASHY-UHFFFAOYSA-N 0 3 303.318 2.016 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1CN1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC001171936554 793267096 /nfs/dbraw/zinc/26/70/96/793267096.db2.gz CQHYCMGLIVVCEI-OSAQELSMSA-N 0 3 306.362 2.196 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1C[C@@H](F)C[C@H]1CO)CC2 ZINC001172910414 793542193 /nfs/dbraw/zinc/54/21/93/793542193.db2.gz ZFHRLVGNXQORBX-LZWOXQAQSA-N 0 3 308.353 2.247 20 5 DEBDHN Cc1noc(C)c1CCN[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001175324935 794182691 /nfs/dbraw/zinc/18/26/91/794182691.db2.gz WTCIDVXMVADNMG-MRXNPFEDSA-N 0 3 319.361 2.239 20 5 DEBDHN Cc1ccc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)o1 ZINC001123104515 795850992 /nfs/dbraw/zinc/85/09/92/795850992.db2.gz UOORTBRZRCPOCJ-UHFFFAOYSA-N 0 3 303.318 2.016 20 5 DEBDHN CCc1ccc(C(=O)N[C@H]2CN(C)CC2(C)C)cc1[N+](=O)[O-] ZINC001156591487 798036976 /nfs/dbraw/zinc/03/69/76/798036976.db2.gz WAIRUNLIAZIOJK-AWEZNQCLSA-N 0 3 305.378 2.227 20 5 DEBDHN COc1ccc(-n2c3ccccc3nc2[C@@H](C)N)nc1[N+](=O)[O-] ZINC001162758979 799167315 /nfs/dbraw/zinc/16/73/15/799167315.db2.gz MYANTOYJNRWEJO-SECBINFHSA-N 0 3 313.317 2.357 20 5 DEBDHN COc1ccc([N+](=O)[O-])nc1-n1c2ccccc2nc1[C@@H](C)N ZINC001162767171 799168730 /nfs/dbraw/zinc/16/87/30/799168730.db2.gz SKGSKBICSWXNRM-SECBINFHSA-N 0 3 313.317 2.357 20 5 DEBDHN CC(C)(C)N1CCN(c2cnc3ccc([N+](=O)[O-])cc3n2)CC1 ZINC001165087287 799648175 /nfs/dbraw/zinc/64/81/75/799648175.db2.gz AMLMSDFUCHHRMG-UHFFFAOYSA-N 0 3 315.377 2.459 20 5 DEBDHN Cc1c(CN2CCC3(CC2)C[C@@H](O)CCO3)cccc1[N+](=O)[O-] ZINC000933062159 800002850 /nfs/dbraw/zinc/00/28/50/800002850.db2.gz FKQRYHCAJNJTFK-HNNXBMFYSA-N 0 3 320.389 2.409 20 5 DEBDHN NC(=O)[C@]12CCC[C@H]1CN(Cc1cc([N+](=O)[O-])ccc1Cl)C2 ZINC000933756865 800178594 /nfs/dbraw/zinc/17/85/94/800178594.db2.gz ZCOZPKUCHQVCDJ-NHYWBVRUSA-N 0 3 323.780 2.336 20 5 DEBDHN CC(C)N(CCN(C)C)C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000935026315 800534142 /nfs/dbraw/zinc/53/41/42/800534142.db2.gz UHTYXKXBJROOLT-HOTGVXAUSA-N 0 3 319.405 2.497 20 5 DEBDHN CC(C)N(CCN(C)C)C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000935026316 800534273 /nfs/dbraw/zinc/53/42/73/800534273.db2.gz UHTYXKXBJROOLT-HZPDHXFCSA-N 0 3 319.405 2.497 20 5 DEBDHN CCN1CC[C@@H](Oc2cc(C)c([N+](=O)[O-])cc2C(=O)OC)C1 ZINC001229958836 801342305 /nfs/dbraw/zinc/34/23/05/801342305.db2.gz WMGLINWOJCVYNG-LLVKDONJSA-N 0 3 308.334 2.163 20 5 DEBDHN Cc1cc(O[C@@H]2CC[C@@H]3NCCO[C@@H]23)c(C)c(C)c1[N+](=O)[O-] ZINC001218129298 802145669 /nfs/dbraw/zinc/14/56/69/802145669.db2.gz HFGQCPZSYKKNSF-WOSRLPQWSA-N 0 3 306.362 2.418 20 5 DEBDHN COCCN1CCC(Oc2cc(F)cc(F)c2[N+](=O)[O-])CC1 ZINC001228614685 803381151 /nfs/dbraw/zinc/38/11/51/803381151.db2.gz XQDIBIQNDQUYJZ-UHFFFAOYSA-N 0 3 316.304 2.363 20 5 DEBDHN CCCC(=O)NC[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001479274764 1061356610 /nfs/dbraw/zinc/35/66/10/1061356610.db2.gz NGHPVCOASQMQLY-XBXGTLAGSA-N 0 3 305.378 2.379 20 5 DEBDHN C[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC001574099230 1069152644 /nfs/dbraw/zinc/15/26/44/1069152644.db2.gz SNZJTXYHZLZYIT-DOMZBBRYSA-N 0 3 313.357 2.342 20 5 DEBDHN Cc1ccc(NC(=O)C23CCCN2CCC3)c(N)c1[N+](=O)[O-] ZINC001648296027 1074992020 /nfs/dbraw/zinc/99/20/20/1074992020.db2.gz SYQJVCBQFAGLLU-UHFFFAOYSA-N 0 3 304.350 2.052 20 5 DEBDHN O=[N+]([O-])c1ccc(OCCNCc2cnn3ccccc23)cc1 ZINC001657104995 1080156751 /nfs/dbraw/zinc/15/67/51/1080156751.db2.gz PMRGZXAAMMDSMG-UHFFFAOYSA-N 0 3 312.329 2.411 20 5 DEBDHN CCOCC(C)(C)C[NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC001119969607 1090595167 /nfs/dbraw/zinc/59/51/67/1090595167.db2.gz GWQKXICDOBODRF-UHFFFAOYSA-N 0 3 312.366 2.461 20 5 DEBDHN Cc1ccc(CN2CCC[C@@H](C(=O)NC3CC3)C2)cc1[N+](=O)[O-] ZINC001319814404 1140734635 /nfs/dbraw/zinc/73/46/35/1140734635.db2.gz DSTYTGNLGTWHLO-CQSZACIVSA-N 0 3 317.389 2.394 20 5 DEBDHN O=[N+]([O-])c1cc(F)cnc1-c1noc(C23CCCN2CCC3)n1 ZINC001249222891 1141862187 /nfs/dbraw/zinc/86/21/87/1141862187.db2.gz OGERUUKBYRERLQ-UHFFFAOYSA-N 0 3 319.296 2.264 20 5 DEBDHN COc1c(O)ccc(CN(C[C@@H]2CCOC2)C2CC2)c1[N+](=O)[O-] ZINC001336672826 1142530327 /nfs/dbraw/zinc/53/03/27/1142530327.db2.gz IPTQTOFELVDYJG-NSHDSACASA-N 0 3 322.361 2.310 20 5 DEBDHN Cn1cc2c(n1)CCC[C@@H]2NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001336704826 1142538996 /nfs/dbraw/zinc/53/89/96/1142538996.db2.gz XCOPWPMTQZAXLX-HOCLYGCPSA-N 0 3 316.361 2.029 20 5 DEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCC(=O)NCC(C)C ZINC001338757890 1142876172 /nfs/dbraw/zinc/87/61/72/1142876172.db2.gz RBNGBNKCEFUNAV-QPEQYQDCSA-N 0 3 305.378 2.360 20 5 DEBDHN O=[N+]([O-])c1ccc(-c2nc([C@H]3CN4CCC3CC4)no2)cc1 ZINC001342543078 1143822845 /nfs/dbraw/zinc/82/28/45/1143822845.db2.gz ABLDEHICIXKBDV-ZDUSSCGKSA-N 0 3 300.318 2.454 20 5 DEBDHN CN1CCCC[C@H]1CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001342868432 1143840726 /nfs/dbraw/zinc/84/07/26/1143840726.db2.gz IPKFRYMKYOXEFI-HNNXBMFYSA-N 0 3 318.377 2.104 20 5 DEBDHN CC[C@H]1CN(CC)CCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001261263652 1144229091 /nfs/dbraw/zinc/22/90/91/1144229091.db2.gz OWOUJQDAVASZIY-GOEBONIOSA-N 0 3 307.394 2.044 20 5 DEBDHN Cn1ncc(CNCCOc2ccc([N+](=O)[O-])cc2)c1C1CC1 ZINC001262360195 1144309224 /nfs/dbraw/zinc/30/92/24/1144309224.db2.gz YTDFSHZFCLYCSG-UHFFFAOYSA-N 0 3 316.361 2.374 20 5 DEBDHN C[C@H]1CN(C2CCOCC2)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000278770832 214388052 /nfs/dbraw/zinc/38/80/52/214388052.db2.gz WMWZLXQGRXBAAK-AWEZNQCLSA-N 0 3 319.405 2.280 20 5 DEBDHN COCCN1CC[C@@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000278771169 214390007 /nfs/dbraw/zinc/39/00/07/214390007.db2.gz PFXUOXKSTKYDPI-PBHICJAKSA-N 0 3 319.405 2.283 20 5 DEBDHN CCNC(=O)N1CC[C@H](N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000090410010 185294921 /nfs/dbraw/zinc/29/49/21/185294921.db2.gz CHUWNROCNOGRPY-OCCSQVGLSA-N 0 3 320.393 2.358 20 5 DEBDHN CCNC(=O)N1CC[C@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000090410246 185294939 /nfs/dbraw/zinc/29/49/39/185294939.db2.gz QWBSSTNZCPBUFK-AAEUAGOBSA-N 0 3 306.366 2.049 20 5 DEBDHN Cc1ccc([C@@H](C)NCC2(CO)CCOCC2)cc1[N+](=O)[O-] ZINC000090660876 185308412 /nfs/dbraw/zinc/30/84/12/185308412.db2.gz FMFOTFQNIWHXTK-CYBMUJFWSA-N 0 3 308.378 2.343 20 5 DEBDHN COc1cc(CN[C@H]2CC[C@@H](OC)C2)c([N+](=O)[O-])cc1OC ZINC000190943613 282328163 /nfs/dbraw/zinc/32/81/63/282328163.db2.gz BMJSSEWIZKBUJG-NWDGAFQWSA-N 0 3 310.350 2.269 20 5 DEBDHN CN1CC[C@@H]2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000272675295 210079304 /nfs/dbraw/zinc/07/93/04/210079304.db2.gz UNPPGAXCYAZMKP-LFECJLGQSA-N 0 3 315.373 2.161 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](CC(C)C)N(C)C ZINC000277620442 213639755 /nfs/dbraw/zinc/63/97/55/213639755.db2.gz QXQVFISQXYONSR-CYBMUJFWSA-N 0 3 323.393 2.310 20 5 DEBDHN C[C@H](C(=O)N[C@@H]1CCN(C2CC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000331371083 233212236 /nfs/dbraw/zinc/21/22/36/233212236.db2.gz DOJYQRTUZFHRFS-WDEREUQCSA-N 0 3 321.352 2.190 20 5 DEBDHN CCC1(CC)[C@H](OC)C[C@@H]1N(C)CCn1ccc([N+](=O)[O-])n1 ZINC000140655838 186027297 /nfs/dbraw/zinc/02/72/97/186027297.db2.gz UHEJTBKXWZNBAD-QWHCGFSZSA-N 0 3 310.398 2.317 20 5 DEBDHN CCOc1cc(CNC2(COC)CCOCC2)ccc1[N+](=O)[O-] ZINC000595502217 358466703 /nfs/dbraw/zinc/46/67/03/358466703.db2.gz XGOCWSMEZTZGPE-UHFFFAOYSA-N 0 3 324.377 2.279 20 5 DEBDHN C[C@H](NCCN1CCOCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000173381109 198208366 /nfs/dbraw/zinc/20/83/66/198208366.db2.gz ASUGAFBNDVPDCO-ZDUSSCGKSA-N 0 3 307.394 2.356 20 5 DEBDHN CC(C)[C@@H](C)N(C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000030149382 354120178 /nfs/dbraw/zinc/12/01/78/354120178.db2.gz NAZBGVXVDDMIDZ-SNVBAGLBSA-N 0 3 323.349 2.238 20 5 DEBDHN CC(C)CN(C(=O)c1cc([N+](=O)[O-])c[nH]1)C1CCN(C)CC1 ZINC000053223498 354427092 /nfs/dbraw/zinc/42/70/92/354427092.db2.gz LFRMWLDJQKEADT-UHFFFAOYSA-N 0 3 308.382 2.115 20 5 DEBDHN CC1CCN(C[C@@H](O)CNc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000067373171 354759962 /nfs/dbraw/zinc/75/99/62/354759962.db2.gz FZLXDRGEXUAHQS-ZDUSSCGKSA-N 0 3 311.357 2.239 20 5 DEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000072831022 354923170 /nfs/dbraw/zinc/92/31/70/354923170.db2.gz YSPHWMABEWQLIO-MLGOLLRUSA-N 0 3 303.362 2.258 20 5 DEBDHN CCN1CCN([C@H](C)CNc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000079905764 355335613 /nfs/dbraw/zinc/33/56/13/355335613.db2.gz LBYHHIQTOHSURH-CQSZACIVSA-N 0 3 306.410 2.341 20 5 DEBDHN CCc1ccc(CN(C)CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000090512183 355562110 /nfs/dbraw/zinc/56/21/10/355562110.db2.gz KZPUXMZIXPKTAM-UHFFFAOYSA-N 0 3 315.373 2.451 20 5 DEBDHN CCN(C)CCNc1cc(Cl)c(C(=O)OC)cc1[N+](=O)[O-] ZINC000091461389 355596977 /nfs/dbraw/zinc/59/69/77/355596977.db2.gz NXDXUXHTBHUNLW-UHFFFAOYSA-N 0 3 315.757 2.398 20 5 DEBDHN CC[C@H](C)[C@H](C)NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000183014206 356156495 /nfs/dbraw/zinc/15/64/95/356156495.db2.gz MJNKGYTZDADLHM-UWVGGRQHSA-N 0 3 323.349 2.286 20 5 DEBDHN C[C@H](C(=O)N(C)[C@@H]1CCCN(C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000184232050 356188495 /nfs/dbraw/zinc/18/84/95/356188495.db2.gz HBTVIMWUYOBBSK-WCQYABFASA-N 0 3 323.368 2.390 20 5 DEBDHN C[C@@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)N(C)C1CC1 ZINC000185179396 356203199 /nfs/dbraw/zinc/20/31/99/356203199.db2.gz BEHBTCAQDQNOKZ-QWRGUYRKSA-N 0 3 323.368 2.436 20 5 DEBDHN COC[C@](C)(O)CN[C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000581418672 357184038 /nfs/dbraw/zinc/18/40/38/357184038.db2.gz LIQRLHCSNLAOTI-JKSUJKDBSA-N 0 3 308.378 2.349 20 5 DEBDHN COCC(C)(C)CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589938575 357506518 /nfs/dbraw/zinc/50/65/18/357506518.db2.gz WDCBCFLHGCSYQS-UHFFFAOYSA-N 0 3 310.350 2.128 20 5 DEBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCNCC1(C)C ZINC000591678399 357750982 /nfs/dbraw/zinc/75/09/82/357750982.db2.gz SUCXIRCWVKONKA-LLVKDONJSA-N 0 3 323.418 2.286 20 5 DEBDHN O=[N+]([O-])c1ccccc1CN[C@H](CO)Cc1ccc(F)cc1 ZINC000276729786 213071705 /nfs/dbraw/zinc/07/17/05/213071705.db2.gz VDAKYQCMEYVZHT-HNNXBMFYSA-N 0 3 304.321 2.427 20 5 DEBDHN CN(CCN1CCCCC1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000593882392 358163931 /nfs/dbraw/zinc/16/39/31/358163931.db2.gz FHOHUMDUBDGVAF-UHFFFAOYSA-N 0 3 305.378 2.082 20 5 DEBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCC[C@@]1(O)CCCOC1 ZINC000594507412 358286259 /nfs/dbraw/zinc/28/62/59/358286259.db2.gz MDSGSHIQIJHDAJ-HOCLYGCPSA-N 0 3 306.362 2.103 20 5 DEBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCCOC[C@H]1CCOC1 ZINC000594495597 358283405 /nfs/dbraw/zinc/28/34/05/358283405.db2.gz QRHKVPFQHWBKHR-SWLSCSKDSA-N 0 3 306.362 2.225 20 5 DEBDHN C[C@H](CO)[C@H]1CCCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000595671527 358517785 /nfs/dbraw/zinc/51/77/85/358517785.db2.gz SROWSURYAZTBOX-CZUORRHYSA-N 0 3 308.378 2.457 20 5 DEBDHN C[C@@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)[C@@H]1CCO ZINC000595695345 358525673 /nfs/dbraw/zinc/52/56/73/358525673.db2.gz GWIBQFAVUAUTAK-CZUORRHYSA-N 0 3 308.378 2.457 20 5 DEBDHN CCCN1CC[C@H](NC(=O)c2c(OCC)cccc2[N+](=O)[O-])C1 ZINC000598342315 359168785 /nfs/dbraw/zinc/16/87/85/359168785.db2.gz MAIICNSFLKFHPT-LBPRGKRZSA-N 0 3 321.377 2.208 20 5 DEBDHN CSc1cccc(C(=O)N2CCN[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000598571987 359246158 /nfs/dbraw/zinc/24/61/58/359246158.db2.gz JJLAPNJERUZQKH-LBPRGKRZSA-N 0 3 323.418 2.387 20 5 DEBDHN CC[C@]1(CO)CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000187566217 200128759 /nfs/dbraw/zinc/12/87/59/200128759.db2.gz LJDKBVOMRLBRPX-HOTGVXAUSA-N 0 3 308.378 2.113 20 5 DEBDHN CN(CC1CCN(C)CC1)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601038198 359902081 /nfs/dbraw/zinc/90/20/81/359902081.db2.gz JKCAIAISHVQVNF-UHFFFAOYSA-N 0 3 309.341 2.148 20 5 DEBDHN C[C@@H]1CCCN(CCNC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000600997974 359887366 /nfs/dbraw/zinc/88/73/66/359887366.db2.gz PKRUZRVIMSVIKZ-LLVKDONJSA-N 0 3 309.341 2.196 20 5 DEBDHN CC(C)(C)N1C[C@@H](NCCc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000602573856 360439991 /nfs/dbraw/zinc/43/99/91/360439991.db2.gz VXPBTCCXMCUEOS-ZDUSSCGKSA-N 0 3 305.378 2.126 20 5 DEBDHN O=[N+]([O-])c1cccc2c1ccnc2NC[C@H]1CSCCN1 ZINC000603418242 360826129 /nfs/dbraw/zinc/82/61/29/360826129.db2.gz FCWUDLDWVBOTTI-JTQLQIEISA-N 0 3 304.375 2.260 20 5 DEBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@H](O)C23CCCC3)c1 ZINC000292710106 223211769 /nfs/dbraw/zinc/21/17/69/223211769.db2.gz LJYWYMCEUBWNGH-GJZGRUSLSA-N 0 3 306.362 2.008 20 5 DEBDHN CC[C@@H](C)[C@](C)(O)CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000609571475 361320937 /nfs/dbraw/zinc/32/09/37/361320937.db2.gz JMBLFOFMHVVEGX-BDJLRTHQSA-N 0 3 324.377 2.253 20 5 DEBDHN C[C@H](NC(=O)N[C@@H]1CCN(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000609640200 361331727 /nfs/dbraw/zinc/33/17/27/361331727.db2.gz AKMCKWORLQVPDG-WCQYABFASA-N 0 3 318.377 2.192 20 5 DEBDHN O=[N+]([O-])c1cc(F)ccc1N1CCCN(C[C@H]2CCCO2)CC1 ZINC000610489256 361407679 /nfs/dbraw/zinc/40/76/79/361407679.db2.gz SUJJNUDSBLGXRQ-CQSZACIVSA-N 0 3 323.368 2.425 20 5 DEBDHN COCCN(CCn1c(C)ncc1[N+](=O)[O-])Cc1ccccc1 ZINC000610782573 361465358 /nfs/dbraw/zinc/46/53/58/361465358.db2.gz ZUVNZTQLEPGTIP-UHFFFAOYSA-N 0 3 318.377 2.248 20 5 DEBDHN Cn1ccc(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1=O ZINC000611211353 361550745 /nfs/dbraw/zinc/55/07/45/361550745.db2.gz LEQGHMUGHVNSAW-UHFFFAOYSA-N 0 3 313.357 2.458 20 5 DEBDHN CN(C)C[C@@H](CO)NC(=O)c1cc2ccccc2c2cccnc12 ZINC000673522685 541117544 /nfs/dbraw/zinc/11/75/44/541117544.db2.gz SHWKECGFWARVGJ-AWEZNQCLSA-N 0 3 323.396 2.040 20 5 DEBDHN C[C@H]1CN(C)CC[C@H]1N(C)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611707663 361663091 /nfs/dbraw/zinc/66/30/91/361663091.db2.gz KGHXADCRSODVGJ-XHDPSFHLSA-N 0 3 315.377 2.314 20 5 DEBDHN CN(C)CCN(CC1CCCCC1)c1c([N+](=O)[O-])ncn1C ZINC000448129707 239260187 /nfs/dbraw/zinc/26/01/87/239260187.db2.gz SSWXGMUISCWULR-UHFFFAOYSA-N 0 3 309.414 2.277 20 5 DEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NC[C@@](C)(O)C(F)(F)F ZINC000449207425 240199748 /nfs/dbraw/zinc/19/97/48/240199748.db2.gz CABTZZXAJVKKPH-JOYOIKCWSA-N 0 3 306.284 2.429 20 5 DEBDHN Cc1cc(C(=O)N2CCN(C3CC3)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000452170691 244001636 /nfs/dbraw/zinc/00/16/36/244001636.db2.gz MEUUNNIUGVQAOA-LBPRGKRZSA-N 0 3 317.389 2.460 20 5 DEBDHN CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC(C)(C)O ZINC000093414392 193247398 /nfs/dbraw/zinc/24/73/98/193247398.db2.gz WFANLEPAVUWJAV-UHFFFAOYSA-N 0 3 318.377 2.198 20 5 DEBDHN O=C(N[C@H]1CCN(C2CCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000376615594 284196723 /nfs/dbraw/zinc/19/67/23/284196723.db2.gz CZSFVHHXAVMPDC-LBPRGKRZSA-N 0 3 303.362 2.342 20 5 DEBDHN CC[C@H](C(=O)NCCc1ccccc1[N+](=O)[O-])N(CC)CC ZINC000266020856 205033498 /nfs/dbraw/zinc/03/34/98/205033498.db2.gz FZGPAMPGFPYLRJ-CQSZACIVSA-N 0 3 307.394 2.374 20 5 DEBDHN C[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000266454310 205358867 /nfs/dbraw/zinc/35/88/67/205358867.db2.gz PAQFFWSBDSTUDC-YGRLFVJLSA-N 0 3 324.768 2.156 20 5 DEBDHN CCN1CCCC[C@H]1C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000288442566 220143530 /nfs/dbraw/zinc/14/35/30/220143530.db2.gz SLKSGPPGESEVLZ-INIZCTEOSA-N 0 3 319.405 2.470 20 5 DEBDHN COc1cc(NC[C@@]2(N(C)C)CCSC2)ccc1[N+](=O)[O-] ZINC000267069364 205783382 /nfs/dbraw/zinc/78/33/82/205783382.db2.gz IHVPWCFQYZSYEG-AWEZNQCLSA-N 0 3 311.407 2.453 20 5 DEBDHN COc1cc(C(=O)N[C@H](C)CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000160108301 197386441 /nfs/dbraw/zinc/38/64/41/197386441.db2.gz WGPFBJMZFRRPDA-GFCCVEGCSA-N 0 3 321.377 2.208 20 5 DEBDHN CN(C)C[C@@H]1CCCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000267446622 206073891 /nfs/dbraw/zinc/07/38/91/206073891.db2.gz DHOKHZGFVFQVKP-VSGCLNPGSA-N 0 3 303.362 2.161 20 5 DEBDHN C[C@H](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C1=CCN(C)CC1 ZINC000492534510 249083759 /nfs/dbraw/zinc/08/37/59/249083759.db2.gz MYULFGRDJHLNES-UJZCVKTISA-N 0 3 315.373 2.375 20 5 DEBDHN C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cn2)CN1Cc1ccccc1 ZINC000274007990 211265412 /nfs/dbraw/zinc/26/54/12/211265412.db2.gz UOJDRBPLOZAMFF-JSGCOSHPSA-N 0 3 313.361 2.460 20 5 DEBDHN C[C@H](NC(=O)N1CCC[C@H](N(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000105159708 194080331 /nfs/dbraw/zinc/08/03/31/194080331.db2.gz NUCVCJFZMQNTCR-WFASDCNBSA-N 0 3 320.393 2.391 20 5 DEBDHN Cc1ccc([C@@H](C)NC[C@@H](O)c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000268926068 207090573 /nfs/dbraw/zinc/09/05/73/207090573.db2.gz WFXLKSOGRMGUCU-IAQYHMDHSA-N 0 3 304.350 2.021 20 5 DEBDHN CC(C)N1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000055901461 183999769 /nfs/dbraw/zinc/99/97/69/183999769.db2.gz PDLQHBQQCIBNDP-UHFFFAOYSA-N 0 3 307.394 2.390 20 5 DEBDHN NC(=O)[C@@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000157134867 197164427 /nfs/dbraw/zinc/16/44/27/197164427.db2.gz YRWBYWREDIHEIG-LLVKDONJSA-N 0 3 315.329 2.162 20 5 DEBDHN COc1ccc(C(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000120640504 195207527 /nfs/dbraw/zinc/20/75/27/195207527.db2.gz INOHPACYMIGWDV-AAEUAGOBSA-N 0 3 321.377 2.016 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCC1(O)CCOCC1 ZINC000560575126 291941653 /nfs/dbraw/zinc/94/16/53/291941653.db2.gz UVAZENOIUKIFRK-CYBMUJFWSA-N 0 3 308.378 2.485 20 5 DEBDHN COc1nccc(CNCCc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000294981147 224357208 /nfs/dbraw/zinc/35/72/08/224357208.db2.gz GESLKYQZBKNGBR-UHFFFAOYSA-N 0 3 322.752 2.379 20 5 DEBDHN Cc1cc(Cl)c(C(=O)NC[C@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000295000916 224369705 /nfs/dbraw/zinc/36/97/05/224369705.db2.gz ZXURVVFUWZHOPP-SNVBAGLBSA-N 0 3 311.769 2.381 20 5 DEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@@H]1CCS(=O)(=O)[C@@H]1C ZINC000353855416 533409754 /nfs/dbraw/zinc/40/97/54/533409754.db2.gz MMSFDBSECKPMOC-ZZUQXNNYSA-N 0 3 324.402 2.163 20 5 DEBDHN Cc1c([C@H](C)NCCC2(O)CCOCC2)cccc1[N+](=O)[O-] ZINC000353869458 133008049 /nfs/dbraw/zinc/00/80/49/133008049.db2.gz KWVRFKIWUXDYBC-ZDUSSCGKSA-N 0 3 308.378 2.485 20 5 DEBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000360086201 133160923 /nfs/dbraw/zinc/16/09/23/133160923.db2.gz SAWKQPXJNVVWNP-LLVKDONJSA-N 0 3 309.341 2.148 20 5 DEBDHN CC(C)N1CC[C@H](N(C)C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000563022306 292025618 /nfs/dbraw/zinc/02/56/18/292025618.db2.gz IOYQRZVWGSUROW-HNNXBMFYSA-N 0 3 320.393 2.219 20 5 DEBDHN CC[C@H](C)[C@@H](N)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000178540018 144859747 /nfs/dbraw/zinc/85/97/47/144859747.db2.gz YIDZRJGZVHYCAX-SWLSCSKDSA-N 0 3 307.394 2.407 20 5 DEBDHN Cc1ccc(C(=O)NCc2ccc3c(c2)CNC3)cc1[N+](=O)[O-] ZINC000188690941 145015977 /nfs/dbraw/zinc/01/59/77/145015977.db2.gz ARYWJZXUWOILEP-UHFFFAOYSA-N 0 3 311.341 2.436 20 5 DEBDHN Cc1c(CN2CCN(CC(C)(C)O)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000189925318 145036119 /nfs/dbraw/zinc/03/61/19/145036119.db2.gz MKJSJSBMTFIBBL-CYBMUJFWSA-N 0 3 321.421 2.180 20 5 DEBDHN CC1(C)CCCN[C@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000262572382 145294435 /nfs/dbraw/zinc/29/44/35/145294435.db2.gz XPLDHLQPQFWWCG-AWEZNQCLSA-N 0 3 305.378 2.032 20 5 DEBDHN CNc1c(C(=O)N(C)CC2(N(C)C)CCC2)cccc1[N+](=O)[O-] ZINC000322442562 145378675 /nfs/dbraw/zinc/37/86/75/145378675.db2.gz DXTOBVMTBZQPBP-UHFFFAOYSA-N 0 3 320.393 2.193 20 5 DEBDHN CNC(=O)[C@@H]1CCC[C@H]1NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000348168365 146227638 /nfs/dbraw/zinc/22/76/38/146227638.db2.gz QYDLVPMKDRRDIV-VXGBXAGGSA-N 0 3 311.769 2.253 20 5 DEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC(C3CCC3)C2)c1 ZINC000348973773 146335370 /nfs/dbraw/zinc/33/53/70/146335370.db2.gz JCXMYZFGESRVEO-HNNXBMFYSA-N 0 3 306.362 2.066 20 5 DEBDHN COc1ccc(OCCN2CCN(C)[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000357064897 147033072 /nfs/dbraw/zinc/03/30/72/147033072.db2.gz JTTIXMJVTDEVKV-OLZOCXBDSA-N 0 3 323.393 2.007 20 5 DEBDHN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCCN(C)CC ZINC000359508509 147339580 /nfs/dbraw/zinc/33/95/80/147339580.db2.gz OJBVURCOERJYMA-UHFFFAOYSA-N 0 3 313.329 2.274 20 5 DEBDHN CCC(C)(C)C(=O)Cn1c(=O)onc1-c1cccc([N+](=O)[O-])c1 ZINC000565715564 292177329 /nfs/dbraw/zinc/17/73/29/292177329.db2.gz FJXBTMJRQAROEV-UHFFFAOYSA-N 0 3 319.317 2.417 20 5 DEBDHN Cc1c(NC(=O)CCN2CCOC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000374349804 148234128 /nfs/dbraw/zinc/23/41/28/148234128.db2.gz IOUAEMCFDINLNR-LBPRGKRZSA-N 0 3 321.377 2.200 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H](C)CCS(C)(=O)=O ZINC000127285831 401727418 /nfs/dbraw/zinc/72/74/18/401727418.db2.gz PZUJCWCQTNCPCZ-VXGBXAGGSA-N 0 3 314.407 2.377 20 5 DEBDHN CC[C@H](N[C@H](C)CCS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000127360582 401730998 /nfs/dbraw/zinc/73/09/98/401730998.db2.gz QBZZBMHOOACSPS-RISCZKNCSA-N 0 3 314.407 2.459 20 5 DEBDHN O=C(NC[C@@H]1CCN(C2CC2)C1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000071970341 401699887 /nfs/dbraw/zinc/69/98/87/401699887.db2.gz JKWUBSBFQDCISV-JTQLQIEISA-N 0 3 323.780 2.462 20 5 DEBDHN O=C(Nc1cccc([N+](=O)[O-])c1)NC1CCN(C2CC2)CC1 ZINC000010464479 401770181 /nfs/dbraw/zinc/77/01/81/401770181.db2.gz PYYYFQIEJLEGIC-UHFFFAOYSA-N 0 3 304.350 2.343 20 5 DEBDHN Cc1c(C(=O)N(C)C[C@@H]2CCCN(C)C2)cccc1[N+](=O)[O-] ZINC000115436510 401827993 /nfs/dbraw/zinc/82/79/93/401827993.db2.gz LEWQRCLYMFBTHV-CYBMUJFWSA-N 0 3 305.378 2.317 20 5 DEBDHN CCOC(=O)c1ccnc(NC[C@H]2CCCN2CC)c1[N+](=O)[O-] ZINC000077902908 401836533 /nfs/dbraw/zinc/83/65/33/401836533.db2.gz YHJLMFYFQAUMKP-LLVKDONJSA-N 0 3 322.365 2.063 20 5 DEBDHN CN1CCC(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000080056401 401887778 /nfs/dbraw/zinc/88/77/78/401887778.db2.gz WDFLZUOSWDLSKV-UHFFFAOYSA-N 0 3 320.393 2.223 20 5 DEBDHN COC[C@@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000136639297 401970863 /nfs/dbraw/zinc/97/08/63/401970863.db2.gz OBAHDXHFNDCUEO-SMDDNHRTSA-N 0 3 321.377 2.245 20 5 DEBDHN CCOc1ccc([C@H](C)NCC[C@@H](O)COC)cc1[N+](=O)[O-] ZINC000090950722 401989262 /nfs/dbraw/zinc/98/92/62/401989262.db2.gz AYYRGOBDHJMZHS-WCQYABFASA-N 0 3 312.366 2.042 20 5 DEBDHN CCN1CCCC[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000154000103 402185992 /nfs/dbraw/zinc/18/59/92/402185992.db2.gz OMJIYQSMSNDEJM-AWEZNQCLSA-N 0 3 323.368 2.267 20 5 DEBDHN CN(C)[C@@H]1CCCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000068342039 402194419 /nfs/dbraw/zinc/19/44/19/402194419.db2.gz YYPZQZGKOYAUMM-ATWMFIQVSA-N 0 3 303.362 2.161 20 5 DEBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@@H](Nc3ccccc3)C2)n1 ZINC000154851413 402235730 /nfs/dbraw/zinc/23/57/30/402235730.db2.gz PVATXOYCXGEAOZ-OAHLLOKOSA-N 0 3 315.377 2.368 20 5 DEBDHN CC(C)c1ccc(CN2CCC[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000155061990 402244021 /nfs/dbraw/zinc/24/40/21/402244021.db2.gz IPNSKSORTSBUGQ-CYBMUJFWSA-N 0 3 305.378 2.416 20 5 DEBDHN CN(CCC1CCOCC1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154444217 402212956 /nfs/dbraw/zinc/21/29/56/402212956.db2.gz ZXHAIIAGTXNUNY-INIZCTEOSA-N 0 3 308.378 2.377 20 5 DEBDHN CN(CCOc1cccc(Cl)c1)CCn1ccc([N+](=O)[O-])n1 ZINC000176198686 402289697 /nfs/dbraw/zinc/28/96/97/402289697.db2.gz XPIVWMOVACMEIX-UHFFFAOYSA-N 0 3 324.768 2.456 20 5 DEBDHN Cc1nc2n(n1)C[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1C)CC2 ZINC000160437998 402345413 /nfs/dbraw/zinc/34/54/13/402345413.db2.gz WDTVBIGSKGKCRV-WCQYABFASA-N 0 3 315.377 2.469 20 5 DEBDHN CN(C)CCN(C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000177021977 402360328 /nfs/dbraw/zinc/36/03/28/402360328.db2.gz KXPUZWLECGCEEB-UHFFFAOYSA-N 0 3 300.746 2.274 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000177068148 402366192 /nfs/dbraw/zinc/36/61/92/402366192.db2.gz LWWMWDHQFOVURW-RYUDHWBXSA-N 0 3 303.362 2.258 20 5 DEBDHN Cc1ccc(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000177079535 402367426 /nfs/dbraw/zinc/36/74/26/402367426.db2.gz JXENZFYOOSKUGR-AAEUAGOBSA-N 0 3 303.362 2.258 20 5 DEBDHN Cc1ccc(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000177079564 402367740 /nfs/dbraw/zinc/36/77/40/402367740.db2.gz JXENZFYOOSKUGR-YPMHNXCESA-N 0 3 303.362 2.258 20 5 DEBDHN C[C@H]1C[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000177639820 402422912 /nfs/dbraw/zinc/42/29/12/402422912.db2.gz HPUDGQKIFYRRNU-CMPLNLGQSA-N 0 3 304.350 2.342 20 5 DEBDHN CCO[C@H]1C[C@@](CO)(NCc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000186588444 402445248 /nfs/dbraw/zinc/44/52/48/402445248.db2.gz PMWRBABSJSKLIK-HOCLYGCPSA-N 0 3 308.378 2.251 20 5 DEBDHN Cc1c(Br)c(NC[C@H](C)N(C)C)ncc1[N+](=O)[O-] ZINC000165731220 402478385 /nfs/dbraw/zinc/47/83/85/402478385.db2.gz CJMYYUWZTYJFAP-ZETCQYMHSA-N 0 3 317.187 2.423 20 5 DEBDHN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H]1CN1CCCC1 ZINC000170684565 402514361 /nfs/dbraw/zinc/51/43/61/402514361.db2.gz HANPJHQGJIYUIK-CYBMUJFWSA-N 0 3 321.352 2.434 20 5 DEBDHN CN(C)C1(CN(C)C(=O)NCc2ccccc2[N+](=O)[O-])CCC1 ZINC000189682709 402552062 /nfs/dbraw/zinc/55/20/62/402552062.db2.gz DZQALJMRQICJHW-UHFFFAOYSA-N 0 3 320.393 2.221 20 5 DEBDHN CN(C)C1(CN(C)C(=O)NCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000189692807 402552932 /nfs/dbraw/zinc/55/29/32/402552932.db2.gz PBHQLSUSCHZLTB-UHFFFAOYSA-N 0 3 320.393 2.221 20 5 DEBDHN CSc1cccc(C(=O)NC[C@H]2CCCN2C)c1[N+](=O)[O-] ZINC000188083631 402515226 /nfs/dbraw/zinc/51/52/26/402515226.db2.gz UQAVJTFAZRUAPY-SNVBAGLBSA-N 0 3 309.391 2.141 20 5 DEBDHN C[C@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000248389286 402588322 /nfs/dbraw/zinc/58/83/22/402588322.db2.gz ASZLVCNYUQLSQB-VXGBXAGGSA-N 0 3 321.381 2.232 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCN1CCCC1 ZINC000180342100 402613751 /nfs/dbraw/zinc/61/37/51/402613751.db2.gz UORAFHPWFGDCTB-UHFFFAOYSA-N 0 3 305.378 2.346 20 5 DEBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCNC(C)(C)C1 ZINC000175424506 402805841 /nfs/dbraw/zinc/80/58/41/402805841.db2.gz NSSOWQFAZTVULB-NSHDSACASA-N 0 3 323.418 2.286 20 5 DEBDHN COc1cc(CN2CCN(CC3CC3)CC2)c([N+](=O)[O-])cc1F ZINC000184247744 402830269 /nfs/dbraw/zinc/83/02/69/402830269.db2.gz IRQKJQUAENSAIA-UHFFFAOYSA-N 0 3 323.368 2.270 20 5 DEBDHN CCOc1ccc([C@@H](C)N[C@H](C)C[S@](C)=O)cc1[N+](=O)[O-] ZINC000184303728 402834466 /nfs/dbraw/zinc/83/44/66/402834466.db2.gz DDJKQFFGXDZGFO-BJFPOWJFSA-N 0 3 314.407 2.411 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000278893408 402883067 /nfs/dbraw/zinc/88/30/67/402883067.db2.gz ZQUKMVOELXHLET-YPMHNXCESA-N 0 3 303.362 2.116 20 5 DEBDHN C[NH+](C)C(C)(C)C[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272457874 402939942 /nfs/dbraw/zinc/93/99/42/402939942.db2.gz CYZCYPPDMUDHPA-UHFFFAOYSA-N 0 3 315.320 2.143 20 5 DEBDHN COC(=O)C1=C(C)O[C@H](CN[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000272579705 402955957 /nfs/dbraw/zinc/95/59/57/402955957.db2.gz ROCVTQNYEFALGB-YGRLFVJLSA-N 0 3 320.345 2.481 20 5 DEBDHN Cc1cccc(C(=O)N[C@@H](C)C2=CCN(C)CC2)c1[N+](=O)[O-] ZINC000273057669 402966777 /nfs/dbraw/zinc/96/67/77/402966777.db2.gz YCVXAQBFNPCEIQ-LBPRGKRZSA-N 0 3 303.362 2.283 20 5 DEBDHN CCN1CCN([C@H]2CCN(c3ccc([N+](=O)[O-])cc3C)C2)CC1 ZINC000266965367 403004055 /nfs/dbraw/zinc/00/40/55/403004055.db2.gz JIMUVHDCZDWYIJ-INIZCTEOSA-N 0 3 318.421 2.119 20 5 DEBDHN CN(C)[C@]1(CNC(=O)Nc2cccc([N+](=O)[O-])c2)CCSC1 ZINC000267238152 403028295 /nfs/dbraw/zinc/02/82/95/403028295.db2.gz XRPCVIDREDMWLV-AWEZNQCLSA-N 0 3 324.406 2.154 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(N[C@H](C)CCN2CCN(C)CC2)c1 ZINC000274527582 403064358 /nfs/dbraw/zinc/06/43/58/403064358.db2.gz YCFYVXHQTVFDQM-CQSZACIVSA-N 0 3 306.410 2.341 20 5 DEBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000268260314 403067787 /nfs/dbraw/zinc/06/77/87/403067787.db2.gz ZARRTAKWXMPOPM-RNCFNFMXSA-N 0 3 323.780 2.461 20 5 DEBDHN CO[C@@]1(C)C[C@H](NCC(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC000269506959 403144619 /nfs/dbraw/zinc/14/46/19/403144619.db2.gz ZHTMGZFRFBWRKK-BBRMVZONSA-N 0 3 321.377 2.327 20 5 DEBDHN CS[C@H]1CN(Cc2cccc([N+](=O)[O-])c2C)C[C@H]1N(C)C ZINC000270625200 403206690 /nfs/dbraw/zinc/20/66/90/403206690.db2.gz FGPOXFSLVIYCTH-CABCVRRESA-N 0 3 309.435 2.381 20 5 DEBDHN CS[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1N(C)C ZINC000270497704 403195984 /nfs/dbraw/zinc/19/59/84/403195984.db2.gz WEGZSDYCOGQFEL-OLZOCXBDSA-N 0 3 324.406 2.104 20 5 DEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@H](N2CCOCC2)C[C@H]1C ZINC000285775558 403377244 /nfs/dbraw/zinc/37/72/44/403377244.db2.gz DQAUDIXWHLGLHO-RBSFLKMASA-N 0 3 319.405 2.451 20 5 DEBDHN CCOc1ccc(C(=O)NC2CCN(CC)CC2)cc1[N+](=O)[O-] ZINC000345721182 403453994 /nfs/dbraw/zinc/45/39/94/403453994.db2.gz RQAYOXKVISTMIV-UHFFFAOYSA-N 0 3 321.377 2.208 20 5 DEBDHN COCCN(C)CCCNc1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000286214248 403473988 /nfs/dbraw/zinc/47/39/88/403473988.db2.gz SLQFLZVFTAGAJE-UHFFFAOYSA-N 0 3 309.366 2.178 20 5 DEBDHN C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[n-]1)c1cccs1 ZINC000298868494 403476901 /nfs/dbraw/zinc/47/69/01/403476901.db2.gz JXSPNGGKBKMXBY-JTQLQIEISA-N 0 3 308.363 2.017 20 5 DEBDHN CNC(=O)[C@@H]1CCC[C@H]1NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000345826457 403500011 /nfs/dbraw/zinc/50/00/11/403500011.db2.gz FXNHTRPOELQTNQ-VTGPQGOBSA-N 0 3 303.362 2.112 20 5 DEBDHN CNC(=O)CC[C@H]1CCCCN1Cc1ccccc1[N+](=O)[O-] ZINC000286342738 403504063 /nfs/dbraw/zinc/50/40/63/403504063.db2.gz GPOBUCDKAXYMFV-CQSZACIVSA-N 0 3 305.378 2.476 20 5 DEBDHN Cc1ccc(CN[C@@H]2CCO[C@H]2c2nccn2C)cc1[N+](=O)[O-] ZINC000343406366 403574214 /nfs/dbraw/zinc/57/42/14/403574214.db2.gz VBVPBNKOUZXBNS-UKRRQHHQSA-N 0 3 316.361 2.257 20 5 DEBDHN CCc1ccc(C(=O)N[C@H]2CCCN(C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000343420290 403581254 /nfs/dbraw/zinc/58/12/54/403581254.db2.gz AHKNOCMZAQQETK-RISCZKNCSA-N 0 3 305.378 2.370 20 5 DEBDHN CCNc1ccc(C(=O)N[C@@H]2CCCN(C)[C@H]2C)cc1[N+](=O)[O-] ZINC000343424037 403583435 /nfs/dbraw/zinc/58/34/35/403583435.db2.gz CDUNEPFLBDMXIT-WCQYABFASA-N 0 3 320.393 2.239 20 5 DEBDHN CCN1CCC(N(C)c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000301278328 403609983 /nfs/dbraw/zinc/60/99/83/403609983.db2.gz PHVIYYJSDAVIIJ-UHFFFAOYSA-N 0 3 309.395 2.225 20 5 DEBDHN CN1CC[C@]2(CCN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])C2)C1 ZINC000293974178 403614081 /nfs/dbraw/zinc/61/40/81/403614081.db2.gz UYMMBAXVHPSTKL-HNNXBMFYSA-N 0 3 323.780 2.416 20 5 DEBDHN CCCN1CCC[C@@H]1CNC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000343566840 403641636 /nfs/dbraw/zinc/64/16/36/403641636.db2.gz KYHYGONRQJQWHH-GFCCVEGCSA-N 0 3 321.377 2.208 20 5 DEBDHN Cc1cc(C(=O)N2CC[C@@]3(C2)CCCN(C)C3)ccc1[N+](=O)[O-] ZINC000294361330 403714018 /nfs/dbraw/zinc/71/40/18/403714018.db2.gz ZBHHFUWQDMQDDP-KRWDZBQOSA-N 0 3 317.389 2.461 20 5 DEBDHN COc1cc(CN(C)CCN2CCCC2)c([N+](=O)[O-])cc1F ZINC000341277784 403882159 /nfs/dbraw/zinc/88/21/59/403882159.db2.gz JIZQDMXTRANSHE-UHFFFAOYSA-N 0 3 311.357 2.270 20 5 DEBDHN CCNc1ccc(C(=O)N(C)C[C@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000336864695 403938265 /nfs/dbraw/zinc/93/82/65/403938265.db2.gz ADWNMXUEZXNHQD-CYBMUJFWSA-N 0 3 320.393 2.193 20 5 DEBDHN C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CCN(C2CC2)C1 ZINC000295472394 403945034 /nfs/dbraw/zinc/94/50/34/403945034.db2.gz DELJVIQZXZSKQJ-ZDUSSCGKSA-N 0 3 317.389 2.080 20 5 DEBDHN COC(=O)[C@@]1(C)CN(CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000337418877 404010180 /nfs/dbraw/zinc/01/01/80/404010180.db2.gz AKCZDECAXGGYLA-LRDDRELGSA-N 0 3 322.361 2.105 20 5 DEBDHN O=[N+]([O-])c1ccc(CNCCN2CCCOCC2)c(Cl)c1 ZINC000289456620 403973604 /nfs/dbraw/zinc/97/36/04/403973604.db2.gz NVCNKLCCHPGKGS-UHFFFAOYSA-N 0 3 313.785 2.060 20 5 DEBDHN O=C1CC[C@H](CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCN1 ZINC000296377987 404220524 /nfs/dbraw/zinc/22/05/24/404220524.db2.gz TXPWFRSTPKQRQE-AWEZNQCLSA-N 0 3 317.389 2.476 20 5 DEBDHN O=C(N1CCc2ccc([N+](=O)[O-])cc2C1)C12CCCN1CCC2 ZINC000355056021 404185811 /nfs/dbraw/zinc/18/58/11/404185811.db2.gz IMVREDUZDFGXOL-UHFFFAOYSA-N 0 3 315.373 2.108 20 5 DEBDHN C[C@@H](NC(=O)N1CCN(C)CC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000341912017 404249862 /nfs/dbraw/zinc/24/98/62/404249862.db2.gz AGSPSAIRHIZIBI-QWHCGFSZSA-N 0 3 320.393 2.391 20 5 DEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCCCS(C)(=O)=O ZINC000344792342 404370329 /nfs/dbraw/zinc/37/03/29/404370329.db2.gz MBZUBNKBDOTYRV-FMIVXFBMSA-N 0 3 312.391 2.022 20 5 DEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@H]1CCCS(=O)(=O)C1 ZINC000344797543 404373584 /nfs/dbraw/zinc/37/35/84/404373584.db2.gz WUUIJIAKWPRMPM-UNJUUPHPSA-N 0 3 324.402 2.165 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CSC[C@H]1C ZINC000352813820 404642399 /nfs/dbraw/zinc/64/23/99/404642399.db2.gz CTJZZMYXISYWJL-MFKMUULPSA-N 0 3 309.391 2.183 20 5 DEBDHN C[C@@H]1[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCCN1C ZINC000345287950 404659267 /nfs/dbraw/zinc/65/92/67/404659267.db2.gz IVNBCGYCOFXZLE-QMTHXVAHSA-N 0 3 316.361 2.289 20 5 DEBDHN CN1CCC2(CCN(Cc3cccc([N+](=O)[O-])c3)CC2)C1=O ZINC000365336980 404621997 /nfs/dbraw/zinc/62/19/97/404621997.db2.gz NCCFZHJRAVFJCT-UHFFFAOYSA-N 0 3 303.362 2.039 20 5 DEBDHN CCCN(C)CC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000351614620 404671025 /nfs/dbraw/zinc/67/10/25/404671025.db2.gz HFDOOEZNGZOWRA-UHFFFAOYSA-N 0 3 313.785 2.249 20 5 DEBDHN C[C@@H]1CC[C@H](C)N1CC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000359127577 404785152 /nfs/dbraw/zinc/78/51/52/404785152.db2.gz FAZHMMIBMBFPEZ-OKILXGFUSA-N 0 3 319.405 2.469 20 5 DEBDHN Cc1cc(NC(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)ccc1[N+](=O)[O-] ZINC000415419507 404860502 /nfs/dbraw/zinc/86/05/02/404860502.db2.gz QLELPERNRUBULQ-PWSUYJOCSA-N 0 3 322.365 2.138 20 5 DEBDHN CCn1c(C)nc([N+](=O)[O-])c1N(C)[C@@H]1CCN(CC)[C@H](C)C1 ZINC000360996684 404872786 /nfs/dbraw/zinc/87/27/86/404872786.db2.gz STHQPJJCONWWRA-DGCLKSJQSA-N 0 3 309.414 2.429 20 5 DEBDHN Cc1c([C@H](C)NCCN2CCOC[C@H]2C)cccc1[N+](=O)[O-] ZINC000361125768 404932276 /nfs/dbraw/zinc/93/22/76/404932276.db2.gz KLEPUCXPRDKITK-OCCSQVGLSA-N 0 3 307.394 2.275 20 5 DEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC3CCC2CC3)c1 ZINC000378379375 404947192 /nfs/dbraw/zinc/94/71/92/404947192.db2.gz ABVHODARMHQSRU-SSDMNJCBSA-N 0 3 306.362 2.209 20 5 DEBDHN CC(C)CC[C@@H](O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000361303474 405014860 /nfs/dbraw/zinc/01/48/60/405014860.db2.gz DAUZOAZADLBUBT-UKRRQHHQSA-N 0 3 322.409 2.273 20 5 DEBDHN CN(CCN(C)C1CC1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000354075209 405032630 /nfs/dbraw/zinc/03/26/30/405032630.db2.gz LAUCHUIPNMYVQO-UHFFFAOYSA-N 0 3 316.361 2.242 20 5 DEBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NCC2(N(C)C)CC2)c1 ZINC000416291678 405088428 /nfs/dbraw/zinc/08/84/28/405088428.db2.gz PLCOHARQCZJVJM-UHFFFAOYSA-N 0 3 309.391 2.141 20 5 DEBDHN CC(C)c1ccc(C(=O)NCCOCCN(C)C)cc1[N+](=O)[O-] ZINC000439751382 405290779 /nfs/dbraw/zinc/29/07/79/405290779.db2.gz LXYAVSPSEDVYQQ-UHFFFAOYSA-N 0 3 323.393 2.026 20 5 DEBDHN CO[C@@H](CN1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1CC1 ZINC000425412131 405286711 /nfs/dbraw/zinc/28/67/11/405286711.db2.gz ZJIOTQFJRRQTLG-INIZCTEOSA-N 0 3 305.378 2.142 20 5 DEBDHN Cc1ccc(C(=O)N2CCC[C@H]3CN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000425053005 405237342 /nfs/dbraw/zinc/23/73/42/405237342.db2.gz XIIMQRQEYYDRKV-DZGCQCFKSA-N 0 3 303.362 2.069 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCCN1C ZINC000439895911 405296099 /nfs/dbraw/zinc/29/60/99/405296099.db2.gz FXWOJOPPYPBWTC-GFCCVEGCSA-N 0 3 322.365 2.209 20 5 DEBDHN CNC(=O)[C@@H]1CCC[C@@H]1N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447581445 405417899 /nfs/dbraw/zinc/41/78/99/405417899.db2.gz UNGFJYVTDJCMPX-VNQPRFMTSA-N 0 3 317.389 2.477 20 5 DEBDHN CN(C[C@@H]1CCCN1C)c1ncnc2cccc([N+](=O)[O-])c21 ZINC000420629056 405364213 /nfs/dbraw/zinc/36/42/13/405364213.db2.gz BVDLBFLLCLLFFY-NSHDSACASA-N 0 3 301.350 2.068 20 5 DEBDHN C[C@H](NC(=O)NC[C@@H]1CCCN(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000580526121 405634755 /nfs/dbraw/zinc/63/47/55/405634755.db2.gz CLPLWPBGBZYXBV-STQMWFEESA-N 0 3 320.393 2.297 20 5 DEBDHN COC[C@@]1(CO)CCN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000449698910 405698288 /nfs/dbraw/zinc/69/82/88/405698288.db2.gz OUYXBWAZCHSOIV-AAKUMTKESA-N 0 3 320.389 2.329 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000457118406 405708683 /nfs/dbraw/zinc/70/86/83/405708683.db2.gz MTXPULGFLMXWKL-CQSZACIVSA-N 0 3 305.378 2.458 20 5 DEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@@H]1CCCC(=O)N1 ZINC000433172987 405887706 /nfs/dbraw/zinc/88/77/06/405887706.db2.gz HBZDLTRXTYLMFX-BCNIOPEESA-N 0 3 303.362 2.256 20 5 DEBDHN CCC[C@H](N)c1cn(Cc2c(F)cc([N+](=O)[O-])cc2F)nn1 ZINC000603247549 405903539 /nfs/dbraw/zinc/90/35/39/405903539.db2.gz MHFCGCTWHOMQDB-LBPRGKRZSA-N 0 3 311.292 2.313 20 5 DEBDHN C[C@@H]1COCCN1C1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000562478570 406016310 /nfs/dbraw/zinc/01/63/10/406016310.db2.gz LXZZDLDOHWARKD-CQSZACIVSA-N 0 3 319.405 2.280 20 5 DEBDHN CC[C@@H]1OCC[C@H]1N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000459765373 406036391 /nfs/dbraw/zinc/03/63/91/406036391.db2.gz CPSJRMUDTNPNNL-QKCSRTOESA-N 0 3 307.350 2.079 20 5 DEBDHN Cn1ccnc1[C@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000533865677 406164783 /nfs/dbraw/zinc/16/47/83/406164783.db2.gz WESCDPUSNUFMJZ-ZDUSSCGKSA-N 0 3 316.361 2.197 20 5 DEBDHN Cc1c(CNC(=O)CC2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000487323640 406223493 /nfs/dbraw/zinc/22/34/93/406223493.db2.gz ONJQQPQVOFDHSM-UHFFFAOYSA-N 0 3 305.378 2.251 20 5 DEBDHN CCc1nn(C)c(N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000488755663 406345506 /nfs/dbraw/zinc/34/55/06/406345506.db2.gz TUHQNGJHQPARSB-YRGRVCCFSA-N 0 3 321.425 2.057 20 5 DEBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000488762053 406346832 /nfs/dbraw/zinc/34/68/32/406346832.db2.gz ONPULYPXVSWBQH-YRGRVCCFSA-N 0 3 321.425 2.286 20 5 DEBDHN Cc1nc2n(n1)C[C@H](N[C@H]1CCc3c1cccc3[N+](=O)[O-])CC2 ZINC000569744955 406297952 /nfs/dbraw/zinc/29/79/52/406297952.db2.gz XEPYCJCNRNWOFV-RISCZKNCSA-N 0 3 313.361 2.087 20 5 DEBDHN CCCCN1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000523355368 406422118 /nfs/dbraw/zinc/42/21/18/406422118.db2.gz IZVCPEGCKWHROI-ZDUSSCGKSA-N 0 3 322.409 2.318 20 5 DEBDHN O=C1CCCN1[C@@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000523702121 406433974 /nfs/dbraw/zinc/43/39/74/406433974.db2.gz NEMAMSREQHRMEX-MRXNPFEDSA-N 0 3 317.389 2.224 20 5 DEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H]2C[C@H]2c2ccco2)c1 ZINC000571551580 406536111 /nfs/dbraw/zinc/53/61/11/406536111.db2.gz FDBPPDSDZSVZKT-BPLDGKMQSA-N 0 3 318.329 2.073 20 5 DEBDHN CS[C@@H]1CN(c2cc(N)ccc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000282132086 286708600 /nfs/dbraw/zinc/70/86/00/286708600.db2.gz CQECIMLAGRQBNK-HUUCEWRRSA-N 0 3 322.434 2.193 20 5 DEBDHN Cc1ccccc1CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000550086686 406597667 /nfs/dbraw/zinc/59/76/67/406597667.db2.gz WYQNHHGXUACDOV-MRXNPFEDSA-N 0 3 316.357 2.433 20 5 DEBDHN CN(C)[C@H]1CCCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000491575696 406627064 /nfs/dbraw/zinc/62/70/64/406627064.db2.gz JWKUXEGHOIDDMM-XMELGKRDSA-N 0 3 303.362 2.161 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1CNC[C@H](O)Cc1ccccc1 ZINC000572869544 406755086 /nfs/dbraw/zinc/75/50/86/406755086.db2.gz ARCSTNHJKBZEKV-MRXNPFEDSA-N 0 3 316.357 2.297 20 5 DEBDHN CCN1CCC[C@H]1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134517665 196398151 /nfs/dbraw/zinc/39/81/51/196398151.db2.gz DQUFWGWMYMXPDL-LBPRGKRZSA-N 0 3 311.769 2.462 20 5 DEBDHN Cc1ccc([C@H](C)NC(=O)N2C[C@@H](C)NC[C@@H]2C)cc1[N+](=O)[O-] ZINC000417821143 229114286 /nfs/dbraw/zinc/11/42/86/229114286.db2.gz DLXZBYGTWKCKOP-AGIUHOORSA-N 0 3 320.393 2.356 20 5 DEBDHN C[C@@H]1[C@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)CCCN1C ZINC000343434386 424977842 /nfs/dbraw/zinc/97/78/42/424977842.db2.gz ALNFFMVSTYVQPQ-BXUZGUMPSA-N 0 3 300.362 3.038 20 5 DEBDHN CCCN(CCN(C)C)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087304137 267393659 /nfs/dbraw/zinc/39/36/59/267393659.db2.gz XNSBHBGDPUMDOX-UHFFFAOYSA-N 0 3 307.394 2.328 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCN(C)C1 ZINC000517354250 269383760 /nfs/dbraw/zinc/38/37/60/269383760.db2.gz RQONAPGXIXZWDL-CYBMUJFWSA-N 0 3 305.378 2.283 20 5 DEBDHN CC[C@@H](C)N1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000450857824 273716436 /nfs/dbraw/zinc/71/64/36/273716436.db2.gz KNOTZCRESYMFFX-GFCCVEGCSA-N 0 3 304.394 2.483 20 5 DEBDHN C[C@@H]1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@H]1C ZINC000248366759 274304031 /nfs/dbraw/zinc/30/40/31/274304031.db2.gz SNHVWQOJEKHDJZ-TYNCELHUSA-N 0 3 303.362 2.430 20 5 DEBDHN C[C@@H]1CN(C2CC2)C[C@@H]1Nc1nc2sccn2c1[N+](=O)[O-] ZINC000268165482 274343616 /nfs/dbraw/zinc/34/36/16/274343616.db2.gz PODZDIFKZPONQD-SCZZXKLOSA-N 0 3 307.379 2.199 20 5 DEBDHN Cc1c(NC(=O)[C@H](C)N[C@]2(C)CCO[C@H]2C)cccc1[N+](=O)[O-] ZINC000494208597 274664726 /nfs/dbraw/zinc/66/47/26/274664726.db2.gz MEBOMXRTKMQEGZ-MQIPJXDCSA-N 0 3 321.377 2.387 20 5 DEBDHN CNC(=O)OC[C@@H]1CCCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000287130841 277005924 /nfs/dbraw/zinc/00/59/24/277005924.db2.gz ZXJDXMQITQSCDC-HNNXBMFYSA-N 0 3 321.377 2.348 20 5 DEBDHN CN1CC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC000272634265 277144044 /nfs/dbraw/zinc/14/40/44/277144044.db2.gz NMEZAQXYVGJZCH-YGRLFVJLSA-N 0 3 323.780 2.414 20 5 DEBDHN C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000287420295 280101724 /nfs/dbraw/zinc/10/17/24/280101724.db2.gz ZYBVKMVGEYFYKX-WFASDCNBSA-N 0 3 303.362 2.294 20 5 DEBDHN COc1cc(CNC[C@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1OC ZINC000077465165 281574643 /nfs/dbraw/zinc/57/46/43/281574643.db2.gz MZGBHODRJYHJIW-RISCZKNCSA-N 0 3 324.377 2.253 20 5 DEBDHN O=[N+]([O-])c1cc2ccccc2nc1NC[C@@H]1CSCCN1 ZINC000603419768 483933928 /nfs/dbraw/zinc/93/39/28/483933928.db2.gz QBIXHIKCMGPGCY-LLVKDONJSA-N 0 3 304.375 2.260 20 5 DEBDHN C[C@H](NC(=O)C1(N)CC2(CCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001358142441 1152366822 /nfs/dbraw/zinc/36/68/22/1152366822.db2.gz MAGXRUMEYMFDAT-NSHDSACASA-N 0 3 303.362 2.434 20 5 DEBDHN CC(C)COCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000337299445 519754679 /nfs/dbraw/zinc/75/46/79/519754679.db2.gz MJGKFNRKFMSSPI-CYBMUJFWSA-N 0 3 308.382 2.149 20 5 DEBDHN Cc1ccccc1OCCN(C)CCn1cc([N+](=O)[O-])cn1 ZINC000157478093 525295605 /nfs/dbraw/zinc/29/56/05/525295605.db2.gz KDJPTJCGZYWBOR-UHFFFAOYSA-N 0 3 304.350 2.111 20 5 DEBDHN Cc1c(CC(=O)NCCN2CCCCC2)cccc1[N+](=O)[O-] ZINC000161700520 525690963 /nfs/dbraw/zinc/69/09/63/525690963.db2.gz UNZIRXZDNATZHD-UHFFFAOYSA-N 0 3 305.378 2.048 20 5 DEBDHN CCN(C)C(=O)[C@@H](N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(C)C ZINC000295861553 527765034 /nfs/dbraw/zinc/76/50/34/527765034.db2.gz BODQBEZXHVBHEG-NHYWBVRUSA-N 0 3 322.409 2.331 20 5 DEBDHN CCOC[C@@H](NCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(C)C ZINC000348471366 535669305 /nfs/dbraw/zinc/66/93/05/535669305.db2.gz UJYIWRIOGVHBAR-OAHLLOKOSA-N 0 3 323.393 2.492 20 5 DEBDHN CN1CC[C@@H]2CCN(C(=O)/C=C\c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000492402402 536460558 /nfs/dbraw/zinc/46/05/58/536460558.db2.gz XBCIURQZBHNSJF-SAABFPIUSA-N 0 3 315.373 2.161 20 5 DEBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000246435689 536471549 /nfs/dbraw/zinc/47/15/49/536471549.db2.gz BDLSFXGKBULMFL-LSDHHAIUSA-N 0 3 317.389 2.080 20 5 DEBDHN CC[C@@H](CO)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000162127747 625345715 /nfs/dbraw/zinc/34/57/15/625345715.db2.gz HNTFSLUKXOBRSB-JTQLQIEISA-N 0 3 303.156 2.218 20 5 DEBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H](C)C(C)(C)OC)c1 ZINC000932372888 622806181 /nfs/dbraw/zinc/80/61/81/622806181.db2.gz URIGCSSEXCZDNJ-JTQLQIEISA-N 0 3 310.350 2.285 20 5 DEBDHN O=C(OCc1ccccc1[N+](=O)[O-])C1CCCN(C2CC2)C1=O ZINC000924054382 624611932 /nfs/dbraw/zinc/61/19/32/624611932.db2.gz UCABHMIMCMSZSQ-CYBMUJFWSA-N 0 3 318.329 2.039 20 5 DEBDHN COCCC(C)(C)C[NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC000893582768 634841140 /nfs/dbraw/zinc/84/11/40/634841140.db2.gz VCTGXIQRBWXHKS-UHFFFAOYSA-N 0 3 312.366 2.461 20 5 DEBDHN C[C@@H]1[C@H](Nc2c([N+](=O)[O-])cnn2C)CCN1Cc1ccccc1 ZINC000893882305 636055038 /nfs/dbraw/zinc/05/50/38/636055038.db2.gz HHYABGAIMIPOSW-TZMCWYRMSA-N 0 3 315.377 2.403 20 5 DEBDHN COc1c([O-])ccc(C[NH2+]CCc2cccc(C)n2)c1[N+](=O)[O-] ZINC000894136806 636269232 /nfs/dbraw/zinc/26/92/32/636269232.db2.gz SRMNAIYTSBDULM-UHFFFAOYSA-N 0 3 317.345 2.345 20 5 DEBDHN COc1c(O)ccc(CNCCc2cccc(C)n2)c1[N+](=O)[O-] ZINC000894136806 636269237 /nfs/dbraw/zinc/26/92/37/636269237.db2.gz SRMNAIYTSBDULM-UHFFFAOYSA-N 0 3 317.345 2.345 20 5 DEBDHN O=[N+]([O-])c1cc(Cl)ccc1CNCC[C@]1(O)CCCOC1 ZINC000895186251 637767385 /nfs/dbraw/zinc/76/73/85/637767385.db2.gz VPOWPQMGAHPXFL-CQSZACIVSA-N 0 3 314.769 2.269 20 5 DEBDHN C[C@@H]1CCCN1CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000742242061 638054014 /nfs/dbraw/zinc/05/40/14/638054014.db2.gz RRBFDXRQIVPWFU-SNVBAGLBSA-N 0 3 311.769 2.462 20 5 DEBDHN Cc1cnc(NC2CCN(C[C@@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000742428575 638071267 /nfs/dbraw/zinc/07/12/67/638071267.db2.gz ALSVSNJROBMHOV-AWEZNQCLSA-N 0 3 320.393 2.354 20 5 DEBDHN CCN1CCC[C@H]1CNC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000895538652 638077315 /nfs/dbraw/zinc/07/73/15/638077315.db2.gz GSZGPJUDYQOULY-ZDUSSCGKSA-N 0 3 305.378 2.426 20 5 DEBDHN COc1c(O)ccc(CNCCc2ccns2)c1[N+](=O)[O-] ZINC000895995533 638303186 /nfs/dbraw/zinc/30/31/86/638303186.db2.gz SMEYKPQMANBXKR-UHFFFAOYSA-N 0 3 309.347 2.098 20 5 DEBDHN COC(=O)N1CCC[C@H](N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000746049505 638306534 /nfs/dbraw/zinc/30/65/34/638306534.db2.gz REGBUZDEKFZVHM-YPMHNXCESA-N 0 3 307.350 2.476 20 5 DEBDHN COc1c(O)ccc(CN2CC[C@@H]([C@@H]3CCCO3)C2)c1[N+](=O)[O-] ZINC000896061207 638333156 /nfs/dbraw/zinc/33/31/56/638333156.db2.gz YTEMUIRYPPGEBZ-RISCZKNCSA-N 0 3 322.361 2.310 20 5 DEBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000749985898 638700808 /nfs/dbraw/zinc/70/08/08/638700808.db2.gz QGFNDEVGEFCULJ-LLVKDONJSA-N 0 3 323.780 2.462 20 5 DEBDHN Cc1cc(N2CC[C@H]3[C@@H]2CCCN3CCO)c(F)cc1[N+](=O)[O-] ZINC000897219574 639250871 /nfs/dbraw/zinc/25/08/71/639250871.db2.gz LLTFWXSOFQNLOO-KBPBESRZSA-N 0 3 323.368 2.078 20 5 DEBDHN CC(C)(C)C(=O)CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000753748464 639337953 /nfs/dbraw/zinc/33/79/53/639337953.db2.gz ONNMAUURRGUQGQ-LBPRGKRZSA-N 0 3 320.393 2.481 20 5 DEBDHN C[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)Cc2ccccc21 ZINC000761639676 640332085 /nfs/dbraw/zinc/33/20/85/640332085.db2.gz CNFRDXFBRJJVHC-CYBMUJFWSA-N 0 3 313.357 2.376 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000929118908 640771372 /nfs/dbraw/zinc/77/13/72/640771372.db2.gz WGVPJZUBLOGDLP-RISCZKNCSA-N 0 3 304.350 2.071 20 5 DEBDHN CNc1c(C(=O)OCCN2CCCCC2)cccc1[N+](=O)[O-] ZINC000770420227 641367535 /nfs/dbraw/zinc/36/75/35/641367535.db2.gz XWNYMSRQYRCPKR-UHFFFAOYSA-N 0 3 307.350 2.279 20 5 DEBDHN C[C@@H](CC[S@](C)=O)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000128160162 641601636 /nfs/dbraw/zinc/60/16/36/641601636.db2.gz AOEYGICBGKNOHD-ZRNGKTOUSA-N 0 3 304.799 2.495 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H](O)c1ccnn1C ZINC000927133244 641680544 /nfs/dbraw/zinc/68/05/44/641680544.db2.gz PUGGWZYZJOHYSZ-IAQYHMDHSA-N 0 3 304.350 2.021 20 5 DEBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000776275968 642152099 /nfs/dbraw/zinc/15/20/99/642152099.db2.gz JEFVFFXXUIIKEZ-CJNGLKHVSA-N 0 3 316.361 2.231 20 5 DEBDHN Cc1ccsc1[C@H](CO)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000778160367 642345683 /nfs/dbraw/zinc/34/56/83/642345683.db2.gz UMTNSCRVSVORLR-KBPBESRZSA-N 0 3 322.386 2.321 20 5 DEBDHN O=[N+]([O-])c1ccc([C@H](O)CN[C@@H](CO)c2cccc(F)c2)cc1 ZINC000782060367 642818923 /nfs/dbraw/zinc/81/89/23/642818923.db2.gz CVKVQACXRFTCLY-JKSUJKDBSA-N 0 3 320.320 2.091 20 5 DEBDHN COc1cnccc1[C@@H](C)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000782650277 642911679 /nfs/dbraw/zinc/91/16/79/642911679.db2.gz XTGWBCKETVCMNV-ABAIWWIYSA-N 0 3 317.345 2.383 20 5 DEBDHN CCCNC(=O)CCN[C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903072657 643247123 /nfs/dbraw/zinc/24/71/23/643247123.db2.gz FLFWZNKZXKULEL-NSHDSACASA-N 0 3 309.366 2.170 20 5 DEBDHN COc1cc([C@H](C)NCCOC[C@H]2CCOC2)cc([N+](=O)[O-])c1 ZINC000903092475 643252762 /nfs/dbraw/zinc/25/27/62/643252762.db2.gz KBJIBCXAWLBWAK-STQMWFEESA-N 0 3 324.377 2.307 20 5 DEBDHN COc1cc([C@H](C)N[C@@H](C)CC[S@](C)=O)cc([N+](=O)[O-])c1 ZINC000903125010 643261223 /nfs/dbraw/zinc/26/12/23/643261223.db2.gz JTLMEBMVLIMHHD-HJTOQOCKSA-N 0 3 314.407 2.411 20 5 DEBDHN COc1cc([C@H](C)N[C@@H](C)C[S@@](C)=O)cc([N+](=O)[O-])c1 ZINC000903147669 643272762 /nfs/dbraw/zinc/27/27/62/643272762.db2.gz MEPYKLHWBGJJSL-QDDONVENSA-N 0 3 300.380 2.021 20 5 DEBDHN C[C@@H](Cc1cc(Br)ccc1F)NCC[N+](=O)[O-] ZINC000905186996 643817056 /nfs/dbraw/zinc/81/70/56/643817056.db2.gz KIPMZPOWHUFISJ-QMMMGPOBSA-N 0 3 305.147 2.386 20 5 DEBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000791145907 643933848 /nfs/dbraw/zinc/93/38/48/643933848.db2.gz AKTBIGFBRZXOTP-AWEZNQCLSA-N 0 3 320.393 2.027 20 5 DEBDHN CC(COC(=O)Cc1ccc(Br)cc1)[N+](=O)[O-] ZINC000813103901 646729500 /nfs/dbraw/zinc/72/95/00/646729500.db2.gz HXAVABNJDXNQON-MRVPVSSYSA-N 0 3 302.124 2.200 20 5 DEBDHN COc1ccc(C(=O)C[C@H](C)C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813104856 646729825 /nfs/dbraw/zinc/72/98/25/646729825.db2.gz SKGLTIVOHOBHPL-QWRGUYRKSA-N 0 3 309.318 2.113 20 5 DEBDHN CC(COC(=O)c1cc(-c2cnn(C)c2)ccc1F)[N+](=O)[O-] ZINC000813106152 646729896 /nfs/dbraw/zinc/72/98/96/646729896.db2.gz ZOGDKWBAEOMYEH-SECBINFHSA-N 0 3 307.281 2.048 20 5 DEBDHN CC(C)Cn1ncc(C(=O)OCC(C)[N+](=O)[O-])c1C(F)F ZINC000813109413 646730476 /nfs/dbraw/zinc/73/04/76/646730476.db2.gz JWGTYENCSTXUCK-QMMMGPOBSA-N 0 3 305.281 2.299 20 5 DEBDHN CC(COC(=O)Cc1cccc(OC(F)(F)F)c1)[N+](=O)[O-] ZINC000813114158 646733399 /nfs/dbraw/zinc/73/33/99/646733399.db2.gz ZHYUDMVNIIAMLC-QMMMGPOBSA-N 0 3 307.224 2.336 20 5 DEBDHN CC(C)NC(=O)Nc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813115467 646734351 /nfs/dbraw/zinc/73/43/51/646734351.db2.gz SSWCGTTXMBBTTP-SNVBAGLBSA-N 0 3 309.322 2.039 20 5 DEBDHN Cn1nc(C2CC2)cc1CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000824080366 648522788 /nfs/dbraw/zinc/52/27/88/648522788.db2.gz DGBCIVKQCSWDDW-MRXNPFEDSA-N 0 3 316.361 2.029 20 5 DEBDHN CC[C@@H](C)N1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000832186197 649683111 /nfs/dbraw/zinc/68/31/11/649683111.db2.gz DNFOMXNEMVKXSB-CJNGLKHVSA-N 0 3 307.394 2.044 20 5 DEBDHN Cc1cc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])n(C)n1 ZINC000845874714 651291336 /nfs/dbraw/zinc/29/13/36/651291336.db2.gz JUOULCCUJUGCLZ-YGRLFVJLSA-N 0 3 321.308 2.431 20 5 DEBDHN CC([C@@H](OC(=O)Cc1cnn(C)c1)c1ccccc1F)[N+](=O)[O-] ZINC000845877517 651291524 /nfs/dbraw/zinc/29/15/24/651291524.db2.gz SHSUFYLNKYMMPD-MEBBXXQBSA-N 0 3 321.308 2.051 20 5 DEBDHN CC(C)(C)N1CC[C@@](F)(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000854494715 651489384 /nfs/dbraw/zinc/48/93/84/651489384.db2.gz FWIQRWGYASCBSP-HNNXBMFYSA-N 0 3 324.356 2.328 20 5 DEBDHN C[C@@H](C(=O)Nc1ccc(N)c([N+](=O)[O-])c1)N1[C@H](C)CC[C@@H]1C ZINC000854497491 651489877 /nfs/dbraw/zinc/48/98/77/651489877.db2.gz QXSSBWPNFWNVJT-AXFHLTTASA-N 0 3 306.366 2.377 20 5 DEBDHN Cn1ncc(C2CC2)c1CNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000849330338 651650679 /nfs/dbraw/zinc/65/06/79/651650679.db2.gz PCBXWHOIFFVVQA-INIZCTEOSA-N 0 3 316.361 2.029 20 5 DEBDHN CO[C@@H](CNCc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000850342453 651904055 /nfs/dbraw/zinc/90/40/55/651904055.db2.gz JTYIXKDJNXLEGJ-HZMBPMFUSA-N 0 3 314.769 2.389 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1CNCC[S@](=O)CC(F)(F)F ZINC000850348683 651906594 /nfs/dbraw/zinc/90/65/94/651906594.db2.gz RHPNXHUNHFYBHG-NRFANRHFSA-N 0 3 324.324 2.304 20 5 DEBDHN O=C1CCC2=C(CCN(CCc3ccc([N+](=O)[O-])cc3)C2)N1 ZINC000852299051 652380617 /nfs/dbraw/zinc/38/06/17/652380617.db2.gz NGIGKTXEEHIXGF-UHFFFAOYSA-N 0 3 301.346 2.007 20 5 DEBDHN C[C@@H]1[C@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CCN1C ZINC000928423197 693774876 /nfs/dbraw/zinc/77/48/76/693774876.db2.gz AETVFAUSQMEIIC-GMSGAONNSA-N 0 3 315.732 2.210 20 5 DEBDHN CSc1cccc(C(=O)N[C@@H]2CCN(C)[C@H]2C)c1[N+](=O)[O-] ZINC000928436086 693778356 /nfs/dbraw/zinc/77/83/56/693778356.db2.gz IMMXTCZJGGNPDS-GXSJLCMTSA-N 0 3 309.391 2.139 20 5 DEBDHN Cc1ccnc(Nc2cccc(C(=O)OCC(C)[N+](=O)[O-])c2)n1 ZINC000860776334 685959953 /nfs/dbraw/zinc/95/99/53/685959953.db2.gz DTCLMFXEGQXSJL-NSHDSACASA-N 0 3 316.317 2.351 20 5 DEBDHN CC[C@H]1CN(C)CCCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000865925591 687380762 /nfs/dbraw/zinc/38/07/62/687380762.db2.gz JSMNMJHOVRJBHG-NSHDSACASA-N 0 3 308.338 2.424 20 5 DEBDHN CCN(CC)C(=O)CN[C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866242649 687506183 /nfs/dbraw/zinc/50/61/83/687506183.db2.gz QIZAMLYDAXEMRI-LLVKDONJSA-N 0 3 311.357 2.123 20 5 DEBDHN CC(C)N1CC[C@H](N[C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1=O ZINC000866297925 687526920 /nfs/dbraw/zinc/52/69/20/687526920.db2.gz PGUIDSCYGWLEOE-FZMZJTMJSA-N 0 3 323.368 2.264 20 5 DEBDHN CCN(C)C(=O)[C@@H](C)N[C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866347616 687543515 /nfs/dbraw/zinc/54/35/15/687543515.db2.gz LXHIVZGHBZUEEU-WDEREUQCSA-N 0 3 311.357 2.121 20 5 DEBDHN C[C@H](NC[C@@H]1CN2CCC[C@@H]2CO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872035678 688916796 /nfs/dbraw/zinc/91/67/96/688916796.db2.gz XZLOCLVFPSPASG-YNEHKIRRSA-N 0 3 323.368 2.248 20 5 DEBDHN C[C@H](NC[C@H](O)C[C@](C)(O)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000872209599 688953267 /nfs/dbraw/zinc/95/32/67/688953267.db2.gz WNUKDELNKWNCSW-XZJROXQQSA-N 0 3 308.378 2.157 20 5 DEBDHN Cc1c(CN[C@H](CO)C[C@@H](O)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000873123846 689163446 /nfs/dbraw/zinc/16/34/46/689163446.db2.gz MRXLWJCYYASZKQ-DZGCQCFKSA-N 0 3 310.394 2.151 20 5 DEBDHN COc1cc(CNC[C@@H]2C[C@@H]3CCC[C@H]3O2)c([N+](=O)[O-])cc1O ZINC000873156891 689172921 /nfs/dbraw/zinc/17/29/21/689172921.db2.gz OJFFPFQXSKWMOU-ITDIGPHOSA-N 0 3 322.361 2.356 20 5 DEBDHN CCc1ccc(C(=O)N2CC[C@@H]3[C@H]2CCCN3C)cc1[N+](=O)[O-] ZINC000874838058 689511087 /nfs/dbraw/zinc/51/10/87/689511087.db2.gz MHPKYMOHCHXOOY-HUUCEWRRSA-N 0 3 317.389 2.466 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000877629515 690173213 /nfs/dbraw/zinc/17/32/13/690173213.db2.gz VCMJNLVFNWDWLR-UKRRQHHQSA-N 0 3 317.389 2.312 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000931262348 694351407 /nfs/dbraw/zinc/35/14/07/694351407.db2.gz UFHIAYHTIPELQZ-CMPLNLGQSA-N 0 3 322.365 2.208 20 5 DEBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNC[C@H]1C[C@H](O)C1 ZINC000877811784 690238460 /nfs/dbraw/zinc/23/84/60/690238460.db2.gz WXSMXKLHHTYLLN-JLIMDTESSA-N 0 3 304.268 2.474 20 5 DEBDHN C[C@H](NC[C@@H](O)CC1(O)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000878356770 690387277 /nfs/dbraw/zinc/38/72/77/690387277.db2.gz XVYBILGVZSUYGB-WFASDCNBSA-N 0 3 308.378 2.302 20 5 DEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000931495324 694412640 /nfs/dbraw/zinc/41/26/40/694412640.db2.gz ISCWIBBXKSNNGD-ZWNOBZJWSA-N 0 3 306.366 2.371 20 5 DEBDHN O=[N+]([O-])c1ccccc1N1CCN(C[C@@H]2C[C@]23CCOC3)CC1 ZINC000885948886 691969463 /nfs/dbraw/zinc/96/94/63/691969463.db2.gz IPGUJXRYPPTIHG-YOEHRIQHSA-N 0 3 317.389 2.143 20 5 DEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@H]1CS(=O)(=O)C[C@H]1C ZINC000886293582 692046712 /nfs/dbraw/zinc/04/67/12/692046712.db2.gz DHIIXHCUBOFTCF-CDQZISKASA-N 0 3 324.402 2.021 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NCCN2CCC(C)(C)C2)c1 ZINC000890076112 692854139 /nfs/dbraw/zinc/85/41/39/692854139.db2.gz JTASZHUYZKNZLT-UHFFFAOYSA-N 0 3 305.378 2.365 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCC(C)(C)C1 ZINC000890082391 692859295 /nfs/dbraw/zinc/85/92/95/692859295.db2.gz VMTUNBPAZATNHV-UHFFFAOYSA-N 0 3 321.377 2.065 20 5 DEBDHN Cc1ccc([C@H](C)NC[C@@H](O)c2ccnn2C)cc1[N+](=O)[O-] ZINC000927131558 693558405 /nfs/dbraw/zinc/55/84/05/693558405.db2.gz JOLKWVONXIARMS-XHDPSFHLSA-N 0 3 304.350 2.021 20 5 DEBDHN C[C@H](N[C@H]1C[C@@H](O)C12CCOCC2)c1ccccc1[N+](=O)[O-] ZINC000927166905 693564118 /nfs/dbraw/zinc/56/41/18/693564118.db2.gz ZFYKEUVNXMJTLO-TUKIKUTGSA-N 0 3 306.362 2.175 20 5 DEBDHN Cc1c(CNC(=O)[C@@H](N)C2CCCCC2)cccc1[N+](=O)[O-] ZINC001349421757 1151249476 /nfs/dbraw/zinc/24/94/76/1151249476.db2.gz YDAWAAWWYBYKBH-HNNXBMFYSA-N 0 3 305.378 2.427 20 5 DEBDHN O=C(NCCN1CCCCC1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001332846672 1149899814 /nfs/dbraw/zinc/89/98/14/1149899814.db2.gz ADCWSICBGQGHSQ-JKSUJKDBSA-N 0 3 317.389 2.300 20 5 DEBDHN C[C@@H](Nc1cc2c(cc1[N+](=O)[O-])CNC2)c1ncc(F)cn1 ZINC001171114617 790670168 /nfs/dbraw/zinc/67/01/68/790670168.db2.gz AQCVPUKEWXATKI-MRVPVSSYSA-N 0 3 303.297 2.300 20 5 DEBDHN O=C(NC[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1)C1CCC1 ZINC001086289931 784548709 /nfs/dbraw/zinc/54/87/09/784548709.db2.gz QWBNYOWBHBKHHW-NNUKFRKNSA-N 0 3 317.389 2.379 20 5 DEBDHN O=[N+]([O-])C[C@H]1CC[C@H](n2nc(C(F)(F)F)c3c2CCNC3)C1 ZINC001169038852 785013085 /nfs/dbraw/zinc/01/30/85/785013085.db2.gz KZNMFEWHNQXLDV-IUCAKERBSA-N 0 3 318.299 2.166 20 5 DEBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2CCN(c3ccccc3F)CC2)C1 ZINC001169026535 785020397 /nfs/dbraw/zinc/02/03/97/785020397.db2.gz MGNGSJAPEWMYIE-KBPBESRZSA-N 0 3 307.369 2.393 20 5 DEBDHN COc1c([O-])ccc(C[NH2+][C@H](C)C[C@@H]2CCOC2)c1[N+](=O)[O-] ZINC001333749745 1150086989 /nfs/dbraw/zinc/08/69/89/1150086989.db2.gz BZYPQNMBROQCAQ-MNOVXSKESA-N 0 3 310.350 2.214 20 5 DEBDHN COc1ccc(C[C@H](C)N2C[C@@H](O)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC001170328767 786910811 /nfs/dbraw/zinc/91/08/11/786910811.db2.gz MGFIBAQPJNHVAX-DYEKYZERSA-N 0 3 308.378 2.380 20 5 DEBDHN C[C@H](Nc1cc(C(F)(F)F)ccc1[N+](=O)[O-])[C@@H]1CNCCO1 ZINC001170567491 787642489 /nfs/dbraw/zinc/64/24/89/787642489.db2.gz JZTJSMSOIULCST-UFBFGSQYSA-N 0 3 319.283 2.402 20 5 DEBDHN CCN1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2OC)C(C)(C)C1 ZINC001178860545 795022809 /nfs/dbraw/zinc/02/28/09/795022809.db2.gz FBNFMDJPWAOJHX-CQSZACIVSA-N 0 3 321.377 2.064 20 5 DEBDHN N[C@H](C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)C1CCCCC1 ZINC001118269961 795171441 /nfs/dbraw/zinc/17/14/41/795171441.db2.gz SBQFPPYHYQZMJT-ZDUSSCGKSA-N 0 3 317.349 2.317 20 5 DEBDHN Cc1nn(C)c(N2CCN(C3CCCC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC001120874085 795549123 /nfs/dbraw/zinc/54/91/23/795549123.db2.gz HXFFWSAJQBDGDK-LLVKDONJSA-N 0 3 307.398 2.090 20 5 DEBDHN CC(=O)Nc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1Cl ZINC001122949730 795825232 /nfs/dbraw/zinc/82/52/32/795825232.db2.gz AVAHFXUIASQAJS-SSDOTTSWSA-N 0 3 300.698 2.120 20 5 DEBDHN CC(C)(F)C(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001154101441 797463321 /nfs/dbraw/zinc/46/33/21/797463321.db2.gz NPOKELMDWZBNCM-UHFFFAOYSA-N 0 3 303.359 2.000 20 5 DEBDHN Cc1cc(CN)nn1-c1ccc(-c2ccc(C)c([N+](=O)[O-])c2)nn1 ZINC001156042722 797912451 /nfs/dbraw/zinc/91/24/51/797912451.db2.gz OPFYWXCIVCYNBH-UHFFFAOYSA-N 0 3 324.344 2.313 20 5 DEBDHN NCc1nn(-c2cnc3cc([N+](=O)[O-])ccc3n2)c2ccccc12 ZINC001156856545 798096439 /nfs/dbraw/zinc/09/64/39/798096439.db2.gz YETYQSZUCDGRKW-UHFFFAOYSA-N 0 3 320.312 2.336 20 5 DEBDHN CN1CCC(N(c2ccc([N+](=O)[O-])c(N)n2)C2CCCC2)CC1 ZINC001158487652 798415211 /nfs/dbraw/zinc/41/52/11/798415211.db2.gz LDBDEDGZXZEDRO-UHFFFAOYSA-N 0 3 319.409 2.415 20 5 DEBDHN O=C(CCC(F)F)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001162642504 799136733 /nfs/dbraw/zinc/13/67/33/799136733.db2.gz ZFLCDDPRTCDURU-UHFFFAOYSA-N 0 3 315.320 2.236 20 5 DEBDHN Cc1c(F)cnc(N[C@H]2CCCC[C@@]23CNCCO3)c1[N+](=O)[O-] ZINC001163645723 799392998 /nfs/dbraw/zinc/39/29/98/799392998.db2.gz ASKLBDKZMXRPJS-SWLSCSKDSA-N 0 3 324.356 2.150 20 5 DEBDHN Cc1cc(CN)nn1-c1ncc(F)c2cc([N+](=O)[O-])ccc21 ZINC001163980480 799471307 /nfs/dbraw/zinc/47/13/07/799471307.db2.gz VZRNMKUOGALNFR-UHFFFAOYSA-N 0 3 301.281 2.235 20 5 DEBDHN CN(C)C1(C)CN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)C1 ZINC001165116679 799654107 /nfs/dbraw/zinc/65/41/07/799654107.db2.gz IRDWWZLQSMBIRB-UHFFFAOYSA-N 0 3 320.727 2.328 20 5 DEBDHN CSCC(C)(C)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000934672191 800420523 /nfs/dbraw/zinc/42/05/23/800420523.db2.gz GPAMBJZIRFGMQN-UHFFFAOYSA-N 0 3 323.418 2.215 20 5 DEBDHN CCN1CCC[C@H](Oc2ccc([N+](=O)[O-])cc2C(=O)OC)C1 ZINC001229059812 801216169 /nfs/dbraw/zinc/21/61/69/801216169.db2.gz VWNALAFJUGAEQP-LBPRGKRZSA-N 0 3 308.334 2.245 20 5 DEBDHN CCOC(=O)c1ccc(O[C@H]2CCN(CC)C2)cc1[N+](=O)[O-] ZINC001230913355 801528859 /nfs/dbraw/zinc/52/88/59/801528859.db2.gz VPHMKOAWIZKLLZ-LBPRGKRZSA-N 0 3 308.334 2.245 20 5 DEBDHN COc1cc(CO[C@H]2CCCN(C)C2)c([N+](=O)[O-])cc1OC ZINC001223908436 802822437 /nfs/dbraw/zinc/82/24/37/802822437.db2.gz FZFPBPQQNNNSJL-LBPRGKRZSA-N 0 3 310.350 2.223 20 5 DEBDHN O=[N+]([O-])c1ccc(CO[C@H]2CN3CCC2CC3)c([N+](=O)[O-])c1 ZINC001224097366 802835713 /nfs/dbraw/zinc/83/57/13/802835713.db2.gz TZWIWSXRRFHYJZ-AWEZNQCLSA-N 0 3 307.306 2.114 20 5 DEBDHN O=c1cc(O[C@H]2CN3CCC2CC3)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC001227219793 803217133 /nfs/dbraw/zinc/21/71/33/803217133.db2.gz JPNGECLRVWPSIX-HNNXBMFYSA-N 0 3 315.329 2.322 20 5 DEBDHN CC(C)N1CCC[C@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001334246314 1150245451 /nfs/dbraw/zinc/24/54/51/1150245451.db2.gz AEXXQOILZULYAP-INIZCTEOSA-N 0 3 317.389 2.352 20 5 DEBDHN Cc1c(Cc2noc([C@@H]3NC[C@@H]4C[C@@H]43)n2)cccc1[N+](=O)[O-] ZINC001331847155 1149723020 /nfs/dbraw/zinc/72/30/20/1149723020.db2.gz JYMNESGVNVYHAW-COPLHBTASA-N 0 3 300.318 2.157 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1[C@H](C)CN[C@@H](C)[C@H]1C ZINC001522828838 1069478289 /nfs/dbraw/zinc/47/82/89/1069478289.db2.gz ZMCSFDPHXSXZEN-FRRDWIJNSA-N 0 3 305.378 2.423 20 5 DEBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCCC[C@]23CCOC3)cc1 ZINC001460959295 1058552955 /nfs/dbraw/zinc/55/29/55/1058552955.db2.gz MRBLFLXXMWJJDK-HZPDHXFCSA-N 0 3 306.362 2.273 20 5 DEBDHN O=C(Nc1ccc(Nc2ccncc2)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC001469732056 1060003989 /nfs/dbraw/zinc/00/39/89/1060003989.db2.gz CZGRKHMDTMBUSZ-UHFFFAOYSA-N 0 3 324.300 2.131 20 5 DEBDHN CCN1C[C@H](NC(=O)c2cccc(C)c2[N+](=O)[O-])C(C)(C)C1 ZINC001472056408 1060390592 /nfs/dbraw/zinc/39/05/92/1060390592.db2.gz HOFPXUOLTHBLMI-ZDUSSCGKSA-N 0 3 305.378 2.363 20 5 DEBDHN CN1CCC[C@H](NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001628635032 1078300944 /nfs/dbraw/zinc/30/09/44/1078300944.db2.gz SLACDPNLNGJSSJ-NSHDSACASA-N 0 3 311.769 2.001 20 5 DEBDHN N[C@H](C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C1CCC1 ZINC001580110611 1067496758 /nfs/dbraw/zinc/49/67/58/1067496758.db2.gz XMWOIOLRWNSNMS-HOCLYGCPSA-N 0 3 317.389 2.428 20 5 DEBDHN C[C@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccnn1C ZINC001648091899 1074986773 /nfs/dbraw/zinc/98/67/73/1074986773.db2.gz HFCVCQVMKUDEFE-NSHDSACASA-N 0 3 317.349 2.008 20 5 DEBDHN C[N@@H+](Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C[C@@H]1CC1(C)C ZINC001591126441 1076709190 /nfs/dbraw/zinc/70/91/90/1076709190.db2.gz WARYWMRKSWQXMB-JTQLQIEISA-N 0 3 316.365 2.253 20 5 DEBDHN C[N@H+](Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C[C@@H]1CC1(C)C ZINC001591126441 1076709195 /nfs/dbraw/zinc/70/91/95/1076709195.db2.gz WARYWMRKSWQXMB-JTQLQIEISA-N 0 3 316.365 2.253 20 5 DEBDHN C[N@@H+](Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C[C@@H]1CC1(C)C ZINC001591126441 1076709198 /nfs/dbraw/zinc/70/91/98/1076709198.db2.gz WARYWMRKSWQXMB-JTQLQIEISA-N 0 3 316.365 2.253 20 5 DEBDHN C[N@H+](Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C[C@@H]1CC1(C)C ZINC001591126441 1076709201 /nfs/dbraw/zinc/70/92/01/1076709201.db2.gz WARYWMRKSWQXMB-JTQLQIEISA-N 0 3 316.365 2.253 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NCCN1CCCCC1 ZINC001658080601 1080194698 /nfs/dbraw/zinc/19/46/98/1080194698.db2.gz BFHWMGQDXXPMRN-UHFFFAOYSA-N 0 3 322.365 2.211 20 5 DEBDHN C[C@@H]1C[C@@H](N2CCN(c3ccccc3[N+](=O)[O-])CC2)CCO1 ZINC000957131297 1088051063 /nfs/dbraw/zinc/05/10/63/1088051063.db2.gz MMZAQUOHPQEAMB-KGLIPLIRSA-N 0 3 305.378 2.284 20 5 DEBDHN CCOc1cc(CN[C@@H]2CCC[C@H]2C(=O)OC)ccc1[N+](=O)[O-] ZINC001322652609 1141669209 /nfs/dbraw/zinc/66/92/09/1141669209.db2.gz DDMMEEQPGJWXGB-CHWSQXEVSA-N 0 3 322.361 2.425 20 5 DEBDHN Cc1nn(CN2CCN(C)C(C)(C)C2)c2cc([N+](=O)[O-])ccc12 ZINC001337169770 1142701413 /nfs/dbraw/zinc/70/14/13/1142701413.db2.gz PSDZOPJUSHBSNN-UHFFFAOYSA-N 0 3 317.393 2.236 20 5 DEBDHN CCc1nn(C)c(N2CCN(C3CCCC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC001338098606 1142828564 /nfs/dbraw/zinc/82/85/64/1142828564.db2.gz QQJIMHPRBACVTD-GFCCVEGCSA-N 0 3 321.425 2.344 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](NCc1cn(CCF)cn1)C2 ZINC001254586956 1143267761 /nfs/dbraw/zinc/26/77/61/1143267761.db2.gz NLMPMQFSJSCIMK-ZDUSSCGKSA-N 0 3 304.325 2.018 20 5 DEBDHN C[C@@H](NC(=O)C1(N)CC2(CCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001341108355 1143541361 /nfs/dbraw/zinc/54/13/61/1143541361.db2.gz MAGXRUMEYMFDAT-LLVKDONJSA-N 0 3 303.362 2.434 20 5 DEBDHN O=C(CCNCc1ccc([N+](=O)[O-])cc1)Nc1cccnc1 ZINC001262557740 1144318600 /nfs/dbraw/zinc/31/86/00/1144318600.db2.gz LATXAEJTUWVKME-UHFFFAOYSA-N 0 3 300.318 2.108 20 5 DEBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCN(C)C1 ZINC000137569813 282096411 /nfs/dbraw/zinc/09/64/11/282096411.db2.gz HELGSGXLVQXLDY-NSHDSACASA-N 0 3 323.418 2.388 20 5 DEBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCN(C)C1 ZINC000137569901 282096426 /nfs/dbraw/zinc/09/64/26/282096426.db2.gz HELGSGXLVQXLDY-LLVKDONJSA-N 0 3 323.418 2.388 20 5 DEBDHN C[C@@H](CCn1cccn1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278565134 214240849 /nfs/dbraw/zinc/24/08/49/214240849.db2.gz BITPKCFZYRTYHW-NSHDSACASA-N 0 3 314.349 2.236 20 5 DEBDHN C[C@@H](NCC1(CS(C)(=O)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000090182971 185285979 /nfs/dbraw/zinc/28/59/79/185285979.db2.gz JMPRVJQFCKDYFG-LLVKDONJSA-N 0 3 312.391 2.070 20 5 DEBDHN CCNC(=O)N1CC[C@@H](N[C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000090410201 185294856 /nfs/dbraw/zinc/29/48/56/185294856.db2.gz MSLZUFFGLPNOCU-CHWSQXEVSA-N 0 3 320.393 2.358 20 5 DEBDHN CC(C)(C)[C@@H](CCO)NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000181462800 199300673 /nfs/dbraw/zinc/30/06/73/199300673.db2.gz FJHXCENZCYBXFL-CQSZACIVSA-N 0 3 324.377 2.348 20 5 DEBDHN CC[C@]1(CO)CCCN1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000189612907 282314359 /nfs/dbraw/zinc/31/43/59/282314359.db2.gz FSYSRIKZRPXYJI-MRXNPFEDSA-N 0 3 324.377 2.219 20 5 DEBDHN CN1CC[C@@H]2CCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000272691016 210098109 /nfs/dbraw/zinc/09/81/09/210098109.db2.gz XBCIURQZBHNSJF-LREFGLRZSA-N 0 3 315.373 2.161 20 5 DEBDHN CCC(O)(CC)CCNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000615947453 362736496 /nfs/dbraw/zinc/73/64/96/362736496.db2.gz YHBJWPGGYJNEQV-UHFFFAOYSA-N 0 3 324.377 2.397 20 5 DEBDHN Cc1cc(C(=O)N2CC[C@H]3CCN(C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000272630022 210032919 /nfs/dbraw/zinc/03/29/19/210032919.db2.gz NBSWRTKLSOZVNI-IUODEOHRSA-N 0 3 303.362 2.069 20 5 DEBDHN CC(C)N(CCN(C)C)C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000255193066 282622571 /nfs/dbraw/zinc/62/25/71/282622571.db2.gz TZBLMNHGHDBWTK-KTKRTIGZSA-N 0 3 305.378 2.407 20 5 DEBDHN C[C@H]1[C@H](N2CCCC2)CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000287051051 219288086 /nfs/dbraw/zinc/28/80/86/219288086.db2.gz JHGLQJHOZNKBOU-SWLSCSKDSA-N 0 3 303.362 2.294 20 5 DEBDHN C[C@H]1C[C@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])CCN1C ZINC000149461670 186050120 /nfs/dbraw/zinc/05/01/20/186050120.db2.gz RQRLFMAWYWNANW-VHSXEESVSA-N 0 3 311.769 2.461 20 5 DEBDHN CCN1CCC[C@H]1CN(C)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000150727388 186060587 /nfs/dbraw/zinc/06/05/87/186060587.db2.gz YDFRIVGUERNCES-LBPRGKRZSA-N 0 3 309.341 2.290 20 5 DEBDHN CC[C@@]1(NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCOC1 ZINC000616865390 362952584 /nfs/dbraw/zinc/95/25/84/362952584.db2.gz PMDYRGCCDSZIOE-OAHLLOKOSA-N 0 3 307.350 2.000 20 5 DEBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCCN1CCCC1 ZINC000172100351 198039249 /nfs/dbraw/zinc/03/92/49/198039249.db2.gz SRIRVSFCCXLUIZ-UHFFFAOYSA-N 0 3 311.769 2.003 20 5 DEBDHN CCN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)CC(C)C ZINC000172170662 198052189 /nfs/dbraw/zinc/05/21/89/198052189.db2.gz CKZVTDYMSWTRQL-UHFFFAOYSA-N 0 3 305.378 2.462 20 5 DEBDHN CNc1ccc(C(=O)N[C@@H](C)CN2CCCCC2)cc1[N+](=O)[O-] ZINC000024803751 354068425 /nfs/dbraw/zinc/06/84/25/354068425.db2.gz BBTRXIUNVOETMR-LBPRGKRZSA-N 0 3 320.393 2.241 20 5 DEBDHN CCN1CCC(N(C)C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000043064239 354212472 /nfs/dbraw/zinc/21/24/72/354212472.db2.gz AMOFYPNDSDSWTE-UHFFFAOYSA-N 0 3 305.378 2.460 20 5 DEBDHN COc1ccc(C(=O)NCCN2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000047145653 354308289 /nfs/dbraw/zinc/30/82/89/354308289.db2.gz KYTBCTRURQBHRJ-LBPRGKRZSA-N 0 3 321.377 2.065 20 5 DEBDHN CCN1CCC(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000058860554 354600014 /nfs/dbraw/zinc/60/00/14/354600014.db2.gz IALTWEVIRFMQJB-UHFFFAOYSA-N 0 3 316.361 2.290 20 5 DEBDHN Cc1ccc(C(=O)N2CCCC[C@H]2CN(C)C)cc1[N+](=O)[O-] ZINC000066947403 354740712 /nfs/dbraw/zinc/74/07/12/354740712.db2.gz RGNCAGINQVCQRZ-AWEZNQCLSA-N 0 3 305.378 2.460 20 5 DEBDHN CC(C)N1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000068800371 354833864 /nfs/dbraw/zinc/83/38/64/354833864.db2.gz TUDHXSSGLGJWNW-UHFFFAOYSA-N 0 3 305.378 2.080 20 5 DEBDHN CCCN1CC[C@@H](NC(=O)NCc2cccc([N+](=O)[O-])c2C)C1 ZINC000595587654 358493093 /nfs/dbraw/zinc/49/30/93/358493093.db2.gz JLJRGVGHZWQDBV-CQSZACIVSA-N 0 3 320.393 2.187 20 5 DEBDHN CN1CC[C@@]2(CCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])C2)C1 ZINC000292317314 283106000 /nfs/dbraw/zinc/10/60/00/283106000.db2.gz STTWMGUQAKTALY-OAHLLOKOSA-N 0 3 323.780 2.416 20 5 DEBDHN CCOC(=O)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000167448492 355977442 /nfs/dbraw/zinc/97/74/42/355977442.db2.gz KENAPTLSRKFNTJ-UHFFFAOYSA-N 0 3 306.362 2.412 20 5 DEBDHN CC[C@@H](C)[C@@H](C)NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000183014148 356156018 /nfs/dbraw/zinc/15/60/18/356156018.db2.gz MJNKGYTZDADLHM-NXEZZACHSA-N 0 3 323.349 2.286 20 5 DEBDHN CCOC(=O)C[C@H](C)N(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000182668849 356138872 /nfs/dbraw/zinc/13/88/72/356138872.db2.gz IQXNRIQDUICDBT-LBPRGKRZSA-N 0 3 310.350 2.247 20 5 DEBDHN CCN(CCNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000185165963 356202525 /nfs/dbraw/zinc/20/25/25/356202525.db2.gz MVYODIJIJZFTEK-NSHDSACASA-N 0 3 323.368 2.438 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)N2CCCC2)c1 ZINC000579027227 356910303 /nfs/dbraw/zinc/91/03/03/356910303.db2.gz WVEZLNWYRXEVOM-LBPRGKRZSA-N 0 3 321.377 2.208 20 5 DEBDHN CC(C)(O)C(C)(C)CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590662547 357574878 /nfs/dbraw/zinc/57/48/78/357574878.db2.gz MTTXVBIAQCSABI-UHFFFAOYSA-N 0 3 324.377 2.253 20 5 DEBDHN Cc1ccncc1CNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000591770704 357758344 /nfs/dbraw/zinc/75/83/44/357758344.db2.gz ZWCMHVNYFVKICT-UHFFFAOYSA-N 0 3 314.345 2.417 20 5 DEBDHN CC[C@H]1CN(C)CCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000591849952 357768255 /nfs/dbraw/zinc/76/82/55/357768255.db2.gz BAIJZLRHLSDJOW-AWEZNQCLSA-N 0 3 307.394 2.390 20 5 DEBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCc2ccccc21 ZINC000179313774 199014152 /nfs/dbraw/zinc/01/41/52/199014152.db2.gz DXTCDCSJBHSIHX-MRXNPFEDSA-N 0 3 313.357 2.376 20 5 DEBDHN CC1(C)CN[C@@H]1C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000592966019 357977875 /nfs/dbraw/zinc/97/78/75/357977875.db2.gz SOHRIKPVQPZIJQ-CQSZACIVSA-N 0 3 303.362 2.084 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N(C)CCN2CCCCC2)c1 ZINC000593882126 358164199 /nfs/dbraw/zinc/16/41/99/358164199.db2.gz CPJBNAKJYXWPSH-UHFFFAOYSA-N 0 3 305.378 2.461 20 5 DEBDHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)c1cc(F)cc([N+](=O)[O-])c1 ZINC000594196805 358221667 /nfs/dbraw/zinc/22/16/67/358221667.db2.gz NGLKSHRKZBGKMT-HUUCEWRRSA-N 0 3 321.352 2.481 20 5 DEBDHN Cn1nnc2c1CC[C@H](NCc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000594511910 358286224 /nfs/dbraw/zinc/28/62/24/358286224.db2.gz AJKQPCROGASJIG-JTQLQIEISA-N 0 3 321.768 2.024 20 5 DEBDHN COc1cc(CN[C@H]2CC[N@@H+](C(C)(C)C)C2)c([N+](=O)[O-])cc1[O-] ZINC000594957195 358368272 /nfs/dbraw/zinc/36/82/72/358368272.db2.gz PNSATCVFJNSXHN-LBPRGKRZSA-N 0 3 323.393 2.271 20 5 DEBDHN COc1cc(CN[C@H]2CC[N@H+](C(C)(C)C)C2)c([N+](=O)[O-])cc1[O-] ZINC000594957195 358368274 /nfs/dbraw/zinc/36/82/74/358368274.db2.gz PNSATCVFJNSXHN-LBPRGKRZSA-N 0 3 323.393 2.271 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H](O)C1CCOCC1 ZINC000595018709 358378390 /nfs/dbraw/zinc/37/83/90/358378390.db2.gz FEFIZVXBCVAFHK-ABAIWWIYSA-N 0 3 324.377 2.042 20 5 DEBDHN CCN1C[C@@H](CN[C@@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1=O ZINC000595044568 358382794 /nfs/dbraw/zinc/38/27/94/358382794.db2.gz CDOQNTQAVORRSH-NWDGAFQWSA-N 0 3 321.377 2.122 20 5 DEBDHN C[C@H](CO)[C@@H]1CCCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000595678646 358519819 /nfs/dbraw/zinc/51/98/19/358519819.db2.gz SBKXTRMYVMSQGG-CJNGLKHVSA-N 0 3 308.378 2.457 20 5 DEBDHN Cc1noc(CN2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c1[N+](=O)[O-] ZINC000595388900 358437226 /nfs/dbraw/zinc/43/72/26/358437226.db2.gz YOMZZCZHCFBHLP-JSGCOSHPSA-N 0 3 320.393 2.340 20 5 DEBDHN CC1CCC(N2CCN(c3ccc(N)c([N+](=O)[O-])n3)CC2)CC1 ZINC000596128851 358617448 /nfs/dbraw/zinc/61/74/48/358617448.db2.gz OXFZQDJGIMRWOF-UHFFFAOYSA-N 0 3 319.409 2.273 20 5 DEBDHN CCCN(CCN1CCCC1)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596231600 358647699 /nfs/dbraw/zinc/64/76/99/358647699.db2.gz LQXIZNNPAYZYJZ-UHFFFAOYSA-N 0 3 320.393 2.006 20 5 DEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)C[C@@H]1COCCO1 ZINC000597207959 358854048 /nfs/dbraw/zinc/85/40/48/358854048.db2.gz XVOCTKSWBBATFR-LPDYGMJQSA-N 0 3 306.362 2.345 20 5 DEBDHN CC(C)c1n[nH]c(C(=O)N[C@H]2CCN(C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000597925862 359043812 /nfs/dbraw/zinc/04/38/12/359043812.db2.gz XKMDXNDOSZJSSM-JTQLQIEISA-N 0 3 323.397 2.044 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000597926033 359044656 /nfs/dbraw/zinc/04/46/56/359044656.db2.gz ZTVDYCXWJUFKHP-NSHDSACASA-N 0 3 321.377 2.206 20 5 DEBDHN CCCN1CC[C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000598341782 359169398 /nfs/dbraw/zinc/16/93/98/359169398.db2.gz GCQRQCCBVQPQKW-GFCCVEGCSA-N 0 3 311.769 2.462 20 5 DEBDHN CC(C)[C@@H]1CN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CCN1 ZINC000598569801 359244630 /nfs/dbraw/zinc/24/46/30/359244630.db2.gz FDQAZOMUDLWRJN-WFASDCNBSA-N 0 3 305.378 2.155 20 5 DEBDHN COc1cc(CNC[C@H]2CCCC[N@H+](C)C2)c([N+](=O)[O-])cc1[O-] ZINC000598994019 359378824 /nfs/dbraw/zinc/37/88/24/359378824.db2.gz FULLAYVYWZOYQO-GFCCVEGCSA-N 0 3 323.393 2.131 20 5 DEBDHN COc1cc(CNC[C@H]2CCCC[N@@H+](C)C2)c([N+](=O)[O-])cc1[O-] ZINC000598994019 359378829 /nfs/dbraw/zinc/37/88/29/359378829.db2.gz FULLAYVYWZOYQO-GFCCVEGCSA-N 0 3 323.393 2.131 20 5 DEBDHN C[C@@H](Nc1ncc([N+](=O)[O-])cn1)[C@@H](c1ccccc1)N(C)C ZINC000281065810 216055884 /nfs/dbraw/zinc/05/58/84/216055884.db2.gz ZRAGFBUBDRZCFX-RISCZKNCSA-N 0 3 301.350 2.488 20 5 DEBDHN COc1ccc(CNC(=O)CN(C)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000602078925 360257886 /nfs/dbraw/zinc/25/78/86/360257886.db2.gz CAWRMIYLHPYLLL-UHFFFAOYSA-N 0 3 323.393 2.198 20 5 DEBDHN CO[C@]1(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)CCOC1 ZINC000602440728 360374078 /nfs/dbraw/zinc/37/40/78/360374078.db2.gz SHEKFKKHQQJXHE-INIZCTEOSA-N 0 3 306.362 2.365 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H](OC2CCC2)C1 ZINC000602875257 360603304 /nfs/dbraw/zinc/60/33/04/360603304.db2.gz YLCJDWXTXZEMIT-CQSZACIVSA-N 0 3 308.382 2.133 20 5 DEBDHN CC(C)(C)[C@@H](N)c1cn(Cc2ccc([N+](=O)[O-])cc2F)nn1 ZINC000603224262 360754714 /nfs/dbraw/zinc/75/47/14/360754714.db2.gz OLIOUNFSLWAQKH-ZDUSSCGKSA-N 0 3 307.329 2.420 20 5 DEBDHN CCOC1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000604273890 360894451 /nfs/dbraw/zinc/89/44/51/360894451.db2.gz YAZIKTTZVAHCIN-UHFFFAOYSA-N 0 3 321.377 2.424 20 5 DEBDHN CN1CC=C(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000271920072 209325145 /nfs/dbraw/zinc/32/51/45/209325145.db2.gz KDFUGGVOGBGVAX-UHFFFAOYSA-N 0 3 309.753 2.240 20 5 DEBDHN C[C@H]1CN(c2sccc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000611414305 361595733 /nfs/dbraw/zinc/59/57/33/361595733.db2.gz QZIIWCMKGJPOAZ-STQMWFEESA-N 0 3 324.450 2.119 20 5 DEBDHN O=[N+]([O-])c1cccc2ncnc(N3CCN(CC4CC4)CC3)c21 ZINC000611564985 361632182 /nfs/dbraw/zinc/63/21/82/361632182.db2.gz HBUURBMOBDNOBZ-UHFFFAOYSA-N 0 3 313.361 2.070 20 5 DEBDHN C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000287299531 291283467 /nfs/dbraw/zinc/28/34/67/291283467.db2.gz UFFURRDCBOWWGE-FZMZJTMJSA-N 0 3 321.352 2.433 20 5 DEBDHN CC[C@@H]1CN(C)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000619566965 363828062 /nfs/dbraw/zinc/82/80/62/363828062.db2.gz CWJJFVNQKRWHHV-LLVKDONJSA-N 0 3 309.341 2.290 20 5 DEBDHN O=C(C[C@@H]1CSCCN1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000091135062 193001550 /nfs/dbraw/zinc/00/15/50/193001550.db2.gz ZLXADXHWRHWMTJ-SECBINFHSA-N 0 3 315.782 2.282 20 5 DEBDHN CO[C@H]1C[C@H](NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1(C)C ZINC000451496062 243026235 /nfs/dbraw/zinc/02/62/35/243026235.db2.gz LRIMKCFKEWJVGG-KBPBESRZSA-N 0 3 321.377 2.245 20 5 DEBDHN COc1ccc(OCCN2CC[C@H](OC)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000451542404 243087700 /nfs/dbraw/zinc/08/77/00/243087700.db2.gz JQDTURJKOLYLLI-WFASDCNBSA-N 0 3 324.377 2.339 20 5 DEBDHN CO[C@@H]1CCCC[C@H]1N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000275177413 212174413 /nfs/dbraw/zinc/17/44/13/212174413.db2.gz CNUAUPIGDYBVEY-KCPJHIHWSA-N 0 3 321.377 2.469 20 5 DEBDHN CO[C@@H]1CCC[C@H]1N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000451632267 243240014 /nfs/dbraw/zinc/24/00/14/243240014.db2.gz NSDRAVIEOBTKBL-LERXQTSPSA-N 0 3 307.350 2.079 20 5 DEBDHN O=[N+]([O-])c1ccn(CCN2CCCc3ccccc3CC2)n1 ZINC000451713589 243353627 /nfs/dbraw/zinc/35/36/27/243353627.db2.gz STZPRABXYPYCMY-UHFFFAOYSA-N 0 3 300.362 2.282 20 5 DEBDHN CCC(CC)(CCO)NCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000282445997 217001681 /nfs/dbraw/zinc/00/16/81/217001681.db2.gz LMHMNCPLSFSHGP-UHFFFAOYSA-N 0 3 323.393 2.373 20 5 DEBDHN O=C(c1ccccc1[N+](=O)[O-])N1CC[C@@H](N2CCCCC2)C1 ZINC000264602791 204023326 /nfs/dbraw/zinc/02/33/26/204023326.db2.gz NWBCLCINXBNOKM-CYBMUJFWSA-N 0 3 303.362 2.295 20 5 DEBDHN CC[C@H]1CCCCN1CCNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000264892026 204245812 /nfs/dbraw/zinc/24/58/12/204245812.db2.gz FHDQFXSDDMUAOU-ZDUSSCGKSA-N 0 3 320.393 2.171 20 5 DEBDHN C[C@@H]1[C@@H](Nc2c([N+](=O)[O-])ncn2C)CCN1Cc1ccccc1 ZINC000288363193 220108987 /nfs/dbraw/zinc/10/89/87/220108987.db2.gz XUXHKEGRNQEKQZ-OCCSQVGLSA-N 0 3 315.377 2.403 20 5 DEBDHN COCCn1cc(CN(C)CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000283001390 217380045 /nfs/dbraw/zinc/38/00/45/217380045.db2.gz KSXFWKUKDNEBKE-UHFFFAOYSA-N 0 3 318.377 2.112 20 5 DEBDHN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[C@@H](N2CCCCC2)C1 ZINC000268120493 296217483 /nfs/dbraw/zinc/21/74/83/296217483.db2.gz ALUZLUGIBSZWQV-CYBMUJFWSA-N 0 3 321.352 2.434 20 5 DEBDHN COc1ccc(CN[C@@H]2CCCc3cn[nH]c32)cc1[N+](=O)[O-] ZINC000268873142 207043046 /nfs/dbraw/zinc/04/30/46/207043046.db2.gz VUMDHQQKMUCKJI-GFCCVEGCSA-N 0 3 302.334 2.494 20 5 DEBDHN CC[C@H](CNc1nc(C(=O)OC)ccc1[N+](=O)[O-])N1CCCC1 ZINC000286178922 218832520 /nfs/dbraw/zinc/83/25/20/218832520.db2.gz QACWVIGLXLVQJB-LLVKDONJSA-N 0 3 322.365 2.063 20 5 DEBDHN O=[N+]([O-])c1ccccc1N1CCN(CC[C@@H]2CCOC2)CC1 ZINC000332137901 285163350 /nfs/dbraw/zinc/16/33/50/285163350.db2.gz MKJQOWKZCNJNKM-CQSZACIVSA-N 0 3 305.378 2.143 20 5 DEBDHN COc1cccc(C(=O)N(C)[C@H]2CCN(C)C[C@H]2C)c1[N+](=O)[O-] ZINC000194450164 533394111 /nfs/dbraw/zinc/39/41/11/533394111.db2.gz QQPUWECGNZFXFR-YPMHNXCESA-N 0 3 321.377 2.016 20 5 DEBDHN C[C@H](NC(=O)N1C[C@@H](C)NC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000418229273 533612035 /nfs/dbraw/zinc/61/20/35/533612035.db2.gz GQDZCYNPIKYZBT-WOPDTQHZSA-N 0 3 306.366 2.048 20 5 DEBDHN C[C@@H]1CCN(CCNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000562683123 292002387 /nfs/dbraw/zinc/00/23/87/292002387.db2.gz KNJMKAGZWRSBKB-SNVBAGLBSA-N 0 3 311.769 2.320 20 5 DEBDHN COc1cccc(NC[C@@H](O)CN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000355408494 133024546 /nfs/dbraw/zinc/02/45/46/133024546.db2.gz BMZZFTWICUPENH-CYBMUJFWSA-N 0 3 323.393 2.108 20 5 DEBDHN C[C@H](N[C@@H]1CCO[C@@H]1C1CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000377274301 133324846 /nfs/dbraw/zinc/32/48/46/133324846.db2.gz XUZVDNWMUJCARO-PSOPSSQASA-N 0 3 319.361 2.079 20 5 DEBDHN Cc1cc(NC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000372960509 133371675 /nfs/dbraw/zinc/37/16/75/133371675.db2.gz WEIIVVSSXCVHCF-WFASDCNBSA-N 0 3 318.377 2.461 20 5 DEBDHN O=[N+]([O-])c1ccc(CN2CC[C@@H](N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000193834688 145091123 /nfs/dbraw/zinc/09/11/23/145091123.db2.gz SJUBEZIOWFPXGT-CQSZACIVSA-N 0 3 320.349 2.173 20 5 DEBDHN C[C@H]1C[C@H]1N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000346158913 146027330 /nfs/dbraw/zinc/02/73/30/146027330.db2.gz CRUYXYBRUXJBMT-HEHGZKQESA-N 0 3 317.389 2.397 20 5 DEBDHN Cc1c(CNC(=O)N[C@H]2CCN(C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000358927254 147232421 /nfs/dbraw/zinc/23/24/21/147232421.db2.gz GMXOKBBDYDSVPI-FZMZJTMJSA-N 0 3 320.393 2.185 20 5 DEBDHN Cc1c(CNC(=O)NC[C@H]2CCCN(C)C2)cccc1[N+](=O)[O-] ZINC000565574097 292171496 /nfs/dbraw/zinc/17/14/96/292171496.db2.gz AHGKJRUAULNBLO-CYBMUJFWSA-N 0 3 320.393 2.044 20 5 DEBDHN CN1CC[C@H]2CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000374873185 148299055 /nfs/dbraw/zinc/29/90/55/148299055.db2.gz GYKGNHYTSIHZBY-IINYFYTJSA-N 0 3 323.780 2.414 20 5 DEBDHN CCN1CCC[C@@H]1CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000073758376 401721375 /nfs/dbraw/zinc/72/13/75/401721375.db2.gz FDBTYSSZZQYQCB-SWLSCSKDSA-N 0 3 320.393 2.439 20 5 DEBDHN Cc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)ccc1[N+](=O)[O-] ZINC000073994280 401726923 /nfs/dbraw/zinc/72/69/23/401726923.db2.gz SQQIXELOBSBNLA-KGLIPLIRSA-N 0 3 303.362 2.212 20 5 DEBDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)c1ccc([N+](=O)[O-])cc1F)C2 ZINC000073997014 401727185 /nfs/dbraw/zinc/72/71/85/401727185.db2.gz PLWLQPFQHPZEII-CMPLNLGQSA-N 0 3 307.325 2.043 20 5 DEBDHN Cc1c([C@H](C)N[C@@H](C)CCS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000127287475 401727303 /nfs/dbraw/zinc/72/73/03/401727303.db2.gz MFZUYGHVXAKGKI-JQWIXIFHSA-N 0 3 314.407 2.377 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](C)CCS(C)(=O)=O ZINC000127285614 401727543 /nfs/dbraw/zinc/72/75/43/401727543.db2.gz PZUJCWCQTNCPCZ-RYUDHWBXSA-N 0 3 314.407 2.377 20 5 DEBDHN CCN1CCC[C@@H]1CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000007724445 401743281 /nfs/dbraw/zinc/74/32/81/401743281.db2.gz BHWAXYRFINRNSZ-LLVKDONJSA-N 0 3 311.769 2.462 20 5 DEBDHN CCN1CCCC[C@@H]1CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000111461178 401716146 /nfs/dbraw/zinc/71/61/46/401716146.db2.gz GOQUHGJTZXVMFM-OAHLLOKOSA-N 0 3 320.393 2.268 20 5 DEBDHN COc1cc(C(=O)NC[C@@H](CC(C)C)N(C)C)ccc1[N+](=O)[O-] ZINC000114377552 401797580 /nfs/dbraw/zinc/79/75/80/401797580.db2.gz ICOQJLBMRQRSGO-CYBMUJFWSA-N 0 3 323.393 2.310 20 5 DEBDHN COc1cc(CNC[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])cc1OC ZINC000077465167 401816611 /nfs/dbraw/zinc/81/66/11/401816611.db2.gz MZGBHODRJYHJIW-SMDDNHRTSA-N 0 3 324.377 2.253 20 5 DEBDHN NC(=O)CCN(Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000025931217 401837900 /nfs/dbraw/zinc/83/79/00/401837900.db2.gz AHOQVLQYCHLENP-UHFFFAOYSA-N 0 3 313.357 2.472 20 5 DEBDHN O=C(N[C@H]1CCN(C2CCCC2)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000134295177 401901682 /nfs/dbraw/zinc/90/16/82/401901682.db2.gz RICVCYNCUGUJNY-LBPRGKRZSA-N 0 3 321.352 2.481 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N(CCN(C)C)C(C)C ZINC000122826289 402096467 /nfs/dbraw/zinc/09/64/67/402096467.db2.gz FEYVJBFHXLNZLB-UHFFFAOYSA-N 0 3 324.381 2.407 20 5 DEBDHN CCOc1ccc(C(=O)N2CCC[C@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000068342345 402194369 /nfs/dbraw/zinc/19/43/69/402194369.db2.gz KZYDHOPNANRNIP-ZDUSSCGKSA-N 0 3 321.377 2.160 20 5 DEBDHN CN(C)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000068341674 402194407 /nfs/dbraw/zinc/19/44/07/402194407.db2.gz HDZWWLCVKBZIQH-NSHDSACASA-N 0 3 311.769 2.414 20 5 DEBDHN CCOc1ccc(C(=O)NC[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000108330094 402249677 /nfs/dbraw/zinc/24/96/77/402249677.db2.gz AYHSACHXUPKTAT-LBPRGKRZSA-N 0 3 321.377 2.065 20 5 DEBDHN CSc1ccc(C(=O)NC[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000108343915 402250275 /nfs/dbraw/zinc/25/02/75/402250275.db2.gz NIIICWYUHKRMRW-LLVKDONJSA-N 0 3 323.418 2.388 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](C)CN1CCOCC1 ZINC000156782670 402288481 /nfs/dbraw/zinc/28/84/81/402288481.db2.gz SPKDNPSCQCNGQW-KBPBESRZSA-N 0 3 307.394 2.275 20 5 DEBDHN O=[N+]([O-])c1ccc(CNCCN2CCSCC2)c(Cl)c1 ZINC000230142877 402348024 /nfs/dbraw/zinc/34/80/24/402348024.db2.gz PNQZNPGXOPETHL-UHFFFAOYSA-N 0 3 315.826 2.387 20 5 DEBDHN O=[N+]([O-])c1ccn(CCN2CCC(OCC3CCCC3)CC2)n1 ZINC000177481663 402407619 /nfs/dbraw/zinc/40/76/19/402407619.db2.gz VYCXKFDVDCLRJA-UHFFFAOYSA-N 0 3 322.409 2.463 20 5 DEBDHN CC(C)(C)NC(=O)CN[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000177764115 402433536 /nfs/dbraw/zinc/43/35/36/402433536.db2.gz IXRONWOWKQGTJB-AWEZNQCLSA-N 0 3 319.405 2.420 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)c1 ZINC000164092802 402460548 /nfs/dbraw/zinc/46/05/48/402460548.db2.gz ANNJSRYDJRTBHK-UKRRQHHQSA-N 0 3 317.389 2.460 20 5 DEBDHN CN(C)CCN(C(=O)c1cccc([N+](=O)[O-])c1N)C1CCCC1 ZINC000178199321 402470174 /nfs/dbraw/zinc/47/01/74/402470174.db2.gz GALOPCZWOVVHQS-UHFFFAOYSA-N 0 3 320.393 2.123 20 5 DEBDHN Cc1c(CN2CCC[C@@H](CCC(N)=O)C2)cccc1[N+](=O)[O-] ZINC000170733171 402518102 /nfs/dbraw/zinc/51/81/02/402518102.db2.gz VUNVCKSSQXVEFS-ZDUSSCGKSA-N 0 3 305.378 2.381 20 5 DEBDHN CC[C@H](NCCN1CCOC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000178661116 402522858 /nfs/dbraw/zinc/52/28/58/402522858.db2.gz OPJJNHODCCFCHX-BBRMVZONSA-N 0 3 307.394 2.356 20 5 DEBDHN C[C@@H]1CC[C@H](CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)O1 ZINC000190878409 402629260 /nfs/dbraw/zinc/62/92/60/402629260.db2.gz XZPFYALMTNRBOJ-MBNYWOFBSA-N 0 3 306.366 2.044 20 5 DEBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCc3cccnc3)C2)nc1 ZINC000173466823 402698898 /nfs/dbraw/zinc/69/88/98/402698898.db2.gz MIGPZEHRHBTVHA-CQSZACIVSA-N 0 3 313.361 2.114 20 5 DEBDHN O=[N+]([O-])c1ccccc1OCCN[C@H](CO)c1ccccc1 ZINC000182927554 402727899 /nfs/dbraw/zinc/72/78/99/402727899.db2.gz NBQISZWDPVFOEN-CQSZACIVSA-N 0 3 302.330 2.297 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NCCN1CCC[C@H](C)C1 ZINC000192473241 402731414 /nfs/dbraw/zinc/73/14/14/402731414.db2.gz KGMCVBCOYURJSK-LBPRGKRZSA-N 0 3 305.378 2.365 20 5 DEBDHN C[C@H](CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)N1CCOCC1 ZINC000192634795 402741627 /nfs/dbraw/zinc/74/16/27/402741627.db2.gz WQFLWHHDEGWUSZ-CXAGYDPISA-N 0 3 319.405 2.283 20 5 DEBDHN CC[C@H]1CCCCN1CCNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183632929 402783633 /nfs/dbraw/zinc/78/36/33/402783633.db2.gz OBDWCSZKSSTVPY-LBPRGKRZSA-N 0 3 321.381 2.376 20 5 DEBDHN CC[C@H]1CCCCN1CCNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000184405131 402841759 /nfs/dbraw/zinc/84/17/59/402841759.db2.gz IUNRFMRRZZMYQC-LBPRGKRZSA-N 0 3 320.393 2.171 20 5 DEBDHN COCCN(C)CCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000271337709 402859724 /nfs/dbraw/zinc/85/97/24/402859724.db2.gz RBWWCZOEJNBQRM-UHFFFAOYSA-N 0 3 304.350 2.133 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000278893401 402883122 /nfs/dbraw/zinc/88/31/22/402883122.db2.gz ZQUKMVOELXHLET-AAEUAGOBSA-N 0 3 303.362 2.116 20 5 DEBDHN Cc1c(NC(=O)NCC2=CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000272029761 402888755 /nfs/dbraw/zinc/88/87/55/402888755.db2.gz WJOOPEKEFLMOJY-UHFFFAOYSA-N 0 3 304.350 2.287 20 5 DEBDHN CN1CCC(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000265768493 402947844 /nfs/dbraw/zinc/94/78/44/402947844.db2.gz CCOOIZQKCJNZCI-UHFFFAOYSA-N 0 3 305.378 2.083 20 5 DEBDHN CN(CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000265613631 402933568 /nfs/dbraw/zinc/93/35/68/402933568.db2.gz XWWUKEISDWYXOJ-UHFFFAOYSA-N 0 3 311.769 2.001 20 5 DEBDHN CC[C@@H](C)CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273526801 403012125 /nfs/dbraw/zinc/01/21/25/403012125.db2.gz ZZTPJBRGMNJKFR-LLVKDONJSA-N 0 3 300.380 2.004 20 5 DEBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000274336931 403046106 /nfs/dbraw/zinc/04/61/06/403046106.db2.gz CCZDJFUEBUZWNE-NOZJJQNGSA-N 0 3 323.780 2.461 20 5 DEBDHN C[C@H](CCN1CCN(C)CC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000274430484 403055004 /nfs/dbraw/zinc/05/50/04/403055004.db2.gz DUDGXUZXEXYZJI-GFCCVEGCSA-N 0 3 310.373 2.172 20 5 DEBDHN C[C@H]1C[C@@H](Nc2c([N+](=O)[O-])ncn2C)CN1Cc1ccccc1 ZINC000268152316 403055048 /nfs/dbraw/zinc/05/50/48/403055048.db2.gz MXZYFOYZQVBNDD-GXTWGEPZSA-N 0 3 315.377 2.403 20 5 DEBDHN COCC[C@@H](CO)N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000281164068 403059590 /nfs/dbraw/zinc/05/95/90/403059590.db2.gz BPHWNAMZKRTRJK-XHDPSFHLSA-N 0 3 308.378 2.304 20 5 DEBDHN Cc1ccc(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000268247772 403066602 /nfs/dbraw/zinc/06/66/02/403066602.db2.gz PZFKWNVLYVKWKA-FZMZJTMJSA-N 0 3 303.362 2.116 20 5 DEBDHN COc1ccc(OCCN2CC[C@@H](OC)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000282228046 403134287 /nfs/dbraw/zinc/13/42/87/403134287.db2.gz FKHLUKNDWWNSKF-GXTWGEPZSA-N 0 3 324.377 2.482 20 5 DEBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000270792622 403224803 /nfs/dbraw/zinc/22/48/03/403224803.db2.gz BBRGFHZEZBGSOF-LBPRGKRZSA-N 0 3 305.378 2.397 20 5 DEBDHN Cc1ccc([C@@H](O)CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)o1 ZINC000283860349 403228618 /nfs/dbraw/zinc/22/86/18/403228618.db2.gz BNSZVDWIRUOXNA-HZMBPMFUSA-N 0 3 305.334 2.463 20 5 DEBDHN C[C@@H]1CN(CCNC(C)(C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000292119626 403297719 /nfs/dbraw/zinc/29/77/19/403297719.db2.gz KCRKPFXWOYZXMD-CYBMUJFWSA-N 0 3 307.394 2.140 20 5 DEBDHN CCOc1ccc([C@H](C)NCCCC(=O)NC)cc1[N+](=O)[O-] ZINC000271061000 403259444 /nfs/dbraw/zinc/25/94/44/403259444.db2.gz CASDZQBNGZHBCB-NSHDSACASA-N 0 3 309.366 2.170 20 5 DEBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1ccccc1[N+](=O)[O-] ZINC000271064017 403259960 /nfs/dbraw/zinc/25/99/60/403259960.db2.gz WNIWYIADNIQYAE-LBPRGKRZSA-N 0 3 305.378 2.397 20 5 DEBDHN COc1cc(N2CC[C@]3(CCN(C)C3)C2)c(F)cc1[N+](=O)[O-] ZINC000292251669 403333979 /nfs/dbraw/zinc/33/39/79/403333979.db2.gz KEBOVVZFKRZPHJ-HNNXBMFYSA-N 0 3 309.341 2.275 20 5 DEBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000285775548 403377436 /nfs/dbraw/zinc/37/74/36/403377436.db2.gz DQAUDIXWHLGLHO-ILXRZTDVSA-N 0 3 319.405 2.451 20 5 DEBDHN C[C@@H]1C[C@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCN1C ZINC000342934994 403401533 /nfs/dbraw/zinc/40/15/33/403401533.db2.gz QFOZEVVXEFGRLF-GHMZBOCLSA-N 0 3 316.361 2.289 20 5 DEBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC2CCN(C(C)C)CC2)n1 ZINC000286058340 403440879 /nfs/dbraw/zinc/44/08/79/403440879.db2.gz IFBQBBBVGGUUCP-UHFFFAOYSA-N 0 3 322.365 2.061 20 5 DEBDHN CN1CC[C@@H]2CCN(c3ncnc4sc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000286101773 403449963 /nfs/dbraw/zinc/44/99/63/403449963.db2.gz CYVJVFZOKYQNLN-KOLCDFICSA-N 0 3 319.390 2.130 20 5 DEBDHN C[C@H]1C[C@@H](N2CCCC2)CN1c1nc2sccn2c1[N+](=O)[O-] ZINC000286463245 403531546 /nfs/dbraw/zinc/53/15/46/403531546.db2.gz VDOGLFVOBHESNF-WDEREUQCSA-N 0 3 321.406 2.367 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCC[C@H]1CO ZINC000299216515 403549041 /nfs/dbraw/zinc/54/90/41/403549041.db2.gz HTOPWLWPHCTUCM-AWEZNQCLSA-N 0 3 321.377 2.079 20 5 DEBDHN O=C([C@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1)N1CCCC1 ZINC000287412470 403594437 /nfs/dbraw/zinc/59/44/37/403594437.db2.gz ONSDMJXKROAPJA-AWEZNQCLSA-N 0 3 303.362 2.039 20 5 DEBDHN C[C@@H]1[C@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCCN1C ZINC000347262626 403640843 /nfs/dbraw/zinc/64/08/43/403640843.db2.gz NCZXNFMGCUQXSK-NOZJJQNGSA-N 0 3 310.329 2.338 20 5 DEBDHN C[C@H](NC(=O)N[C@@H]1CCN(C)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000341074641 403761412 /nfs/dbraw/zinc/76/14/12/403761412.db2.gz ZEPCXIPANJMDCE-MBNYWOFBSA-N 0 3 320.393 2.438 20 5 DEBDHN CCc1nn(C)c(N[C@@H]2CCN(C3CCCC3)C2)c1[N+](=O)[O-] ZINC000368680614 403820842 /nfs/dbraw/zinc/82/08/42/403820842.db2.gz OECTVZRMVAUEBZ-LLVKDONJSA-N 0 3 307.398 2.320 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000341205970 403832655 /nfs/dbraw/zinc/83/26/55/403832655.db2.gz RYTPKGNYOBWTGS-GHMZBOCLSA-N 0 3 322.365 2.208 20 5 DEBDHN CC(C)(NC[C@@H]1CCNC(=O)CC1)c1ccccc1[N+](=O)[O-] ZINC000295222591 403802709 /nfs/dbraw/zinc/80/27/09/403802709.db2.gz RFVUQZJAMWJQFI-LBPRGKRZSA-N 0 3 305.378 2.336 20 5 DEBDHN CN(C[C@H](O)CN(Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CC1 ZINC000289284499 403894566 /nfs/dbraw/zinc/89/45/66/403894566.db2.gz AGXKSPJAFHPUGH-KRWDZBQOSA-N 0 3 319.405 2.014 20 5 DEBDHN O=C(NCCN1CCCCC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411431660 403856126 /nfs/dbraw/zinc/85/61/26/403856126.db2.gz XUVQERRUOJPFNX-JKSUJKDBSA-N 0 3 317.389 2.300 20 5 DEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](N2CCOCC2)[C@H]1C ZINC000352020187 404085934 /nfs/dbraw/zinc/08/59/34/404085934.db2.gz XPOVNKIYLGPBIF-FMKPAKJESA-N 0 3 319.405 2.451 20 5 DEBDHN CCN1CCC(N(C)C(=O)c2ccc(NC)c([N+](=O)[O-])c2)CC1 ZINC000320246271 404063201 /nfs/dbraw/zinc/06/32/01/404063201.db2.gz BPWXTAFSNQURMD-UHFFFAOYSA-N 0 3 320.393 2.193 20 5 DEBDHN C[C@H]1CCN(C)CCN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412114843 404142985 /nfs/dbraw/zinc/14/29/85/404142985.db2.gz JONSNUIXIYFULI-VBNZEHGJSA-N 0 3 317.389 2.251 20 5 DEBDHN C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCCN1C ZINC000412239025 404204604 /nfs/dbraw/zinc/20/46/04/404204604.db2.gz BDXKDAURTGSTFV-MSQAHXEGSA-N 0 3 317.389 2.297 20 5 DEBDHN COc1cc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])cc1[O-] ZINC000337786029 404239338 /nfs/dbraw/zinc/23/93/38/404239338.db2.gz BJXJMEMJUQWHOA-OLZOCXBDSA-N 0 3 321.377 2.025 20 5 DEBDHN COc1cc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)c([N+](=O)[O-])cc1[O-] ZINC000337786029 404239347 /nfs/dbraw/zinc/23/93/47/404239347.db2.gz BJXJMEMJUQWHOA-OLZOCXBDSA-N 0 3 321.377 2.025 20 5 DEBDHN C[C@H](NC(=O)NC[C@H]1CCCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000296465283 404262031 /nfs/dbraw/zinc/26/20/31/404262031.db2.gz OFVOIIXPDGHYCB-SMDDNHRTSA-N 0 3 306.366 2.049 20 5 DEBDHN Cn1cc(C[C@@H]2CCN(Cc3ccccc3[N+](=O)[O-])C2)cn1 ZINC000370006391 404300626 /nfs/dbraw/zinc/30/06/26/404300626.db2.gz CMAHYZAQYRKHLO-ZDUSSCGKSA-N 0 3 300.362 2.393 20 5 DEBDHN CC(C)(CO)[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000352365986 404318825 /nfs/dbraw/zinc/31/88/25/404318825.db2.gz ZYIRNJZBHDTHBC-HNNXBMFYSA-N 0 3 318.377 2.141 20 5 DEBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H]3COCCO3)o2)cc1 ZINC000338717640 404494925 /nfs/dbraw/zinc/49/49/25/404494925.db2.gz YTMPJJPXMBCEJN-HNNXBMFYSA-N 0 3 318.329 2.360 20 5 DEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@H]1CCCS1(=O)=O ZINC000345021472 404502036 /nfs/dbraw/zinc/50/20/36/404502036.db2.gz SBERHOKVIVPTPW-LDCOFTPGSA-N 0 3 324.402 2.165 20 5 DEBDHN O=[N+]([O-])c1ccccc1/C=C\CNC[C@H]1CCCS(=O)(=O)C1 ZINC000342192708 404432585 /nfs/dbraw/zinc/43/25/85/404432585.db2.gz BWWFUYPLRZQQPW-RBWDJNPFSA-N 0 3 324.402 2.022 20 5 DEBDHN C[C@@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CCN1C ZINC000351604099 404666758 /nfs/dbraw/zinc/66/67/58/404666758.db2.gz DCTVFHADJHFEBM-ZJUUUORDSA-N 0 3 310.329 2.338 20 5 DEBDHN O=[N+]([O-])c1ccc(CNCCC2(O)CCOCC2)c(Cl)c1 ZINC000353038280 404728595 /nfs/dbraw/zinc/72/85/95/404728595.db2.gz MCAXIVMYESJSDV-UHFFFAOYSA-N 0 3 314.769 2.269 20 5 DEBDHN CCOc1cc(N[C@@H]2CCN(CCOC)C2)ccc1[N+](=O)[O-] ZINC000356868329 404712925 /nfs/dbraw/zinc/71/29/25/404712925.db2.gz TXJLUADMHCYOLO-CYBMUJFWSA-N 0 3 309.366 2.126 20 5 DEBDHN CCN(CCCO)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000353654993 404904525 /nfs/dbraw/zinc/90/45/25/404904525.db2.gz NKZUSOYVRWSQAT-UHFFFAOYSA-N 0 3 318.377 2.200 20 5 DEBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@@H]1CN1CCCC1 ZINC000361003016 404874333 /nfs/dbraw/zinc/87/43/33/404874333.db2.gz QYSYZFVZPYFQIW-CYBMUJFWSA-N 0 3 307.398 2.184 20 5 DEBDHN C[C@H](O)C[C@H](C)NCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000361027131 404884246 /nfs/dbraw/zinc/88/42/46/404884246.db2.gz KMUXLXBDSFUMGU-IUCAKERBSA-N 0 3 304.293 2.445 20 5 DEBDHN COc1ccc(OCCN2CC[C@H](SC)C2)c([N+](=O)[O-])c1 ZINC000451321170 404954174 /nfs/dbraw/zinc/95/41/74/404954174.db2.gz NIAYBPLWJBQSIN-LBPRGKRZSA-N 0 3 312.391 2.420 20 5 DEBDHN Cc1c([C@H](C)NCCN2CCOC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000361125767 404932299 /nfs/dbraw/zinc/93/22/99/404932299.db2.gz KLEPUCXPRDKITK-JSGCOSHPSA-N 0 3 307.394 2.275 20 5 DEBDHN COC[C@]1(CO)CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000451925651 405095574 /nfs/dbraw/zinc/09/55/74/405095574.db2.gz GJIMWUFUJCYBAF-XJKSGUPXSA-N 0 3 308.378 2.295 20 5 DEBDHN C[C@@H](C(=O)NCC1(N(C)C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000416307368 405097841 /nfs/dbraw/zinc/09/78/41/405097841.db2.gz KIYKIASMEFRPDB-SNVBAGLBSA-N 0 3 309.341 2.048 20 5 DEBDHN CC1(C)CN(CCOc2ccccc2[N+](=O)[O-])[C@@H]2COC[C@@H]21 ZINC000452106405 405169959 /nfs/dbraw/zinc/16/99/59/405169959.db2.gz OBMGCUKPQAORRD-GXTWGEPZSA-N 0 3 306.362 2.330 20 5 DEBDHN O=[N+]([O-])c1ccc(CN2CC[C@H](c3nc[nH]n3)C2)c(Cl)c1 ZINC000425359432 405280014 /nfs/dbraw/zinc/28/00/14/405280014.db2.gz SKTFSJDSCHLMHH-JTQLQIEISA-N 0 3 307.741 2.356 20 5 DEBDHN CCOC(=O)c1cc(N(C)C[C@H]2CCCN2C)ccc1[N+](=O)[O-] ZINC000420643965 405366957 /nfs/dbraw/zinc/36/69/57/405366957.db2.gz YFOXORDHVVCYAA-CYBMUJFWSA-N 0 3 321.377 2.302 20 5 DEBDHN Cc1c(CNC(=O)NC(C)(C)CN(C)C)cccc1[N+](=O)[O-] ZINC000458703204 405549197 /nfs/dbraw/zinc/54/91/97/405549197.db2.gz ZMWKFZRLSHPOJD-UHFFFAOYSA-N 0 3 308.382 2.043 20 5 DEBDHN CC[C@H](NCc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H](C)O ZINC000449543272 405605907 /nfs/dbraw/zinc/60/59/07/405605907.db2.gz ODGQOSTWPJSFOS-KCJUWKMLSA-N 0 3 304.293 2.445 20 5 DEBDHN C[C@H](C(=O)N(C)C[C@@H]1CCCN1C)c1ccc([N+](=O)[O-])cc1F ZINC000421710415 405606531 /nfs/dbraw/zinc/60/65/31/405606531.db2.gz KMKAFCVKAWWJJB-AAEUAGOBSA-N 0 3 323.368 2.390 20 5 DEBDHN CNC(=O)C[C@@H](C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000449601079 405633918 /nfs/dbraw/zinc/63/39/18/405633918.db2.gz LYYRXVJDWHVIOL-LLVKDONJSA-N 0 3 317.345 2.469 20 5 DEBDHN CCOC(=O)N1CC[C@@H](NC/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000495388514 405888111 /nfs/dbraw/zinc/88/81/11/405888111.db2.gz VDBSEPDGZHVIIA-BRLPQQTGSA-N 0 3 319.361 2.428 20 5 DEBDHN Cn1cnc(CCN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)n1 ZINC000433288853 405912626 /nfs/dbraw/zinc/91/26/26/405912626.db2.gz OMQMJACTLOJBTR-AWEZNQCLSA-N 0 3 315.377 2.278 20 5 DEBDHN CCO[C@H]1C[C@@H](NCc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000459639562 405994135 /nfs/dbraw/zinc/99/41/35/405994135.db2.gz CVPHVVPMWYAQQO-TXEJJXNPSA-N 0 3 310.350 2.269 20 5 DEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCc1cccc(F)c1 ZINC000568132090 406196135 /nfs/dbraw/zinc/19/61/35/406196135.db2.gz KVGQOLFEQBMYME-AWEZNQCLSA-N 0 3 320.320 2.263 20 5 DEBDHN CN1CC[C@@H](C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000536552276 406264346 /nfs/dbraw/zinc/26/43/46/406264346.db2.gz PZLWZRDDHPGMPJ-DOMZBBRYSA-N 0 3 321.402 2.121 20 5 DEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCc2ccsc2)c1 ZINC000548945840 406568918 /nfs/dbraw/zinc/56/89/18/406568918.db2.gz HUZAQLLINUZSRL-CYBMUJFWSA-N 0 3 308.359 2.186 20 5 DEBDHN O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N1CCN2CCC[C@H]2C1 ZINC000491545401 406616497 /nfs/dbraw/zinc/61/64/97/406616497.db2.gz IOEZGVASOLVKTE-YVZNUBBCSA-N 0 3 319.336 2.054 20 5 DEBDHN CN(CCOC[C@H]1CCCO1)CCc1ccccc1[N+](=O)[O-] ZINC000551995399 406667080 /nfs/dbraw/zinc/66/70/80/406667080.db2.gz YFEHMNAMIOAEDB-OAHLLOKOSA-N 0 3 308.378 2.265 20 5 DEBDHN CCN1CCCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000491629531 406639790 /nfs/dbraw/zinc/63/97/90/406639790.db2.gz FAXTZTJQSFJLNO-FPLPWBNLSA-N 0 3 303.362 2.162 20 5 DEBDHN CCCN(CCN(C)C)C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000555310942 406841008 /nfs/dbraw/zinc/84/10/08/406841008.db2.gz AKOOXANQJGOYFF-CYBMUJFWSA-N 0 3 307.394 2.499 20 5 DEBDHN COc1ccc(CN[C@H](CO)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000131547821 196178820 /nfs/dbraw/zinc/17/88/20/196178820.db2.gz QQLSQPSFYLLVGC-HNNXBMFYSA-N 0 3 316.357 2.297 20 5 DEBDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)c1ccc(F)cc1[N+](=O)[O-])C2 ZINC000133949573 196349033 /nfs/dbraw/zinc/34/90/33/196349033.db2.gz XDBLMLVIOHZEGP-NWDGAFQWSA-N 0 3 307.325 2.043 20 5 DEBDHN Cc1ccc([C@H](C)N[C@H]2CCCN(CCCO)C2)cc1[N+](=O)[O-] ZINC000297397679 227114836 /nfs/dbraw/zinc/11/48/36/227114836.db2.gz SHNFOZLQIYTXMJ-HOCLYGCPSA-N 0 3 321.421 2.401 20 5 DEBDHN COCCN1CC[C@@H](Nc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413136090 228281449 /nfs/dbraw/zinc/28/14/49/228281449.db2.gz NJONTBSAAGWJRY-CYBMUJFWSA-N 0 3 316.361 2.276 20 5 DEBDHN N[C@H](C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)C1CCC1 ZINC000519148324 421681851 /nfs/dbraw/zinc/68/18/51/421681851.db2.gz BWHQHHIEOVASKG-AWEZNQCLSA-N 0 3 315.333 2.051 20 5 DEBDHN CC[N@H+](CC[N-]c1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)C ZINC000357233278 424815103 /nfs/dbraw/zinc/81/51/03/424815103.db2.gz KVPJBVOIEIETRV-UHFFFAOYSA-N 0 3 319.365 2.787 20 5 DEBDHN CC[N@@H+](CC[N-]c1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)C ZINC000357233278 424815104 /nfs/dbraw/zinc/81/51/04/424815104.db2.gz KVPJBVOIEIETRV-UHFFFAOYSA-N 0 3 319.365 2.787 20 5 DEBDHN C[C@H]1[C@@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)CCCN1C ZINC000343434387 424978501 /nfs/dbraw/zinc/97/85/01/424978501.db2.gz ALNFFMVSTYVQPQ-FZMZJTMJSA-N 0 3 300.362 3.038 20 5 DEBDHN CCCN1CC[C@H](Nc2ccc([N+](=O)[O-])c(OC(C)C)n2)C1 ZINC000596516248 425026497 /nfs/dbraw/zinc/02/64/97/425026497.db2.gz DDEDHUBWKVYMBV-LBPRGKRZSA-N 0 3 308.382 2.673 20 5 DEBDHN C[C@@H]1C[C@H](Nc2nc3ccccc3cc2[N+](=O)[O-])CCN1C ZINC000352358985 425045248 /nfs/dbraw/zinc/04/52/48/425045248.db2.gz AQMZDQXKRRYVNM-DGCLKSJQSA-N 0 3 300.362 3.038 20 5 DEBDHN CS[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1N(C)C ZINC000270497703 268660907 /nfs/dbraw/zinc/66/09/07/268660907.db2.gz WEGZSDYCOGQFEL-CHWSQXEVSA-N 0 3 324.406 2.104 20 5 DEBDHN C[C@@H]1CSC[C@H]1N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000507222645 269315588 /nfs/dbraw/zinc/31/55/88/269315588.db2.gz VUUCVRRFMHWIPZ-DDTOSNHZSA-N 0 3 321.402 2.041 20 5 DEBDHN CC(C)c1ccc(CNC[C@@H]2CCCC(=O)N2)cc1[N+](=O)[O-] ZINC000433206148 276053643 /nfs/dbraw/zinc/05/36/43/276053643.db2.gz HCUJJTHQDICWKU-ZDUSSCGKSA-N 0 3 305.378 2.477 20 5 DEBDHN CCN(CCNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000171249588 276125346 /nfs/dbraw/zinc/12/53/46/276125346.db2.gz BGAYQOVTTCLUIU-UHFFFAOYSA-N 0 3 320.393 2.221 20 5 DEBDHN CN1CC[C@H]2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H]2C1 ZINC000272255881 277178377 /nfs/dbraw/zinc/17/83/77/277178377.db2.gz ZEPAYNHQSOTSRY-HZMBPMFUSA-N 0 3 306.322 2.033 20 5 DEBDHN COc1cc(CN(C)C[C@@H]2CCCN2C)c([N+](=O)[O-])cc1OC ZINC000421410964 277376209 /nfs/dbraw/zinc/37/62/09/277376209.db2.gz PZCYGPUFPPNRIU-ZDUSSCGKSA-N 0 3 323.393 2.138 20 5 DEBDHN COC[C@H](CCO)N[C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417303046 277590679 /nfs/dbraw/zinc/59/06/79/277590679.db2.gz DBNWFEVDJYBLFQ-BBRMVZONSA-N 0 3 308.378 2.349 20 5 DEBDHN C[C@H](NCC1(CS(C)(=O)=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000090183656 279462675 /nfs/dbraw/zinc/46/26/75/279462675.db2.gz CQVSNULJORVPSW-NSHDSACASA-N 0 3 312.391 2.070 20 5 DEBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000288444012 297262884 /nfs/dbraw/zinc/26/28/84/297262884.db2.gz OYOOPEIATIRKNY-CHWSQXEVSA-N 0 3 303.362 2.294 20 5 DEBDHN C[C@H](C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000573744981 326088212 /nfs/dbraw/zinc/08/82/12/326088212.db2.gz WGNOWWYVCFZUKK-SGMGOOAPSA-N 0 3 317.389 2.440 20 5 DEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@@H]1C[C@H]1c1ccco1 ZINC000583989896 331517967 /nfs/dbraw/zinc/51/79/67/331517967.db2.gz VGEXEKKACKFKBH-YNEHKIRRSA-N 0 3 318.329 2.073 20 5 DEBDHN Cc1cscc1CNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000583748671 337328845 /nfs/dbraw/zinc/32/88/45/337328845.db2.gz RUPMWOLCBWTPGC-CYBMUJFWSA-N 0 3 322.386 2.494 20 5 DEBDHN COc1cc(CN[C@@H](C)CCCCO)c([N+](=O)[O-])cc1OC ZINC000294942041 533891643 /nfs/dbraw/zinc/89/16/43/533891643.db2.gz CIAOMMOBDWFBQL-NSHDSACASA-N 0 3 312.366 2.253 20 5 DEBDHN CC(C)(C(=O)NCCN1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000358085160 534332506 /nfs/dbraw/zinc/33/25/06/534332506.db2.gz ABUXRAVGMKLMLI-UHFFFAOYSA-N 0 3 323.368 2.224 20 5 DEBDHN CN(CCOc1cccc(Cl)c1)CCn1cc([N+](=O)[O-])cn1 ZINC000157473742 522913728 /nfs/dbraw/zinc/91/37/28/522913728.db2.gz UNZQUYCESXRKIC-UHFFFAOYSA-N 0 3 324.768 2.456 20 5 DEBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000246196547 524562853 /nfs/dbraw/zinc/56/28/53/524562853.db2.gz PXCMOELMYHRTEC-XJKSGUPXSA-N 0 3 319.405 2.326 20 5 DEBDHN C[C@H](N[C@@H]1CCO[C@H]1C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000365192542 525578131 /nfs/dbraw/zinc/57/81/31/525578131.db2.gz QQOZTVSWLUEGPU-VQISRLSMSA-N 0 3 319.361 2.079 20 5 DEBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N(C)CCN2CCCC2)c1 ZINC000103118912 526079851 /nfs/dbraw/zinc/07/98/51/526079851.db2.gz BKOHMCZEQKASRR-UHFFFAOYSA-N 0 3 323.418 2.485 20 5 DEBDHN CC[C@@H](C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)N(C)C ZINC000413649519 529273979 /nfs/dbraw/zinc/27/39/79/529273979.db2.gz DZKTURROIVIHTL-AWEZNQCLSA-N 0 3 305.378 2.426 20 5 DEBDHN CCN1CCN(CC(C)(C)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000449755774 535674840 /nfs/dbraw/zinc/67/48/40/535674840.db2.gz UVVLHCWFDHZWEX-UHFFFAOYSA-N 0 3 320.437 2.101 20 5 DEBDHN CN(C)CCN(Cc1ccsc1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000458201284 535870443 /nfs/dbraw/zinc/87/04/43/535870443.db2.gz LUKCZLZHSHUIPU-UHFFFAOYSA-N 0 3 322.390 2.188 20 5 DEBDHN COc1c([O-])ccc(C[NH2+]C[C@H]2CCC[C@@H]2OC)c1[N+](=O)[O-] ZINC000893287272 625391836 /nfs/dbraw/zinc/39/18/36/625391836.db2.gz YVNGMDAXSHCUTQ-MFKMUULPSA-N 0 3 310.350 2.214 20 5 DEBDHN COC(C)(C)[C@@H](C)NCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000932370925 622789485 /nfs/dbraw/zinc/78/94/85/622789485.db2.gz VNFSQMINMOKZFX-LLVKDONJSA-N 0 3 309.366 2.245 20 5 DEBDHN CCN(CCC(N)=O)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000932480738 623137823 /nfs/dbraw/zinc/13/78/23/623137823.db2.gz YTBLYMCJJNVIJS-UHFFFAOYSA-N 0 3 319.283 2.311 20 5 DEBDHN C[C@@H](NC(=O)N1CCN[C@@H](C)[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000892815707 625633638 /nfs/dbraw/zinc/63/36/38/625633638.db2.gz AYZJCTLNFYGAMY-QJPTWQEYSA-N 0 3 306.366 2.048 20 5 DEBDHN CN(C)[C@H](CNc1c([N+](=O)[O-])cnn1C)c1cccc(F)c1 ZINC000891501985 624461084 /nfs/dbraw/zinc/46/10/84/624461084.db2.gz SNMGJSJEEXYQMH-GFCCVEGCSA-N 0 3 307.329 2.182 20 5 DEBDHN CCN(CC)[C@@H](CNc1c([N+](=O)[O-])cnn1C)c1ccco1 ZINC000892076627 624772345 /nfs/dbraw/zinc/77/23/45/624772345.db2.gz ZVRZSVQAOKXVOO-NSHDSACASA-N 0 3 307.354 2.416 20 5 DEBDHN CCN1C[C@@H](C)N(Cc2ccc(O)c(OC)c2[N+](=O)[O-])C[C@H]1C ZINC000892085240 624775558 /nfs/dbraw/zinc/77/55/58/624775558.db2.gz KYKKRTGJHXZCQQ-VXGBXAGGSA-N 0 3 323.393 2.224 20 5 DEBDHN COc1c([O-])ccc(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000892145830 624795852 /nfs/dbraw/zinc/79/58/52/624795852.db2.gz SZDXZHZCEVZORA-WCQYABFASA-N 0 3 322.361 2.167 20 5 DEBDHN COc1c([O-])ccc(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000892145830 624795853 /nfs/dbraw/zinc/79/58/53/624795853.db2.gz SZDXZHZCEVZORA-WCQYABFASA-N 0 3 322.361 2.167 20 5 DEBDHN C[C@H](CNC(=O)N[C@H]1CCCN(C)C1)c1ccccc1[N+](=O)[O-] ZINC000892239032 624862527 /nfs/dbraw/zinc/86/25/27/624862527.db2.gz GMIWPXNFSMTGPB-OLZOCXBDSA-N 0 3 320.393 2.092 20 5 DEBDHN CCn1cc(C(=O)OCC(C)[N+](=O)[O-])c(-c2ccccc2)n1 ZINC000893047503 625078647 /nfs/dbraw/zinc/07/86/47/625078647.db2.gz LZLWLJAELDDCBV-NSHDSACASA-N 0 3 303.318 2.392 20 5 DEBDHN COc1c([O-])ccc(C[NH2+][C@H](C)C2CCOCC2)c1[N+](=O)[O-] ZINC000893119573 625124709 /nfs/dbraw/zinc/12/47/09/625124709.db2.gz ANKAHWVPJAQGFG-SNVBAGLBSA-N 0 3 310.350 2.214 20 5 DEBDHN O=C(C1CC1)N1CCC(CNCc2csc([N+](=O)[O-])c2)CC1 ZINC000997458168 633768941 /nfs/dbraw/zinc/76/89/41/633768941.db2.gz FYJZXAPHCDHHDO-UHFFFAOYSA-N 0 3 323.418 2.395 20 5 DEBDHN COc1c([O-])ccc(C[NH2+][C@H](C)[C@H]2CCCOC2)c1[N+](=O)[O-] ZINC000893472052 633815235 /nfs/dbraw/zinc/81/52/35/633815235.db2.gz JXVADFLAZUDZTI-PWSUYJOCSA-N 0 3 310.350 2.214 20 5 DEBDHN C[C@H](NC(=O)N[C@H]1CCN(C)[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000921807725 635350570 /nfs/dbraw/zinc/35/05/70/635350570.db2.gz SJWPECPPZDWMME-LOWVWBTDSA-N 0 3 306.366 2.048 20 5 DEBDHN CC(C)NC(=O)c1ccc(N[C@@H]2CCN(C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000895739004 638171034 /nfs/dbraw/zinc/17/10/34/638171034.db2.gz VDTOYBAKJRHGRG-WCQYABFASA-N 0 3 320.393 2.238 20 5 DEBDHN COC(=O)N1CCC[C@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000746049502 638306540 /nfs/dbraw/zinc/30/65/40/638306540.db2.gz REGBUZDEKFZVHM-AAEUAGOBSA-N 0 3 307.350 2.476 20 5 DEBDHN CCO[C@H](CNc1ccc(C(C)=O)cc1[N+](=O)[O-])CN(C)C ZINC000896114690 638360573 /nfs/dbraw/zinc/36/05/73/638360573.db2.gz CRZGVFYSBXIGID-CYBMUJFWSA-N 0 3 309.366 2.176 20 5 DEBDHN COC(=O)C[C@@H]1CCCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750050404 638707196 /nfs/dbraw/zinc/70/71/96/638707196.db2.gz AEUHSVXSOBVYBL-ZFWWWQNUSA-N 0 3 322.361 2.046 20 5 DEBDHN CN(C)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1F ZINC000754872576 639488837 /nfs/dbraw/zinc/48/88/37/639488837.db2.gz DTFREMGWVFBNTR-UHFFFAOYSA-N 0 3 306.297 2.376 20 5 DEBDHN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCCN(C)C1 ZINC000755255364 639534764 /nfs/dbraw/zinc/53/47/64/639534764.db2.gz BGSNNRFHDRFLQC-HCYCVZQXSA-N 0 3 303.362 2.209 20 5 DEBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN[C@H]1C[C@H](CO)C1 ZINC000897355618 639572945 /nfs/dbraw/zinc/57/29/45/639572945.db2.gz YWSADAHBMAXQLG-JLIMDTESSA-N 0 3 304.268 2.474 20 5 DEBDHN Cn1ncc2c1CCC[C@@H]2NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765847379 640823689 /nfs/dbraw/zinc/82/36/89/640823689.db2.gz BLPFTSGNUGQNPP-HOCLYGCPSA-N 0 3 316.361 2.029 20 5 DEBDHN Cn1cnc(CCCNCc2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC000842737669 650814527 /nfs/dbraw/zinc/81/45/27/650814527.db2.gz RFCKFPAZIFLWPQ-UHFFFAOYSA-N 0 3 309.757 2.099 20 5 DEBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC([C@@H]3CCOC3)CC2)cc1 ZINC000784343804 643127508 /nfs/dbraw/zinc/12/75/08/643127508.db2.gz PETBYTWZBRMULR-WBVHZDCISA-N 0 3 320.389 2.377 20 5 DEBDHN CN1CC[C@H](CNCC[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000905188694 643818099 /nfs/dbraw/zinc/81/80/99/643818099.db2.gz FSVWABZVYFZNFN-RISCZKNCSA-N 0 3 315.776 2.338 20 5 DEBDHN CCN1C[C@H](C)N(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1C ZINC000792873396 644162634 /nfs/dbraw/zinc/16/26/34/644162634.db2.gz SKBUCDBFJYTHLF-NEPJUHHUSA-N 0 3 322.365 2.418 20 5 DEBDHN CC(C)(C(=O)NCc1ccccc1[N+](=O)[O-])N1CCCCC1 ZINC000906238521 644180642 /nfs/dbraw/zinc/18/06/42/644180642.db2.gz COVVRJOVRZDITE-UHFFFAOYSA-N 0 3 305.378 2.476 20 5 DEBDHN Cc1cc(F)cc(C(=O)N2CCN[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000843467472 650980754 /nfs/dbraw/zinc/98/07/54/650980754.db2.gz CSGPDKISVPGIFJ-CYBMUJFWSA-N 0 3 309.341 2.112 20 5 DEBDHN C/C(=C\C(=O)N1CC(N2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000912325388 646028347 /nfs/dbraw/zinc/02/83/47/646028347.db2.gz WULJSQUVGBGDDE-JLHYYAGUSA-N 0 3 315.373 2.305 20 5 DEBDHN C/C(=C/C(=O)N1CC(N2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000912325390 646028355 /nfs/dbraw/zinc/02/83/55/646028355.db2.gz WULJSQUVGBGDDE-RAXLEYEMSA-N 0 3 315.373 2.305 20 5 DEBDHN CCc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1Cc1ccccc1 ZINC000813105500 646729706 /nfs/dbraw/zinc/72/97/06/646729706.db2.gz NHUUKXYQDUVKEY-GFCCVEGCSA-N 0 3 317.345 2.316 20 5 DEBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])c(C)n1Cc1ccccn1 ZINC000813106990 646729898 /nfs/dbraw/zinc/72/98/98/646729898.db2.gz JSSIGASRDKGLLK-GFCCVEGCSA-N 0 3 317.345 2.370 20 5 DEBDHN CC(=O)c1cccc(OCCCC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813107383 646730749 /nfs/dbraw/zinc/73/07/49/646730749.db2.gz PUSSWPJGUAXMPM-NSHDSACASA-N 0 3 309.318 2.257 20 5 DEBDHN CC(COC(=O)c1cc(Cl)c2c(c1)OCCCO2)[N+](=O)[O-] ZINC000813107802 646730766 /nfs/dbraw/zinc/73/07/66/646730766.db2.gz QMHVWJHKJPPOIM-QMMMGPOBSA-N 0 3 315.709 2.323 20 5 DEBDHN CC(COC(=O)c1cccc(Oc2cnccn2)c1)[N+](=O)[O-] ZINC000813111960 646731582 /nfs/dbraw/zinc/73/15/82/646731582.db2.gz LXBSOIMVUADVOK-JTQLQIEISA-N 0 3 303.274 2.091 20 5 DEBDHN C/C=C/c1ccc(OCC(=O)OCC(C)[N+](=O)[O-])c(OC)c1 ZINC000813113845 646732618 /nfs/dbraw/zinc/73/26/18/646732618.db2.gz JVPNAGYEKBRQIF-SGUJLRQBSA-N 0 3 309.318 2.316 20 5 DEBDHN C[Si](C)(C)CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000172664820 646746355 /nfs/dbraw/zinc/74/63/55/646746355.db2.gz JAKAJTAWEMNEFY-UHFFFAOYSA-N 0 3 321.453 2.230 20 5 DEBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCSC[C@H]2C2CC2)cc1 ZINC000831778979 649642251 /nfs/dbraw/zinc/64/22/51/649642251.db2.gz ZLTWHPCFBLLKDX-GJZGRUSLSA-N 0 3 308.403 2.456 20 5 DEBDHN CC[C@@H]1CN(CC)CCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000831970782 649664681 /nfs/dbraw/zinc/66/46/81/649664681.db2.gz FNWIJRMDDCVJIW-GDBMZVCRSA-N 0 3 307.394 2.044 20 5 DEBDHN CC([C@@H](OC(=O)Cc1cnn(C)c1)c1ccccc1F)[N+](=O)[O-] ZINC000845877518 651291732 /nfs/dbraw/zinc/29/17/32/651291732.db2.gz SHSUFYLNKYMMPD-ZUZCIYMTSA-N 0 3 321.308 2.051 20 5 DEBDHN CC[C@H](C)c1nc(C)c(CC(=O)OCC(C)[N+](=O)[O-])c(C)n1 ZINC000847713960 651412826 /nfs/dbraw/zinc/41/28/26/651412826.db2.gz GVDFCVQCXLYQDK-UWVGGRQHSA-N 0 3 309.366 2.358 20 5 DEBDHN Cn1ncc(C2CC2)c1CNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000849329290 651650765 /nfs/dbraw/zinc/65/07/65/651650765.db2.gz FHLFTQNMRDBRBE-INIZCTEOSA-N 0 3 316.361 2.029 20 5 DEBDHN CC(C)n1c(=O)[nH]c2ccc(C(=O)OCC(C)[N+](=O)[O-])cc21 ZINC000851036386 652049828 /nfs/dbraw/zinc/04/98/28/652049828.db2.gz IVYHIPBSUYNFJR-SECBINFHSA-N 0 3 307.306 2.145 20 5 DEBDHN CC(COC(=O)CCC(=O)c1c(F)cccc1F)[N+](=O)[O-] ZINC000851036345 652049920 /nfs/dbraw/zinc/04/99/20/652049920.db2.gz HQEJBFHYSWFCBA-MRVPVSSYSA-N 0 3 301.245 2.136 20 5 DEBDHN CC(COC(=O)c1c(Cl)nc2cc(Cl)ccn21)[N+](=O)[O-] ZINC000851036025 652050149 /nfs/dbraw/zinc/05/01/49/652050149.db2.gz DSCYJJPAGPVHPI-ZCFIWIBFSA-N 0 3 318.116 2.463 20 5 DEBDHN CC(C)(CCc1noc(C[C@@H]2NCc3ccccc32)n1)[N+](=O)[O-] ZINC000854158359 652649342 /nfs/dbraw/zinc/64/93/42/652649342.db2.gz TZQXEUGJNAFNRP-ZDUSSCGKSA-N 0 3 316.361 2.445 20 5 DEBDHN COC(=O)CCN(Cc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000076144894 683939983 /nfs/dbraw/zinc/93/99/83/683939983.db2.gz NNQIZCOFOXYDAM-UHFFFAOYSA-N 0 3 322.361 2.139 20 5 DEBDHN CCN(C(=O)c1cccc([N+](=O)[O-])c1OC)C1CCN(C)CC1 ZINC000861892683 686200517 /nfs/dbraw/zinc/20/05/17/686200517.db2.gz ODUXEWSWTYYAOO-UHFFFAOYSA-N 0 3 321.377 2.160 20 5 DEBDHN CN1C[C@@H]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3Cl)[C@@H]2C1 ZINC000862041133 686228157 /nfs/dbraw/zinc/22/81/57/686228157.db2.gz XNZQFQWOCZJRND-GXFFZTMASA-N 0 3 323.780 2.414 20 5 DEBDHN O=C(NC[C@@H]1CCN1C1CCCC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000863032130 686422761 /nfs/dbraw/zinc/42/27/61/686422761.db2.gz DVWBOSFWDUGNEO-ZDUSSCGKSA-N 0 3 321.352 2.481 20 5 DEBDHN CC(=O)c1ccc([N+](=O)[O-])cc1N[C@H]1CCN(CC(C)(C)O)C1 ZINC000865997313 687403710 /nfs/dbraw/zinc/40/37/10/687403710.db2.gz YUDZIMNKLDNDRK-LBPRGKRZSA-N 0 3 321.377 2.055 20 5 DEBDHN Cc1cccc(N(C)CCN2CC3(C2)CCOCC3)c1[N+](=O)[O-] ZINC000866258245 687510872 /nfs/dbraw/zinc/51/08/72/687510872.db2.gz SLKRIHDSHFXBLF-UHFFFAOYSA-N 0 3 319.405 2.452 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000930318095 694135405 /nfs/dbraw/zinc/13/54/05/694135405.db2.gz ZSPOYBQHRLIBCH-JSGCOSHPSA-N 0 3 318.377 2.379 20 5 DEBDHN Cn1c(C(=O)N2c3ccccc3[C@H](N)C2(C)C)ccc1[N+](=O)[O-] ZINC000867991449 687864741 /nfs/dbraw/zinc/86/47/41/687864741.db2.gz PHCRYTTYVSUWPF-AWEZNQCLSA-N 0 3 314.345 2.372 20 5 DEBDHN CC(COC(=O)C1(c2ccnc3ccccc32)CC1)[N+](=O)[O-] ZINC000870376218 688552135 /nfs/dbraw/zinc/55/21/35/688552135.db2.gz DGYGFGRWPPNIOA-LLVKDONJSA-N 0 3 300.314 2.475 20 5 DEBDHN COc1cc(N2CC[C@H]3[C@@H]2CCCN3C)c(F)cc1[N+](=O)[O-] ZINC000872779853 689092110 /nfs/dbraw/zinc/09/21/10/689092110.db2.gz JAYBZOPQZNEOAD-RYUDHWBXSA-N 0 3 309.341 2.415 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CCN(C)[C@H]1C ZINC000930861750 694257946 /nfs/dbraw/zinc/25/79/46/694257946.db2.gz GCFQLTBDBYSDRV-RYUDHWBXSA-N 0 3 306.366 2.426 20 5 DEBDHN Cc1c(CNC[C@@H]2CN(CC(C)C)CCO2)cccc1[N+](=O)[O-] ZINC000873009205 689139926 /nfs/dbraw/zinc/13/99/26/689139926.db2.gz ZATMTGFENJDOCW-MRXNPFEDSA-N 0 3 321.421 2.350 20 5 DEBDHN Cc1cc(C(=O)N2CC[C@@H]3[C@@H]2CCCN3C)ccc1[N+](=O)[O-] ZINC000874849594 689517935 /nfs/dbraw/zinc/51/79/35/689517935.db2.gz KGNXVPYRBCBKOD-CABCVRRESA-N 0 3 303.362 2.212 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@]2(CC2(F)F)C1 ZINC000878811279 690505183 /nfs/dbraw/zinc/50/51/83/690505183.db2.gz JMYKALRWRDCPFK-LBPRGKRZSA-N 0 3 300.309 2.221 20 5 DEBDHN Cc1ccc(CN2CCC(N3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000878967130 690539264 /nfs/dbraw/zinc/53/92/64/690539264.db2.gz DPEARZVQXCRRIA-UHFFFAOYSA-N 0 3 319.405 2.200 20 5 DEBDHN C[C@@](CO)(NC[C@@H]1CCC2(CCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000879273369 690607961 /nfs/dbraw/zinc/60/79/61/690607961.db2.gz UMHGTNFAQOKWIP-HOTGVXAUSA-N 0 3 320.389 2.494 20 5 DEBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC(F)CC1 ZINC000880241622 690848981 /nfs/dbraw/zinc/84/89/81/690848981.db2.gz YUHINLNZOVUDLC-UHFFFAOYSA-N 0 3 323.324 2.327 20 5 DEBDHN C[C@@H](NCC[C@H]1CCCS1(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000883305208 691477553 /nfs/dbraw/zinc/47/75/53/691477553.db2.gz REKYBWILMQOPMM-BXUZGUMPSA-N 0 3 312.391 2.213 20 5 DEBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCC[C@H]1CCCS1(=O)=O ZINC000883309949 691479732 /nfs/dbraw/zinc/47/97/32/691479732.db2.gz XNWLKJNTKNAERC-BXUZGUMPSA-N 0 3 324.402 2.139 20 5 DEBDHN COC[C@@H](NCc1csc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000886359496 692065897 /nfs/dbraw/zinc/06/58/97/692065897.db2.gz DDCUKZNQRBXHFC-VXGBXAGGSA-N 0 3 300.380 2.188 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H](CO)C[C@@H]1CCCO1 ZINC000886671820 692155476 /nfs/dbraw/zinc/15/54/76/692155476.db2.gz DLOVDXWBCJZSJV-OBJOEFQTSA-N 0 3 324.377 2.184 20 5 DEBDHN CCOc1cc(NC(=O)N[C@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000888836139 692611413 /nfs/dbraw/zinc/61/14/13/692611413.db2.gz NFRVZXJOABFRCZ-LBPRGKRZSA-N 0 3 322.365 2.209 20 5 DEBDHN COc1c(O)ccc(CNC[C@@H](CC(C)C)OC)c1[N+](=O)[O-] ZINC000894947258 692992230 /nfs/dbraw/zinc/99/22/30/692992230.db2.gz DQGDERGCBBKZBD-GFCCVEGCSA-N 0 3 312.366 2.460 20 5 DEBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@H](Cc3nccs3)C2)c1 ZINC000932201203 694573348 /nfs/dbraw/zinc/57/33/48/694573348.db2.gz SXNDUTAZMGXPLV-GFCCVEGCSA-N 0 3 321.406 2.203 20 5 DEBDHN CCN(C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C)C1 ZINC000925245540 693246616 /nfs/dbraw/zinc/24/66/16/693246616.db2.gz FVXOZALLEMFEDQ-IUODEOHRSA-N 0 3 320.393 2.391 20 5 DEBDHN CCOC(=O)[C@H]1CCC[C@@H]1Nc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001170957837 790318273 /nfs/dbraw/zinc/31/82/73/790318273.db2.gz BNARYRXHJWUPDB-STQMWFEESA-N 0 3 319.361 2.342 20 5 DEBDHN C[C@H]1COC[C@@H]1NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000699859726 782971323 /nfs/dbraw/zinc/97/13/23/782971323.db2.gz CMXQVBPXEVEETO-KWQFWETISA-N 0 3 315.167 2.482 20 5 DEBDHN C[C@H]1CN(CCNCc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC001333711732 1150082057 /nfs/dbraw/zinc/08/20/57/1150082057.db2.gz UDVJNYHXDLLXHH-NSHDSACASA-N 0 3 313.785 2.059 20 5 DEBDHN COc1ccccc1N1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169006267 785000060 /nfs/dbraw/zinc/00/00/60/785000060.db2.gz GMCPPUHKEKIEOS-HUUCEWRRSA-N 0 3 319.405 2.263 20 5 DEBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCN(c3ccc(Cl)cn3)CC2)C1 ZINC001169039655 785013253 /nfs/dbraw/zinc/01/32/53/785013253.db2.gz RWSWIWNQHKRGAE-OCCSQVGLSA-N 0 3 324.812 2.302 20 5 DEBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCN(Cc3cccc(F)c3)CC2)C1 ZINC001169023876 785018869 /nfs/dbraw/zinc/01/88/69/785018869.db2.gz GBGLLAAEOBRVJS-WBVHZDCISA-N 0 3 321.396 2.389 20 5 DEBDHN COC(=O)c1ccc2c(c1)CN([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169046873 785020127 /nfs/dbraw/zinc/02/01/27/785020127.db2.gz OBOCITXRFKBNGT-ABAIWWIYSA-N 0 3 304.346 2.234 20 5 DEBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2CCOC[C@H]2Cc2ccccc2)C1 ZINC001169050404 785021687 /nfs/dbraw/zinc/02/16/87/785021687.db2.gz ZIJKYKCMARNDHW-GVDBMIGSSA-N 0 3 304.390 2.375 20 5 DEBDHN COc1ccc(C[C@@H](C)N2C[C@H](O)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC001170328770 786910860 /nfs/dbraw/zinc/91/08/60/786910860.db2.gz MGFIBAQPJNHVAX-YRGRVCCFSA-N 0 3 308.378 2.380 20 5 DEBDHN COc1ccc(C[C@@H](C)N2CC[C@@H](C)[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC001170335995 786913744 /nfs/dbraw/zinc/91/37/44/786913744.db2.gz SVZNQVSGYNZHHG-HSMVNMDESA-N 0 3 308.378 2.237 20 5 DEBDHN Cc1ccc2c(ccnc2N[C@H](C)[C@H]2CNCCO2)c1[N+](=O)[O-] ZINC001170561179 787623813 /nfs/dbraw/zinc/62/38/13/787623813.db2.gz CNIDARYOHJMPDV-BXUZGUMPSA-N 0 3 316.361 2.240 20 5 DEBDHN Cc1cc([N+](=O)[O-])c(OC(C)C)cc1N[C@@H](C)[C@H]1CNCCO1 ZINC001170576611 787677905 /nfs/dbraw/zinc/67/79/05/787677905.db2.gz VVSJWEULHHFHLB-BLLLJJGKSA-N 0 3 323.393 2.479 20 5 DEBDHN Cc1cc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)c(C)[nH]1 ZINC001134423577 788914974 /nfs/dbraw/zinc/91/49/74/788914974.db2.gz MDKFIJNDIXEBMI-UHFFFAOYSA-N 0 3 316.361 2.059 20 5 DEBDHN Cc1cc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)cs1 ZINC001135320752 789282042 /nfs/dbraw/zinc/28/20/42/789282042.db2.gz GBGKPFBNXYYGES-UHFFFAOYSA-N 0 3 319.386 2.484 20 5 DEBDHN COc1nccc(CN[C@H](C)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001173233478 793646165 /nfs/dbraw/zinc/64/61/65/793646165.db2.gz JFQZFNDJDPAZOJ-LLVKDONJSA-N 0 3 302.334 2.114 20 5 DEBDHN C[C@@H]1CCCN(C(=O)CCNCc2cccc([N+](=O)[O-])c2)C1 ZINC001177764533 794744193 /nfs/dbraw/zinc/74/41/93/794744193.db2.gz FFBJXJYURFBRKE-CYBMUJFWSA-N 0 3 305.378 2.333 20 5 DEBDHN O=C(Cc1ccsc1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001122946303 795824388 /nfs/dbraw/zinc/82/43/88/795824388.db2.gz NBQBRONONZQPHU-UHFFFAOYSA-N 0 3 319.386 2.105 20 5 DEBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1cc(Cl)c[nH]1 ZINC001123466510 795917494 /nfs/dbraw/zinc/91/74/94/795917494.db2.gz FKMJRZFCJFABTP-UHFFFAOYSA-N 0 3 322.752 2.096 20 5 DEBDHN Cc1ccc(-c2ccc(-n3cnc(CN)c3)nn2)cc1[N+](=O)[O-] ZINC001154910085 797637124 /nfs/dbraw/zinc/63/71/24/797637124.db2.gz VXNCNWXDHHXLLN-UHFFFAOYSA-N 0 3 310.317 2.005 20 5 DEBDHN CCc1cc(-n2cnc(CN)c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001154910366 797637989 /nfs/dbraw/zinc/63/79/89/797637989.db2.gz HLXLRPDKURHLAS-UHFFFAOYSA-N 0 3 324.344 2.259 20 5 DEBDHN Cc1cc(CN)nn1-c1ccc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC001156042422 797911939 /nfs/dbraw/zinc/91/19/39/797911939.db2.gz KFAZDGPDNUYIGV-UHFFFAOYSA-N 0 3 310.317 2.005 20 5 DEBDHN C[C@H](N)c1ccn(-c2ccc(-c3ccccc3[N+](=O)[O-])nn2)n1 ZINC001158355469 798390460 /nfs/dbraw/zinc/39/04/60/798390460.db2.gz IWLJAFPMRHUPDB-JTQLQIEISA-N 0 3 310.317 2.257 20 5 DEBDHN O=[N+]([O-])c1cc(Cl)c(Cl)nc1-n1cnc2c1CNCC2 ZINC001164313770 799568553 /nfs/dbraw/zinc/56/85/53/799568553.db2.gz RTQZSTQIQLINDZ-UHFFFAOYSA-N 0 3 314.132 2.128 20 5 DEBDHN Cc1cc(-n2cnc3c2CNCC3)nc2ccc([N+](=O)[O-])cc12 ZINC001164313999 799568687 /nfs/dbraw/zinc/56/86/87/799568687.db2.gz YOKPJXZCHYHARK-UHFFFAOYSA-N 0 3 309.329 2.283 20 5 DEBDHN CN(C)C1(C)CN(c2ccc(-c3ccccc3[N+](=O)[O-])nn2)C1 ZINC001165121822 799655945 /nfs/dbraw/zinc/65/59/45/799655945.db2.gz YLDFZPCYKQXCMJ-UHFFFAOYSA-N 0 3 313.361 2.192 20 5 DEBDHN CC(C)C[C@H]1CN(C)CCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000933251947 800052318 /nfs/dbraw/zinc/05/23/18/800052318.db2.gz NCMRKURXGCVADH-DLBZAZTESA-N 0 3 321.421 2.290 20 5 DEBDHN CC(C)=CC(=O)NCCCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC001233510499 802138277 /nfs/dbraw/zinc/13/82/77/802138277.db2.gz KELDPZQVGSIEJE-UHFFFAOYSA-N 0 3 305.378 2.499 20 5 DEBDHN COCCN1CCC(Oc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC001225615836 802990254 /nfs/dbraw/zinc/99/02/54/802990254.db2.gz LIVHZTCEISYKGB-UHFFFAOYSA-N 0 3 310.350 2.093 20 5 DEBDHN CN1CCC[C@H](Oc2c3ccccc3oc(=O)c2[N+](=O)[O-])C1 ZINC001228802053 803415953 /nfs/dbraw/zinc/41/59/53/803415953.db2.gz DIEICKXKFKVEJT-JTQLQIEISA-N 0 3 304.302 2.174 20 5 DEBDHN CC([C@H](OC(=O)[C@H]1[C@@H]2C(=O)CC[C@H]12)c1ccccc1F)[N+](=O)[O-] ZINC001345232644 1150875028 /nfs/dbraw/zinc/87/50/28/1150875028.db2.gz HPDVDHXHAKIAOP-MOLYSANOSA-N 0 3 321.304 2.300 20 5 DEBDHN Cc1nc(N2CCN(C)C3(CCCCC3)C2)ncc1[N+](=O)[O-] ZINC001328568913 1148811378 /nfs/dbraw/zinc/81/13/78/1148811378.db2.gz YFMPLRYMBKVLIF-UHFFFAOYSA-N 0 3 305.382 2.148 20 5 DEBDHN CC[C@@H]([NH2+]Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CC1 ZINC001604062747 1070194845 /nfs/dbraw/zinc/19/48/45/1070194845.db2.gz UQNMEOCBIHBQMI-GFCCVEGCSA-N 0 3 302.338 2.053 20 5 DEBDHN CC[C@@H]([NH2+]Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1CC1 ZINC001604062747 1070194851 /nfs/dbraw/zinc/19/48/51/1070194851.db2.gz UQNMEOCBIHBQMI-GFCCVEGCSA-N 0 3 302.338 2.053 20 5 DEBDHN Cc1c(C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)cc(CN)n1C ZINC001579635594 1067391877 /nfs/dbraw/zinc/39/18/77/1067391877.db2.gz XRAOPXMHZWZFSS-UHFFFAOYSA-N 0 3 302.334 2.261 20 5 DEBDHN Cc1nc(NC(=O)c2cccc3c2CCNC3)ccc1[N+](=O)[O-] ZINC001579865226 1067441452 /nfs/dbraw/zinc/44/14/52/1067441452.db2.gz MVGDJEFSZSMMPQ-UHFFFAOYSA-N 0 3 312.329 2.196 20 5 DEBDHN Cc1ccc(CNC(=O)[C@@H](N)Cc2ccccc2)cc1[N+](=O)[O-] ZINC001574154561 1069166940 /nfs/dbraw/zinc/16/69/40/1069166940.db2.gz OCZJIORSBUWVJH-HNNXBMFYSA-N 0 3 313.357 2.089 20 5 DEBDHN NCc1cccnc1NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC001580346940 1075908421 /nfs/dbraw/zinc/90/84/21/1075908421.db2.gz BOIVGRHFALCWRD-UHFFFAOYSA-N 0 3 318.358 2.179 20 5 DEBDHN C[C@@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@H](C)C1 ZINC001591735511 1076781394 /nfs/dbraw/zinc/78/13/94/1076781394.db2.gz RRTCJLCKKPBPTJ-GHMZBOCLSA-N 0 3 316.365 2.395 20 5 DEBDHN C[C@@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@H](C)C1 ZINC001591735511 1076781395 /nfs/dbraw/zinc/78/13/95/1076781395.db2.gz RRTCJLCKKPBPTJ-GHMZBOCLSA-N 0 3 316.365 2.395 20 5 DEBDHN CC(C)[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])CC1CC1 ZINC001609099212 1077761142 /nfs/dbraw/zinc/76/11/42/1077761142.db2.gz NPAULUWLSZRWSA-UHFFFAOYSA-N 0 3 316.365 2.395 20 5 DEBDHN CC(C)[N@H+](Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])CC1CC1 ZINC001609099212 1077761146 /nfs/dbraw/zinc/76/11/46/1077761146.db2.gz NPAULUWLSZRWSA-UHFFFAOYSA-N 0 3 316.365 2.395 20 5 DEBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC001609602658 1077882512 /nfs/dbraw/zinc/88/25/12/1077882512.db2.gz BPDFRJLOESWBSD-CDMKHQONSA-N 0 3 314.349 2.053 20 5 DEBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC001609602658 1077882514 /nfs/dbraw/zinc/88/25/14/1077882514.db2.gz BPDFRJLOESWBSD-CDMKHQONSA-N 0 3 314.349 2.053 20 5 DEBDHN C[C@H](CCO)CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC001656604363 1080106675 /nfs/dbraw/zinc/10/66/75/1080106675.db2.gz FXJOGCMBEFOPML-SECBINFHSA-N 0 3 304.293 2.304 20 5 DEBDHN COc1cc(CNC[C@@H](O)CC(C)(C)C)c([N+](=O)[O-])cc1O ZINC001661445040 1080481708 /nfs/dbraw/zinc/48/17/08/1080481708.db2.gz HJWDXFUDNQVXOB-NSHDSACASA-N 0 3 312.366 2.196 20 5 DEBDHN CC(C)C(=O)NCC1(NCc2cccc([N+](=O)[O-])c2)CCC1 ZINC001273048155 1086079706 /nfs/dbraw/zinc/07/97/06/1086079706.db2.gz NSXFHYMSCWGKEI-UHFFFAOYSA-N 0 3 305.378 2.379 20 5 DEBDHN O=C(NCCCN(Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CC1 ZINC001490362468 1093355605 /nfs/dbraw/zinc/35/56/05/1093355605.db2.gz VMTQVZYGGVPSOK-UHFFFAOYSA-N 0 3 317.389 2.476 20 5 DEBDHN CN(C)[C@H](CNc1cc(N)c([N+](=O)[O-])cn1)c1cccs1 ZINC001336960334 1142642790 /nfs/dbraw/zinc/64/27/90/1142642790.db2.gz XSLXDRLYCMLQGR-LLVKDONJSA-N 0 3 307.379 2.348 20 5 DEBDHN CN(C)[C@@H](CNc1cc(N)c([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC001337789212 1142801860 /nfs/dbraw/zinc/80/18/60/1142801860.db2.gz CGCQAEDOECMMAU-ZDUSSCGKSA-N 0 3 319.340 2.426 20 5 DEBDHN O=[N+]([O-])c1ccc(N2CCC(N3C[C@H]4CC[C@@H](C3)O4)CC2)cc1 ZINC001254474070 1143130596 /nfs/dbraw/zinc/13/05/96/1143130596.db2.gz KUROAJRNKDSYOB-CALCHBBNSA-N 0 3 317.389 2.427 20 5 DEBDHN COC(=O)[C@@H]1CN([C@H](C)Cc2ccccc2[N+](=O)[O-])CC12CC2 ZINC001254571363 1143256439 /nfs/dbraw/zinc/25/64/39/1143256439.db2.gz SYSIHYPRNBETMR-OCCSQVGLSA-N 0 3 318.373 2.411 20 5 DEBDHN CN(CCCNC(=O)c1cc[nH]c1)Cc1cccc([N+](=O)[O-])c1 ZINC001265854191 1144747859 /nfs/dbraw/zinc/74/78/59/1144747859.db2.gz OGTZTHFDPZOSIU-UHFFFAOYSA-N 0 3 316.361 2.175 20 5 DEBDHN O=[N+]([O-])c1cc(Cl)ccc1CNC[C@@]1(O)CCSC1 ZINC000702313474 1144764960 /nfs/dbraw/zinc/76/49/60/1144764960.db2.gz FVFLMDXFYXYFCP-LBPRGKRZSA-N 0 3 302.783 2.206 20 5 DEBDHN C[C@H](C(=O)N[C@H]1CN(C)CC1(C)C)c1ccc([N+](=O)[O-])cc1F ZINC001303988582 1147341161 /nfs/dbraw/zinc/34/11/61/1147341161.db2.gz IUIVONNRIWJWLH-HZMBPMFUSA-N 0 3 323.368 2.294 20 5 DEBDHN Cc1c(CN2CCC[C@@H](c3nnc(N)o3)C2)cccc1[N+](=O)[O-] ZINC001307969954 1147440135 /nfs/dbraw/zinc/44/01/35/1147440135.db2.gz QTBPGOQAFJISCB-GFCCVEGCSA-N 0 3 317.349 2.248 20 5 DEBDHN Cc1cncc([N+](=O)[O-])c1NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC001326089803 1148039587 /nfs/dbraw/zinc/03/95/87/1148039587.db2.gz GWSXFRNTXVWRKW-OKILXGFUSA-N 0 3 322.409 2.021 20 5 DEBDHN O=C(CN[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)NCC1CC1 ZINC000181286058 199275757 /nfs/dbraw/zinc/27/57/57/199275757.db2.gz HDYMCUCTPZSURN-HNNXBMFYSA-N 0 3 317.389 2.032 20 5 DEBDHN C[C@H](O)CCCNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000278745663 214370601 /nfs/dbraw/zinc/37/06/01/214370601.db2.gz VVQUDCWVSQYDPQ-VIFPVBQESA-N 0 3 304.293 2.447 20 5 DEBDHN Cc1ccc([C@@H](C)NCCn2ccc([N+](=O)[O-])n2)cc1[N+](=O)[O-] ZINC000181809301 199355627 /nfs/dbraw/zinc/35/56/27/199355627.db2.gz OXTNVXMIBLXSOV-LLVKDONJSA-N 0 3 319.321 2.359 20 5 DEBDHN COC(=O)c1ccc(OCCN2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000154219040 539549692 /nfs/dbraw/zinc/54/96/92/539549692.db2.gz KFFYUVVDNRCJEY-UHFFFAOYSA-N 0 3 322.361 2.492 20 5 DEBDHN C[C@H](O)C[C@H]1CCCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000279715514 215085276 /nfs/dbraw/zinc/08/52/76/215085276.db2.gz IKABFJWPMUDEKZ-BJJXKVORSA-N 0 3 308.378 2.254 20 5 DEBDHN CCN1CCC[C@@H]1CN(C)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000150727374 186060906 /nfs/dbraw/zinc/06/09/06/186060906.db2.gz YDFRIVGUERNCES-GFCCVEGCSA-N 0 3 309.341 2.290 20 5 DEBDHN CN(C)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000152751975 186099041 /nfs/dbraw/zinc/09/90/41/186099041.db2.gz SHIRBCABWFYTDU-LLVKDONJSA-N 0 3 311.769 2.414 20 5 DEBDHN Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000008337264 354012070 /nfs/dbraw/zinc/01/20/70/354012070.db2.gz UDVOELJYAUPRAJ-CYBMUJFWSA-N 0 3 301.350 2.015 20 5 DEBDHN COC1CCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000041897028 354180921 /nfs/dbraw/zinc/18/09/21/354180921.db2.gz HVLGFFBSMTZLND-UHFFFAOYSA-N 0 3 321.377 2.343 20 5 DEBDHN CN(C)CCN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000051872281 354389829 /nfs/dbraw/zinc/38/98/29/354389829.db2.gz TYJWWNVPQBZNBW-UHFFFAOYSA-N 0 3 316.361 2.127 20 5 DEBDHN Cc1nn(C)c(NC[C@H](c2ccc(F)cc2)N(C)C)c1[N+](=O)[O-] ZINC000052486119 354403662 /nfs/dbraw/zinc/40/36/62/354403662.db2.gz WGIXBSJLJDCCIB-CYBMUJFWSA-N 0 3 321.356 2.491 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCC[C@@H](C)C1 ZINC000067164648 354750313 /nfs/dbraw/zinc/75/03/13/354750313.db2.gz QLEVHKKSLNLCRQ-GFCCVEGCSA-N 0 3 305.378 2.365 20 5 DEBDHN C[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000067272112 354754836 /nfs/dbraw/zinc/75/48/36/354754836.db2.gz RCJXJLCDAHCIJL-ZDUSSCGKSA-N 0 3 305.378 2.445 20 5 DEBDHN CC(C)[C@H](O)CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236817585 202023440 /nfs/dbraw/zinc/02/34/40/202023440.db2.gz VDAIMMJFVBNACP-OAHLLOKOSA-N 0 3 318.377 2.102 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000080640991 355377421 /nfs/dbraw/zinc/37/74/21/355377421.db2.gz JWCSYSCGPGVCDC-INIZCTEOSA-N 0 3 318.421 2.119 20 5 DEBDHN C[C@H](CCN1CCOCC1)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000090048078 355553473 /nfs/dbraw/zinc/55/34/73/355553473.db2.gz VODXKGIQJBNQJA-KGLIPLIRSA-N 0 3 307.394 2.356 20 5 DEBDHN Cc1ccc([C@@H](C)NC[C@@H](O)C2CCOCC2)cc1[N+](=O)[O-] ZINC000090053904 355553496 /nfs/dbraw/zinc/55/34/96/355553496.db2.gz VNJFZVVTCDRWRB-MLGOLLRUSA-N 0 3 308.378 2.341 20 5 DEBDHN Cc1c([C@H](C)NCC2(CO)CCOCC2)cccc1[N+](=O)[O-] ZINC000090661188 355565609 /nfs/dbraw/zinc/56/56/09/355565609.db2.gz SWHAFBSLMCQMFB-ZDUSSCGKSA-N 0 3 308.378 2.343 20 5 DEBDHN CCc1nn(C)c(NC[C@@H](C)N2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000094136096 355694685 /nfs/dbraw/zinc/69/46/85/355694685.db2.gz UOKPXAHTOLUSIM-NWDGAFQWSA-N 0 3 309.414 2.423 20 5 DEBDHN Cc1cc(C(=O)N[C@H]2CCN(CC3CC3)C2)cc([N+](=O)[O-])c1 ZINC000108302907 355732889 /nfs/dbraw/zinc/73/28/89/355732889.db2.gz TXRJDHOXUURVPC-AWEZNQCLSA-N 0 3 303.362 2.117 20 5 DEBDHN CC(=O)N1CC[C@@H](NCc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000152946542 355935502 /nfs/dbraw/zinc/93/55/02/355935502.db2.gz QWORASJFRCKHIN-CQSZACIVSA-N 0 3 305.378 2.429 20 5 DEBDHN C[C@@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C1CCC1 ZINC000157621753 355955392 /nfs/dbraw/zinc/95/53/92/355955392.db2.gz JLGVCQGNEQDHRF-ABAIWWIYSA-N 0 3 303.362 2.478 20 5 DEBDHN C[C@@H](NC[C@@H](O)COCc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000180452082 356051559 /nfs/dbraw/zinc/05/15/59/356051559.db2.gz ADOXWUJDXCLJMY-IUODEOHRSA-N 0 3 320.345 2.416 20 5 DEBDHN CC[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCCO1 ZINC000182279787 356119001 /nfs/dbraw/zinc/11/90/01/356119001.db2.gz GDHPDBIIBMOBAE-ZFWWWQNUSA-N 0 3 321.377 2.389 20 5 DEBDHN CC[C@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000182298751 356120464 /nfs/dbraw/zinc/12/04/64/356120464.db2.gz ZACXCGFNOKGOQR-CQDKDKBSSA-N 0 3 321.377 2.469 20 5 DEBDHN O=C(NCc1cccc([N+](=O)[O-])c1)C1CCN(C2CC2)CC1 ZINC000195388642 356253661 /nfs/dbraw/zinc/25/36/61/356253661.db2.gz CRVWKXJMXIDMKC-UHFFFAOYSA-N 0 3 303.362 2.085 20 5 DEBDHN Cc1cc(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)ncn1 ZINC000618572266 363531014 /nfs/dbraw/zinc/53/10/14/363531014.db2.gz DRMGBKYVOURNOZ-KBPBESRZSA-N 0 3 316.365 2.163 20 5 DEBDHN O=C(c1csc([N+](=O)[O-])c1)N1CCNC2(CCCCC2)C1 ZINC000400806784 356725650 /nfs/dbraw/zinc/72/56/50/356725650.db2.gz RGCKPRFQKVCXMR-UHFFFAOYSA-N 0 3 309.391 2.405 20 5 DEBDHN COc1ccc(OCCN2CC[C@@H]3OCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000579709284 357018795 /nfs/dbraw/zinc/01/87/95/357018795.db2.gz QSHSTBTYWJMHEJ-DOMZBBRYSA-N 0 3 322.361 2.093 20 5 DEBDHN C[C@@H](O)[C@@H](CO)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000581300754 357163850 /nfs/dbraw/zinc/16/38/50/357163850.db2.gz YVFMLIYGINKPGX-QMTHXVAHSA-N 0 3 322.386 2.155 20 5 DEBDHN C[C@@H]1COCC[C@@H]1CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000586782447 357369496 /nfs/dbraw/zinc/36/94/96/357369496.db2.gz NYSRUJDHAZTEPJ-VXGBXAGGSA-N 0 3 322.361 2.128 20 5 DEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[C@H](CC(N)=O)C1 ZINC000589209782 357455242 /nfs/dbraw/zinc/45/52/42/357455242.db2.gz SWASMQBQRNQDIM-WEKMIXOTSA-N 0 3 303.362 2.195 20 5 DEBDHN COC(=O)c1ccnc(NCCN2CCCCCC2)c1[N+](=O)[O-] ZINC000590572551 357559735 /nfs/dbraw/zinc/55/97/35/357559735.db2.gz LIQHODWXDZRSSF-UHFFFAOYSA-N 0 3 322.365 2.064 20 5 DEBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)c1 ZINC000590776643 357609643 /nfs/dbraw/zinc/60/96/43/357609643.db2.gz KJTAUFQPDFSLJA-IINYFYTJSA-N 0 3 321.402 2.093 20 5 DEBDHN CC1(C)CN[C@@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000591669293 357750124 /nfs/dbraw/zinc/75/01/24/357750124.db2.gz OGTHJYHRNYNUOB-CQSZACIVSA-N 0 3 305.378 2.032 20 5 DEBDHN Cc1nccn1CCCN(C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000179499762 199046698 /nfs/dbraw/zinc/04/66/98/199046698.db2.gz PDUVAELMCDYUHI-INIZCTEOSA-N 0 3 318.377 2.155 20 5 DEBDHN CCCN(C(=O)c1ccc(NC)c([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000592833288 357953944 /nfs/dbraw/zinc/95/39/44/357953944.db2.gz YEDXFLQNJCDJMV-CYBMUJFWSA-N 0 3 320.393 2.193 20 5 DEBDHN O=C(CNC1(C2CCC2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000593081792 358003848 /nfs/dbraw/zinc/00/38/48/358003848.db2.gz RLLKHRIVQGOKFK-UHFFFAOYSA-N 0 3 315.373 2.406 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCC[C@@]1(O)CCCOC1)CCC2 ZINC000593720946 358130714 /nfs/dbraw/zinc/13/07/14/358130714.db2.gz NHSWYEMNXKADBO-IRXDYDNUSA-N 0 3 320.389 2.493 20 5 DEBDHN CCO[C@@H]1COCC[C@H]1N[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595033721 358381150 /nfs/dbraw/zinc/38/11/50/358381150.db2.gz SOFCYEWLJMLDKA-DJSGYFEHSA-N 0 3 324.377 2.448 20 5 DEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000595744983 358538482 /nfs/dbraw/zinc/53/84/82/358538482.db2.gz XJPCPWVWZJWBLB-BZPMIXESSA-N 0 3 303.362 2.256 20 5 DEBDHN COc1cc(C[NH2+]CC2(O)CCC(C)CC2)c([N+](=O)[O-])cc1[O-] ZINC000596058248 358600425 /nfs/dbraw/zinc/60/04/25/358600425.db2.gz GHSPMKBMWYVKOC-UHFFFAOYSA-N 0 3 324.377 2.340 20 5 DEBDHN COc1cc(NCCN2CCC(OC)CC2)c([N+](=O)[O-])cc1C ZINC000596159940 358625817 /nfs/dbraw/zinc/62/58/17/358625817.db2.gz SPJAZKTVINFFKZ-UHFFFAOYSA-N 0 3 323.393 2.435 20 5 DEBDHN CC(C)(C)N1CC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000597925937 359044457 /nfs/dbraw/zinc/04/44/57/359044457.db2.gz YROXDMRVCDAAMF-LBPRGKRZSA-N 0 3 309.341 2.337 20 5 DEBDHN CN1CC[C@]2(C1)CCCN(C(=O)c1csc([N+](=O)[O-])c1)C2 ZINC000597714809 358986129 /nfs/dbraw/zinc/98/61/29/358986129.db2.gz JTNGYXBYURVPKG-AWEZNQCLSA-N 0 3 309.391 2.214 20 5 DEBDHN CC(C)[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCN1 ZINC000598576728 359247094 /nfs/dbraw/zinc/24/70/94/359247094.db2.gz YZSZTMQFHVZEDW-ARFHVFGLSA-N 0 3 317.389 2.155 20 5 DEBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3CCOC[C@H]3O)o2)cc1 ZINC000599010588 359381954 /nfs/dbraw/zinc/38/19/54/359381954.db2.gz BJYFEPVBNLAPLK-HUUCEWRRSA-N 0 3 318.329 2.094 20 5 DEBDHN Cc1ccc(CN2CC[C@H](Nc3ncc([N+](=O)[O-])cn3)C2)cc1 ZINC000601249654 359981071 /nfs/dbraw/zinc/98/10/71/359981071.db2.gz DMFOROSCVGVAHI-AWEZNQCLSA-N 0 3 313.361 2.380 20 5 DEBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601576302 360076934 /nfs/dbraw/zinc/07/69/34/360076934.db2.gz VEGHIRPZGCQEJB-RYUDHWBXSA-N 0 3 321.352 2.433 20 5 DEBDHN CN1CCC[C@]2(CCN(C(=O)c3c(F)cccc3[N+](=O)[O-])C2)C1 ZINC000601602034 360084142 /nfs/dbraw/zinc/08/41/42/360084142.db2.gz FZABPIJDIIQCIM-INIZCTEOSA-N 0 3 321.352 2.292 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)C[C@H]1CCCC(=O)N1 ZINC000602548305 360427441 /nfs/dbraw/zinc/42/74/41/360427441.db2.gz DTKCBJHTCSZKRV-WCQYABFASA-N 0 3 321.377 2.140 20 5 DEBDHN C[C@H]1OCC[C@@H]1CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000602762047 360540458 /nfs/dbraw/zinc/54/04/58/360540458.db2.gz FOXQGXTWBPMZQC-ZIAGYGMSSA-N 0 3 305.378 2.142 20 5 DEBDHN CC(C)(C)[C@H](N)c1cn(CCc2ccc([N+](=O)[O-])cc2)nn1 ZINC000603193676 360741243 /nfs/dbraw/zinc/74/12/43/360741243.db2.gz BCVCDXNHWGLOPZ-CQSZACIVSA-N 0 3 303.366 2.475 20 5 DEBDHN CN(CCCC[NH+]1CCCCC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000603423939 360828208 /nfs/dbraw/zinc/82/82/08/360828208.db2.gz RPOJEENMURTAET-UHFFFAOYSA-N 0 3 308.382 2.398 20 5 DEBDHN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@H](N2CCCC2)C1 ZINC000609447375 361312345 /nfs/dbraw/zinc/31/23/45/361312345.db2.gz BPTFIJANRXBNOW-ZDUSSCGKSA-N 0 3 307.325 2.044 20 5 DEBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@@H]2c2ccc(O)cc2)n1 ZINC000610484865 361406754 /nfs/dbraw/zinc/40/67/54/361406754.db2.gz UGHKVFGAEPALEV-CQSZACIVSA-N 0 3 302.334 2.334 20 5 DEBDHN CN(CCCOc1ccc([N+](=O)[O-])cc1)C1(C(N)=O)CCCC1 ZINC000093215104 193217556 /nfs/dbraw/zinc/21/75/56/193217556.db2.gz XLQWMDIMVFAUDH-UHFFFAOYSA-N 0 3 321.377 2.094 20 5 DEBDHN C[C@@H](CNc1ncc([N+](=O)[O-])cc1Br)N(C)C ZINC000093433912 193250709 /nfs/dbraw/zinc/25/07/09/193250709.db2.gz XCKRVWPUABPUMR-ZETCQYMHSA-N 0 3 303.160 2.114 20 5 DEBDHN CN(C)CCN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C1CCCCC1 ZINC000264809685 204173932 /nfs/dbraw/zinc/17/39/32/204173932.db2.gz XSAZGBZQFQKBGR-UHFFFAOYSA-N 0 3 308.382 2.259 20 5 DEBDHN C[C@H](NC(=O)N[C@@H]1CCCN(C)[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000454774816 246141012 /nfs/dbraw/zinc/14/10/12/246141012.db2.gz FECKVBRVLLSDSS-YWPYICTPSA-N 0 3 320.393 2.438 20 5 DEBDHN CN1CCC(Oc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000042389997 183263303 /nfs/dbraw/zinc/26/33/03/183263303.db2.gz UGCBYCORSQBHDW-UHFFFAOYSA-N 0 3 316.155 2.225 20 5 DEBDHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273466588 210798064 /nfs/dbraw/zinc/79/80/64/210798064.db2.gz NRZMCULIWALEQN-PWSUYJOCSA-N 0 3 322.340 2.434 20 5 DEBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)N(C)C1CC1 ZINC000057716041 184049208 /nfs/dbraw/zinc/04/92/08/184049208.db2.gz DKGONRRPOUIDNN-SECBINFHSA-N 0 3 311.769 2.461 20 5 DEBDHN CN(C)C(C)(C)CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000294478914 224048285 /nfs/dbraw/zinc/04/82/85/224048285.db2.gz VPIWUSDOBGGUOE-UHFFFAOYSA-N 0 3 321.377 2.014 20 5 DEBDHN C[C@@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000119850222 195048201 /nfs/dbraw/zinc/04/82/01/195048201.db2.gz UIGOTDIHGKNQPF-ZYHUDNBSSA-N 0 3 304.350 2.342 20 5 DEBDHN COC1([C@@H](C)NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000412020854 533015448 /nfs/dbraw/zinc/01/54/48/533015448.db2.gz KKPNLQBQANCZII-GFCCVEGCSA-N 0 3 321.377 2.105 20 5 DEBDHN O=[N+]([O-])c1ccccc1N1CCN(C[C@H]2CCSC2)CC1 ZINC000495047784 285164157 /nfs/dbraw/zinc/16/41/57/285164157.db2.gz IGCHJTITZDGAOA-CYBMUJFWSA-N 0 3 307.419 2.470 20 5 DEBDHN C[C@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)N1CCCC1 ZINC000541774726 285185089 /nfs/dbraw/zinc/18/50/89/285185089.db2.gz LPQYAXBKYOQIAQ-NEPJUHHUSA-N 0 3 323.368 2.438 20 5 DEBDHN O=[N+]([O-])c1cnn(CCN2CC3(CCC3)[C@@H]2C2CCOCC2)c1 ZINC000425556669 285189495 /nfs/dbraw/zinc/18/94/95/285189495.db2.gz VGEWJPAPYBDFME-HNNXBMFYSA-N 0 3 320.393 2.072 20 5 DEBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CC1CCOCC1 ZINC000156038413 197082814 /nfs/dbraw/zinc/08/28/14/197082814.db2.gz YPYUIKNUPIZSHG-GFCCVEGCSA-N 0 3 321.377 2.280 20 5 DEBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000120831926 195246386 /nfs/dbraw/zinc/24/63/86/195246386.db2.gz LDFDZYCQKMGWHQ-JTMKOSTRSA-N 0 3 317.389 2.407 20 5 DEBDHN CCO[C@@H]1C[C@H](N(C)CCn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC000120886909 195257562 /nfs/dbraw/zinc/25/75/62/195257562.db2.gz YUAQOHXFNWFHBY-UONOGXRCSA-N 0 3 308.382 2.071 20 5 DEBDHN C[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl)N(C)C ZINC000289575771 221079707 /nfs/dbraw/zinc/07/97/07/221079707.db2.gz GZFRICDGIPNCBR-QMMMGPOBSA-N 0 3 300.746 2.320 20 5 DEBDHN C[C@@H](O)c1ncc(CNCCc2ccccc2[N+](=O)[O-])s1 ZINC000289973755 221354340 /nfs/dbraw/zinc/35/43/40/221354340.db2.gz BVUHFJHSVOIBON-SNVBAGLBSA-N 0 3 307.375 2.437 20 5 DEBDHN COC[C@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000544415043 285348473 /nfs/dbraw/zinc/34/84/73/285348473.db2.gz GDIORGKKVSDDFD-JSGCOSHPSA-N 0 3 323.393 2.491 20 5 DEBDHN COC[C@@H](N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000544415046 285348663 /nfs/dbraw/zinc/34/86/63/285348663.db2.gz GDIORGKKVSDDFD-TZMCWYRMSA-N 0 3 323.393 2.491 20 5 DEBDHN CCCN1CCC[C@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000355527826 133031823 /nfs/dbraw/zinc/03/18/23/133031823.db2.gz QFGFGLIURUPTMH-AWEZNQCLSA-N 0 3 321.377 2.094 20 5 DEBDHN CCOc1ccc([C@H](C)NC[C@@H](O)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000358060875 133118731 /nfs/dbraw/zinc/11/87/31/133118731.db2.gz LKMWXRDTOSKGGZ-NJZAAPMLSA-N 0 3 324.377 2.042 20 5 DEBDHN C[C@@H](N[C@@H](C)CCN1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000358148542 133124750 /nfs/dbraw/zinc/12/47/50/133124750.db2.gz GBRKQJLIWOKAGK-UONOGXRCSA-N 0 3 307.394 2.356 20 5 DEBDHN COc1ccc(NC(=O)N[C@@H]2CCN(C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000360397911 133179816 /nfs/dbraw/zinc/17/98/16/133179816.db2.gz ZAVOHSDZIKVVEN-ZYHUDNBSSA-N 0 3 322.365 2.208 20 5 DEBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000362408291 133228520 /nfs/dbraw/zinc/22/85/20/133228520.db2.gz AIOIYTUCPWASJZ-WBMJQRKESA-N 0 3 303.362 2.258 20 5 DEBDHN O=[N+]([O-])c1ccc(CCN2CCS[C@H]3COCC[C@H]32)cc1 ZINC000247271228 145131702 /nfs/dbraw/zinc/13/17/02/145131702.db2.gz SGMHYDFPFDKDFH-CABCVRRESA-N 0 3 308.403 2.344 20 5 DEBDHN Cc1ccc([C@H](C)NC[C@H]2CN3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000321505609 145377168 /nfs/dbraw/zinc/37/71/68/145377168.db2.gz BGSRVDBMRWURSV-IMJJTQAJSA-N 0 3 319.405 2.417 20 5 DEBDHN CC[C@H]1CC[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000348365549 146261205 /nfs/dbraw/zinc/26/12/05/146261205.db2.gz BYUXACCMIKKRRG-FZMZJTMJSA-N 0 3 312.391 2.147 20 5 DEBDHN CCN1CCC(N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000357103482 147042323 /nfs/dbraw/zinc/04/23/23/147042323.db2.gz DNPAJBROIIMLHM-UHFFFAOYSA-N 0 3 323.368 2.219 20 5 DEBDHN C[C@@H](CN(C)C)NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000358494560 147144703 /nfs/dbraw/zinc/14/47/03/147144703.db2.gz BQLXTCGXQMJYHJ-NSHDSACASA-N 0 3 308.382 2.079 20 5 DEBDHN CCCCCNC(=O)Cn1ccc2ccc([N+](=O)[O-])cc2c1=O ZINC000565716053 292177383 /nfs/dbraw/zinc/17/73/83/292177383.db2.gz FRYKVTKHBKUQCW-UHFFFAOYSA-N 0 3 317.345 2.216 20 5 DEBDHN CCN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)CC1CC1 ZINC000112983220 401763428 /nfs/dbraw/zinc/76/34/28/401763428.db2.gz YOESFBMRLBFZJS-UHFFFAOYSA-N 0 3 303.362 2.216 20 5 DEBDHN CC(C)[C@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)N(C)C ZINC000130298023 401826522 /nfs/dbraw/zinc/82/65/22/401826522.db2.gz QFBNSFQZRNBDBO-OAHLLOKOSA-N 0 3 305.378 2.066 20 5 DEBDHN CCOC(=O)c1ccnc(NC[C@@H](C)N(C)C2CC2)c1[N+](=O)[O-] ZINC000077963823 401837392 /nfs/dbraw/zinc/83/73/92/401837392.db2.gz NLTKXBAEJKEUBR-SNVBAGLBSA-N 0 3 322.365 2.061 20 5 DEBDHN C[C@H]1CCCCN1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000131504214 401851718 /nfs/dbraw/zinc/85/17/18/401851718.db2.gz KLZHDVOJMFIYOJ-LBPRGKRZSA-N 0 3 323.368 2.267 20 5 DEBDHN CN(CC1CCN(C)CC1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087299493 401929951 /nfs/dbraw/zinc/92/99/51/401929951.db2.gz UUGFJEZGCWFQOO-UHFFFAOYSA-N 0 3 319.405 2.328 20 5 DEBDHN CN(C)C[C@@H]1CCCCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087297645 401930089 /nfs/dbraw/zinc/93/00/89/401930089.db2.gz CGPVSBSJGBQMEW-INIZCTEOSA-N 0 3 319.405 2.470 20 5 DEBDHN CN(C(=O)CCc1cccc([N+](=O)[O-])c1)[C@H]1CCCN(C)C1 ZINC000087330806 401931062 /nfs/dbraw/zinc/93/10/62/401931062.db2.gz GRWDTYAHAKOKQR-HNNXBMFYSA-N 0 3 305.378 2.080 20 5 DEBDHN CCN1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000044670924 401947176 /nfs/dbraw/zinc/94/71/76/401947176.db2.gz QDQOJESSFFAICI-NSHDSACASA-N 0 3 311.769 2.462 20 5 DEBDHN COc1cc(CN(C)CC2CCOCC2)c([N+](=O)[O-])cc1OC ZINC000093314681 402013564 /nfs/dbraw/zinc/01/35/64/402013564.db2.gz HJFGAFZWMHNGIA-UHFFFAOYSA-N 0 3 324.377 2.470 20 5 DEBDHN COCCOC[C@@H]1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000093754599 402019705 /nfs/dbraw/zinc/01/97/05/402019705.db2.gz AIHMSYBUPPXZQS-OAHLLOKOSA-N 0 3 308.378 2.388 20 5 DEBDHN CN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(C)C1 ZINC000153605905 402156183 /nfs/dbraw/zinc/15/61/83/402156183.db2.gz YMKHTTIILQEAFI-JOZWUWCOSA-N 0 3 303.362 2.161 20 5 DEBDHN CCN1CCC[C@H]1CNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000067178962 402154061 /nfs/dbraw/zinc/15/40/61/402154061.db2.gz ORCAOJVYWMHQJZ-HBWSCVEGSA-N 0 3 303.362 2.209 20 5 DEBDHN CN(C(=O)CSc1ccc([N+](=O)[O-])cc1)C1CCN(C)CC1 ZINC000068192490 402186283 /nfs/dbraw/zinc/18/62/83/402186283.db2.gz NWQIZDXHCFXOEL-UHFFFAOYSA-N 0 3 323.418 2.240 20 5 DEBDHN CN(CC1CCN(C)CC1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000103514540 402192250 /nfs/dbraw/zinc/19/22/50/402192250.db2.gz QXBPSRFRTIOTQQ-UHFFFAOYSA-N 0 3 320.393 2.078 20 5 DEBDHN O=[N+]([O-])c1cccc(CN2CCC[C@@H](CN3CCOCC3)C2)c1 ZINC000069803258 402244328 /nfs/dbraw/zinc/24/43/28/402244328.db2.gz CXBSWRTXMJBFQS-INIZCTEOSA-N 0 3 319.405 2.139 20 5 DEBDHN Cc1nc2n(n1)C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000105934389 402211194 /nfs/dbraw/zinc/21/11/94/402211194.db2.gz ORTFKOKOUAWSRX-GXFFZTMASA-N 0 3 301.350 2.160 20 5 DEBDHN C[C@H]1C[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000177639792 402422547 /nfs/dbraw/zinc/42/25/47/402422547.db2.gz HPUDGQKIFYRRNU-JQWIXIFHSA-N 0 3 304.350 2.342 20 5 DEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1csc([N+](=O)[O-])c1 ZINC000177787097 402436453 /nfs/dbraw/zinc/43/64/53/402436453.db2.gz RCOUQOUXCZWXKY-NEPJUHHUSA-N 0 3 309.391 2.355 20 5 DEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000177800550 402437469 /nfs/dbraw/zinc/43/74/69/402437469.db2.gz YJAGWIZJSGYYTP-CABCVRRESA-N 0 3 317.389 2.223 20 5 DEBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNCC2(O)CCC2)c1 ZINC000238133475 402438895 /nfs/dbraw/zinc/43/88/95/402438895.db2.gz QERLWPLIBWZOAR-UHFFFAOYSA-N 0 3 302.277 2.201 20 5 DEBDHN C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)N1CCC(C)CC1 ZINC000178180346 402468533 /nfs/dbraw/zinc/46/85/33/402468533.db2.gz WRAGYOSVVOWOMI-LBPRGKRZSA-N 0 3 320.393 2.027 20 5 DEBDHN COC(=O)C[C@@H]1CCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000179141751 402576014 /nfs/dbraw/zinc/57/60/14/402576014.db2.gz KCKWRURXXGNYLU-LBPRGKRZSA-N 0 3 308.334 2.001 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCO[C@@H](C)C1 ZINC000170774580 402523767 /nfs/dbraw/zinc/52/37/67/402523767.db2.gz PCHUZRYGGXMMKM-ZDUSSCGKSA-N 0 3 321.377 2.343 20 5 DEBDHN O=[N+]([O-])c1cccc(N2CCN(CC3CCOCC3)CC2)c1 ZINC000171824630 402625979 /nfs/dbraw/zinc/62/59/79/402625979.db2.gz PXAKQMSKHFNQNE-UHFFFAOYSA-N 0 3 305.378 2.143 20 5 DEBDHN CN(CCOc1cccc([N+](=O)[O-])c1)C[C@H]1CCCC[C@@H]1O ZINC000181472114 402646666 /nfs/dbraw/zinc/64/66/66/402646666.db2.gz ATYBVBVNIDXPLO-CJNGLKHVSA-N 0 3 308.378 2.457 20 5 DEBDHN C[C@H](NC(=O)N1CCN2CCC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000252442030 402653047 /nfs/dbraw/zinc/65/30/47/402653047.db2.gz GBUKYSQZPLVKIU-WFASDCNBSA-N 0 3 318.377 2.145 20 5 DEBDHN C[C@H]1CC[C@H](C)N1CC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000173898261 402717475 /nfs/dbraw/zinc/71/74/75/402717475.db2.gz IVOCJGQDWQHCNX-STQMWFEESA-N 0 3 305.378 2.426 20 5 DEBDHN COc1ccc(OCCN2CCN(C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000173488578 402699728 /nfs/dbraw/zinc/69/97/28/402699728.db2.gz JEGITJDBBGIHGQ-UHFFFAOYSA-N 0 3 323.393 2.008 20 5 DEBDHN CCc1ccc(C(=O)NC[C@H]2CCCN2CC)cc1[N+](=O)[O-] ZINC000174024606 402723908 /nfs/dbraw/zinc/72/39/08/402723908.db2.gz SNJQHBQDMITVAK-CQSZACIVSA-N 0 3 305.378 2.371 20 5 DEBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCCN1C ZINC000194730984 402813292 /nfs/dbraw/zinc/81/32/92/402813292.db2.gz QZRSTKTYJFSEKH-WCQYABFASA-N 0 3 323.418 2.286 20 5 DEBDHN CCN1CCN([C@H]2CCN(c3ccc([N+](=O)[O-])c(C)c3)C2)CC1 ZINC000264412287 402876110 /nfs/dbraw/zinc/87/61/10/402876110.db2.gz OWDDAJSLFSBYGD-INIZCTEOSA-N 0 3 318.421 2.119 20 5 DEBDHN COc1cc(N2CC[C@H]3CCN(C)C[C@H]32)c(F)cc1[N+](=O)[O-] ZINC000272176138 402906073 /nfs/dbraw/zinc/90/60/73/402906073.db2.gz JIABTCBEBZDMFQ-QMTHXVAHSA-N 0 3 309.341 2.273 20 5 DEBDHN CN(C)[C@H]1CCCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000264620736 402891287 /nfs/dbraw/zinc/89/12/87/402891287.db2.gz PUROGWBOPXPODG-LBPRGKRZSA-N 0 3 316.361 2.242 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000272241862 402913641 /nfs/dbraw/zinc/91/36/41/402913641.db2.gz GQSGSNQGAZRJPG-IUODEOHRSA-N 0 3 318.377 2.461 20 5 DEBDHN CC(C)(C)[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000265466808 402921407 /nfs/dbraw/zinc/92/14/07/402921407.db2.gz OHADCYVFVHPFLF-HNNXBMFYSA-N 0 3 307.394 2.124 20 5 DEBDHN COc1ccc(OCCN(C)C[C@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC000266553876 402973521 /nfs/dbraw/zinc/97/35/21/402973521.db2.gz UYVKRWXYXAVKKW-CQSZACIVSA-N 0 3 324.377 2.483 20 5 DEBDHN C[C@H]1CN(C2CC2)C[C@@H]1Nc1nc2sccn2c1[N+](=O)[O-] ZINC000268165495 403056519 /nfs/dbraw/zinc/05/65/19/403056519.db2.gz PODZDIFKZPONQD-WPRPVWTQSA-N 0 3 307.379 2.199 20 5 DEBDHN COCCn1cc(CNC/C=C/c2ccccc2[N+](=O)[O-])cn1 ZINC000282043892 403116785 /nfs/dbraw/zinc/11/67/85/403116785.db2.gz OXWFCBNSUWPEMA-GQCTYLIASA-N 0 3 316.361 2.241 20 5 DEBDHN CS[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1N(C)C ZINC000270497705 403196048 /nfs/dbraw/zinc/19/60/48/403196048.db2.gz WEGZSDYCOGQFEL-QWHCGFSZSA-N 0 3 324.406 2.104 20 5 DEBDHN COc1ccc(OCCN2C[C@H](C)N(C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000330595944 403285566 /nfs/dbraw/zinc/28/55/66/403285566.db2.gz RGQQMWJOMOHYSW-QWHCGFSZSA-N 0 3 323.393 2.007 20 5 DEBDHN C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)C ZINC000298384034 403370655 /nfs/dbraw/zinc/37/06/55/403370655.db2.gz HJNIYXHYWNXQBD-MRVPVSSYSA-N 0 3 300.746 2.320 20 5 DEBDHN CCC[C@@]1(NCC(=O)Nc2ccccc2[N+](=O)[O-])CCOC1 ZINC000285765532 403375012 /nfs/dbraw/zinc/37/50/12/403375012.db2.gz ZSDCUXGXPITXCD-OAHLLOKOSA-N 0 3 307.350 2.082 20 5 DEBDHN COc1cc(CNC[C@@H](OC)C2CC2)c([N+](=O)[O-])cc1OC ZINC000293194248 403412708 /nfs/dbraw/zinc/41/27/08/403412708.db2.gz XHTDUHUZSJIYBA-OAHLLOKOSA-N 0 3 310.350 2.127 20 5 DEBDHN CC(C)[C@@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)CCN1C ZINC000343204051 403494059 /nfs/dbraw/zinc/49/40/59/403494059.db2.gz IGQXMDVWBLNGOR-NSHDSACASA-N 0 3 321.406 2.376 20 5 DEBDHN COc1ccc(OCCN2C[C@@H](C)N(C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000293544811 403500137 /nfs/dbraw/zinc/50/01/37/403500137.db2.gz YJHOMNYRGWLYDL-BETUJISGSA-N 0 3 323.393 2.007 20 5 DEBDHN O=[N+]([O-])c1cccc(N2CCN(C[C@@H]3CCCOC3)CC2)c1 ZINC000332402364 403573000 /nfs/dbraw/zinc/57/30/00/403573000.db2.gz WEPMUEVUBDGDEL-AWEZNQCLSA-N 0 3 305.378 2.143 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@@H]1CC[C@@H](CO)O1)CCC2 ZINC000340413638 403608679 /nfs/dbraw/zinc/60/86/79/403608679.db2.gz QPVOUUKCJJMFKU-OFQRWUPVSA-N 0 3 306.362 2.102 20 5 DEBDHN CCCN1CCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1NC ZINC000343551202 403634229 /nfs/dbraw/zinc/63/42/29/403634229.db2.gz POZXYVDUIBAWFO-LBPRGKRZSA-N 0 3 320.393 2.241 20 5 DEBDHN CCN1CCN([C@@H](C)CNc2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000301534633 403643647 /nfs/dbraw/zinc/64/36/47/403643647.db2.gz QIDKSUATYPKLHW-AWEZNQCLSA-N 0 3 306.410 2.341 20 5 DEBDHN CC1CCC(N2CCN(c3ncc([N+](=O)[O-])cn3)CC2)CC1 ZINC000302170987 403709471 /nfs/dbraw/zinc/70/94/71/403709471.db2.gz UQUPGRMNPFWJBF-UHFFFAOYSA-N 0 3 305.382 2.086 20 5 DEBDHN O=C(NC[C@@H]1CCCCN1C1CC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000347354046 403676646 /nfs/dbraw/zinc/67/66/46/403676646.db2.gz IEHMBLAHTJJRDQ-AWEZNQCLSA-N 0 3 321.352 2.481 20 5 DEBDHN CN1CCC[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])s3)C2)C1 ZINC000294104698 403648909 /nfs/dbraw/zinc/64/89/09/403648909.db2.gz KVXHMTAYHRNXEI-AWEZNQCLSA-N 0 3 309.391 2.214 20 5 DEBDHN C[C@@H](CN(C)C)NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000288117808 403729284 /nfs/dbraw/zinc/72/92/84/403729284.db2.gz WCLHJKUAGDURPF-LBPRGKRZSA-N 0 3 320.393 2.219 20 5 DEBDHN C[C@H]1C[C@@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CCN1C ZINC000341195826 403821064 /nfs/dbraw/zinc/82/10/64/403821064.db2.gz IJLVEKQLFNFPCF-JSGCOSHPSA-N 0 3 320.393 2.219 20 5 DEBDHN CSC1(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000347865237 403917276 /nfs/dbraw/zinc/91/72/76/403917276.db2.gz ZFCGUEDKZPDHBE-NSHDSACASA-N 0 3 308.407 2.372 20 5 DEBDHN CCC1(CO)CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000305745423 403925601 /nfs/dbraw/zinc/92/56/01/403925601.db2.gz PEOPOXBJOHNGPG-UHFFFAOYSA-N 0 3 308.378 2.458 20 5 DEBDHN CC[C@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)N(CC)CC ZINC000344233136 403996006 /nfs/dbraw/zinc/99/60/06/403996006.db2.gz SQIRMSYCRPYIRO-OAHLLOKOSA-N 0 3 322.409 2.243 20 5 DEBDHN COC(=O)[C@@]1(C)CN(Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@@H]1C ZINC000337422269 404012538 /nfs/dbraw/zinc/01/25/38/404012538.db2.gz BRPDGAHQRHITKP-ZBEGNZNMSA-N 0 3 322.361 2.234 20 5 DEBDHN CN1CCC(Cc2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)CC1 ZINC000290055357 404020592 /nfs/dbraw/zinc/02/05/92/404020592.db2.gz APZMTQTVVNTWRU-UHFFFAOYSA-N 0 3 317.349 2.111 20 5 DEBDHN Cc1c([C@@H](C)NCCN2CCC(O)CC2)cccc1[N+](=O)[O-] ZINC000295956131 404028052 /nfs/dbraw/zinc/02/80/52/404028052.db2.gz MPJDTYSGCXNRMF-CYBMUJFWSA-N 0 3 307.394 2.011 20 5 DEBDHN CC(C)(C(=O)NCCN1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000352026822 404093092 /nfs/dbraw/zinc/09/30/92/404093092.db2.gz HWUFHBYNPBUXIL-UHFFFAOYSA-N 0 3 305.378 2.084 20 5 DEBDHN COC1([C@H](C)NCC(=O)Nc2ccccc2[N+](=O)[O-])CCC1 ZINC000412026535 404063537 /nfs/dbraw/zinc/06/35/37/404063537.db2.gz SSHOVOZVAXALCV-NSHDSACASA-N 0 3 307.350 2.081 20 5 DEBDHN C[C@](O)(CNCc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 ZINC000344413838 404118531 /nfs/dbraw/zinc/11/85/31/404118531.db2.gz VQQNEMNLCAHEPS-AWEZNQCLSA-N 0 3 316.304 2.447 20 5 DEBDHN C[C@H](CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)N(C)C1CC1 ZINC000296328841 404198961 /nfs/dbraw/zinc/19/89/61/404198961.db2.gz GPEVSWWIHZCQGQ-NEPJUHHUSA-N 0 3 320.393 2.438 20 5 DEBDHN C[C@H]1CC[C@H](C)N1CC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000338319983 404362690 /nfs/dbraw/zinc/36/26/90/404362690.db2.gz AGJDACOTJDQIGC-KBPBESRZSA-N 0 3 319.405 2.469 20 5 DEBDHN C[C@H]1C[C@H]1N1CCN(c2ncc([N+](=O)[O-])cc2F)C[C@@H](C)C1 ZINC000413299256 404422924 /nfs/dbraw/zinc/42/29/24/404422924.db2.gz HHBOPKMXSFIYCA-COPLHBTASA-N 0 3 308.357 2.295 20 5 DEBDHN CS[C@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000342540941 404641928 /nfs/dbraw/zinc/64/19/28/404641928.db2.gz HFGFKZQORUVAOP-KGLIPLIRSA-N 0 3 313.398 2.211 20 5 DEBDHN CCN1C[C@H](C)N(CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000330580519 404693108 /nfs/dbraw/zinc/69/31/08/404693108.db2.gz QEMSBFGSKZDEED-KBPBESRZSA-N 0 3 307.394 2.388 20 5 DEBDHN CCN1C[C@@H](C)N(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000330589969 404694926 /nfs/dbraw/zinc/69/49/26/404694926.db2.gz URQBILBJFIUIGZ-VXGBXAGGSA-N 0 3 320.393 2.393 20 5 DEBDHN COCCNCCNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414882663 404757179 /nfs/dbraw/zinc/75/71/79/404757179.db2.gz LUWDEPKOZBNFLL-UHFFFAOYSA-N 0 3 319.361 2.180 20 5 DEBDHN CCCCOC(=O)CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365823935 404726651 /nfs/dbraw/zinc/72/66/51/404726651.db2.gz XPFZAJCZDRNEJA-UHFFFAOYSA-N 0 3 324.381 2.162 20 5 DEBDHN Cc1ccc(CN[C@@H]2CCN(c3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000361012439 404878229 /nfs/dbraw/zinc/87/82/29/404878229.db2.gz NXNMBQHCFCCMTD-CQSZACIVSA-N 0 3 315.377 2.005 20 5 DEBDHN COc1ccc(CN2CC[C@H]([C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000354101816 405045600 /nfs/dbraw/zinc/04/56/00/405045600.db2.gz WPTRMDSCFRGAGD-KBPBESRZSA-N 0 3 306.362 2.462 20 5 DEBDHN C[C@H](NC(=O)N1CCN[C@@H](C)[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000417140692 405047417 /nfs/dbraw/zinc/04/74/17/405047417.db2.gz QJKJTEBQBDDSIL-SDDRHHMPSA-N 0 3 306.366 2.048 20 5 DEBDHN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCN2CCC[C@@H]2C1 ZINC000408276436 405159956 /nfs/dbraw/zinc/15/99/56/405159956.db2.gz IVUMSYAVFWNKRN-GFCCVEGCSA-N 0 3 308.313 2.046 20 5 DEBDHN Nc1cccc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000420365631 405334225 /nfs/dbraw/zinc/33/42/25/405334225.db2.gz FBBPHPIAXUNQLN-UHFFFAOYSA-N 0 3 301.350 2.211 20 5 DEBDHN O=[N+]([O-])c1cnn(CCN2CC3(CCC3)[C@H]2C2CCOCC2)c1 ZINC000425556672 405302649 /nfs/dbraw/zinc/30/26/49/405302649.db2.gz VGEWJPAPYBDFME-OAHLLOKOSA-N 0 3 320.393 2.072 20 5 DEBDHN COCC[C@]1(NC/C=C/c2ccccc2[N+](=O)[O-])CCOC1 ZINC000447091952 405402395 /nfs/dbraw/zinc/40/23/95/405402395.db2.gz WNWHDSMZNQIZTO-NBUZRDOWSA-N 0 3 306.362 2.393 20 5 DEBDHN CCOc1cc(CN2C[C@H](CO)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000420932194 405408382 /nfs/dbraw/zinc/40/83/82/405408382.db2.gz DVOHPGLGJHIDID-GXTWGEPZSA-N 0 3 308.378 2.444 20 5 DEBDHN CCOc1cc(CN2C[C@@H](C)C[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000420932197 405408470 /nfs/dbraw/zinc/40/84/70/405408470.db2.gz DVOHPGLGJHIDID-JSGCOSHPSA-N 0 3 308.378 2.444 20 5 DEBDHN CC1(C)CCCN(CCNc2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000420613861 405361894 /nfs/dbraw/zinc/36/18/94/405361894.db2.gz UILPUZSUJNHFBD-UHFFFAOYSA-N 0 3 320.393 2.228 20 5 DEBDHN C[C@@H](CNCc1cc([N+](=O)[O-])ccc1OC(F)F)N(C)C ZINC000449557049 405611699 /nfs/dbraw/zinc/61/16/99/405611699.db2.gz PJAZMWOSRZXOEA-VIFPVBQESA-N 0 3 303.309 2.236 20 5 DEBDHN CCOc1ccc(C(=O)N(C)C[C@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000421707635 405600861 /nfs/dbraw/zinc/60/08/61/405600861.db2.gz XZAYJTSVPAQNAF-CYBMUJFWSA-N 0 3 321.377 2.160 20 5 DEBDHN C[C@@H](C(=O)N1CC[C@@]2(CCN(C)C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000558034439 405639803 /nfs/dbraw/zinc/63/98/03/405639803.db2.gz YEBGYIMQYZTBOD-CXAGYDPISA-N 0 3 317.389 2.253 20 5 DEBDHN CC(C)N1CC[C@@H](N(C)C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000457090910 405692002 /nfs/dbraw/zinc/69/20/02/405692002.db2.gz MLVQFWWJMWXAGH-MRXNPFEDSA-N 0 3 319.405 2.469 20 5 DEBDHN CN(C)CC(C)(C)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000457207846 405753450 /nfs/dbraw/zinc/75/34/50/405753450.db2.gz AXRSWSIFDFAFPI-UHFFFAOYSA-N 0 3 320.393 2.239 20 5 DEBDHN COc1ccc([C@H](CO)CNCc2ccccc2[N+](=O)[O-])cc1 ZINC000459749345 406031226 /nfs/dbraw/zinc/03/12/26/406031226.db2.gz MHFAOVIPHVNKCC-HNNXBMFYSA-N 0 3 316.357 2.469 20 5 DEBDHN CC(C)CN1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532691524 406093316 /nfs/dbraw/zinc/09/33/16/406093316.db2.gz MQPYEOHFYBLVLN-ZDUSSCGKSA-N 0 3 320.393 2.230 20 5 DEBDHN CC[C@@H]1CN(CCNCc2ccc([N+](=O)[O-])cc2C)CCO1 ZINC000487198394 406214518 /nfs/dbraw/zinc/21/45/18/406214518.db2.gz GGXKLOVEQFKZNG-MRXNPFEDSA-N 0 3 307.394 2.104 20 5 DEBDHN C[C@@H](C(=O)N(C)CCN1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000520917571 406322246 /nfs/dbraw/zinc/32/22/46/406322246.db2.gz ABTXYUUDKGVDNY-CYBMUJFWSA-N 0 3 305.378 2.253 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)n1 ZINC000488715806 406339764 /nfs/dbraw/zinc/33/97/64/406339764.db2.gz BEARPEUWXBWGFG-SLEUVZQESA-N 0 3 304.394 2.465 20 5 DEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@H]1CCS(=O)(=O)[C@H]1C ZINC000552083559 406682222 /nfs/dbraw/zinc/68/22/22/406682222.db2.gz MMSFDBSECKPMOC-LFIVMHCDSA-N 0 3 324.402 2.163 20 5 DEBDHN O=[N+]([O-])c1cnc(N[C@H]2CCCN(Cc3ccccc3)C2)nc1 ZINC000132825926 196287666 /nfs/dbraw/zinc/28/76/66/196287666.db2.gz BMBOBIPXRJIKPL-AWEZNQCLSA-N 0 3 313.361 2.461 20 5 DEBDHN C[C@H]1CCCN(CCNC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000132827815 196288113 /nfs/dbraw/zinc/28/81/13/196288113.db2.gz ZJHMHIZBMRHLHA-NSHDSACASA-N 0 3 309.341 2.196 20 5 DEBDHN CCN1CCCC[C@@H]1CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000134326331 196379065 /nfs/dbraw/zinc/37/90/65/196379065.db2.gz YNODJWJCHKYYGK-GFCCVEGCSA-N 0 3 309.341 2.338 20 5 DEBDHN O=C1CC[C@H](N[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CN1 ZINC000417313611 229006998 /nfs/dbraw/zinc/00/69/98/229006998.db2.gz POHBAGUEXLZGKX-SWLSCSKDSA-N 0 3 303.362 2.231 20 5 DEBDHN COc1ccc(OCCN2CCC[C@H](OC)CC2)c([N+](=O)[O-])c1 ZINC000363676412 269068771 /nfs/dbraw/zinc/06/87/71/269068771.db2.gz PFSKMCSHWQSQLP-ZDUSSCGKSA-N 0 3 324.377 2.483 20 5 DEBDHN CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)OCC(C)[N+](=O)[O-] ZINC000496836059 269257581 /nfs/dbraw/zinc/25/75/81/269257581.db2.gz PMGFJFINXLDGCS-QWRGUYRKSA-N 0 3 318.370 2.134 20 5 DEBDHN CN(C)CC1(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000339407712 273794389 /nfs/dbraw/zinc/79/43/89/273794389.db2.gz NLQBDHUFSMLSIA-UHFFFAOYSA-N 0 3 311.769 2.462 20 5 DEBDHN CS[C@@H]1CN(c2cc(C)c([N+](=O)[O-])cn2)C[C@H]1N1CCCC1 ZINC000274668843 274182107 /nfs/dbraw/zinc/18/21/07/274182107.db2.gz KTNXHNVITZXKRZ-ZIAGYGMSSA-N 0 3 322.434 2.314 20 5 DEBDHN CS[C@H]1CN(c2cc(C)c([N+](=O)[O-])cn2)C[C@@H]1N1CCCC1 ZINC000274668832 274186356 /nfs/dbraw/zinc/18/63/56/274186356.db2.gz KTNXHNVITZXKRZ-KBPBESRZSA-N 0 3 322.434 2.314 20 5 DEBDHN C[C@@H]1CCN(C)CCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000342143093 274300817 /nfs/dbraw/zinc/30/08/17/274300817.db2.gz VRKMAJJNYYTOCO-SECBINFHSA-N 0 3 307.379 2.130 20 5 DEBDHN C[C@@H]1OCC[C@@]1(O)CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000278695863 274421830 /nfs/dbraw/zinc/42/18/30/274421830.db2.gz HFQIZQQXVBPPEZ-XNJJOIOASA-N 0 3 320.389 2.447 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@@]1(O)CCOC1)CCCC2 ZINC000417307137 275038338 /nfs/dbraw/zinc/03/83/38/275038338.db2.gz FIVQBZXOQJYMAL-CVEARBPZSA-N 0 3 306.362 2.103 20 5 DEBDHN O=[N+]([O-])c1ccccc1/C=C/CN(CCO)C1CCOCC1 ZINC000275864870 275039886 /nfs/dbraw/zinc/03/98/86/275039886.db2.gz JJWNQUNMWWWNHV-HWKANZROSA-N 0 3 306.362 2.081 20 5 DEBDHN CC(C)c1ccc(CNC[C@H](CO)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000360766397 276053479 /nfs/dbraw/zinc/05/34/79/276053479.db2.gz RWELLTWRDYJSDH-LSDHHAIUSA-N 0 3 322.405 2.453 20 5 DEBDHN CN(CCN1CCCC1)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412001245 276943456 /nfs/dbraw/zinc/94/34/56/276943456.db2.gz GLTYKYKJVVDOGP-JKSUJKDBSA-N 0 3 317.389 2.253 20 5 DEBDHN CN1CCC(Nc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000042371366 277031873 /nfs/dbraw/zinc/03/18/73/277031873.db2.gz SOUPRVKFEKCBAO-UHFFFAOYSA-N 0 3 315.171 2.258 20 5 DEBDHN C[C@@H](CN1CCCCC1)NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000193201595 278252930 /nfs/dbraw/zinc/25/29/30/278252930.db2.gz BCTZPSDZRJAXLW-ZDUSSCGKSA-N 0 3 320.393 2.268 20 5 DEBDHN C[C@@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000272650545 278330248 /nfs/dbraw/zinc/33/02/48/278330248.db2.gz ANCBANQTDWTZNK-SNVBAGLBSA-N 0 3 307.325 2.114 20 5 DEBDHN C[S@@](=O)C1(CNC/C=C\c2ccccc2[N+](=O)[O-])CCC1 ZINC000435727610 280178270 /nfs/dbraw/zinc/17/82/70/280178270.db2.gz ZMDGKQLLJGCEGH-ANIGNSTFSA-N 0 3 308.403 2.499 20 5 DEBDHN Cc1cccc(C(=O)Nc2cnc3c(c2)CNCC3)c1[N+](=O)[O-] ZINC000367385355 281196547 /nfs/dbraw/zinc/19/65/47/281196547.db2.gz WGXQBIOCMPHIJA-UHFFFAOYSA-N 0 3 312.329 2.196 20 5 DEBDHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000287299521 289043511 /nfs/dbraw/zinc/04/35/11/289043511.db2.gz UFFURRDCBOWWGE-BXUZGUMPSA-N 0 3 321.352 2.433 20 5 DEBDHN Cc1ccsc1CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000574863717 326194221 /nfs/dbraw/zinc/19/42/21/326194221.db2.gz BXMCPRWJHBXRKI-CYBMUJFWSA-N 0 3 322.386 2.494 20 5 DEBDHN CC1(C)[C@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]2CCO[C@H]21 ZINC000575001321 326209331 /nfs/dbraw/zinc/20/93/31/326209331.db2.gz COTMAPGJJOOVHA-VCTAVGKDSA-N 0 3 316.361 2.374 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC1(N2CCOCC2)CC1 ZINC000577180769 326347696 /nfs/dbraw/zinc/34/76/96/326347696.db2.gz JTOORZNKXZKJOS-AWEZNQCLSA-N 0 3 319.405 2.419 20 5 DEBDHN CNc1ccc(C(=O)NCCN2CCCC2(C)C)cc1[N+](=O)[O-] ZINC000584276166 332179433 /nfs/dbraw/zinc/17/94/33/332179433.db2.gz CKRNIABWBXNWQJ-UHFFFAOYSA-N 0 3 320.393 2.241 20 5 DEBDHN COC[C@](C)(O)CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000583240866 337284669 /nfs/dbraw/zinc/28/46/69/337284669.db2.gz SUSNPCAXYQNQCL-GOEBONIOSA-N 0 3 308.378 2.304 20 5 DEBDHN C[C@@H](C(=O)N1CCN(C)CC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000584444490 337326301 /nfs/dbraw/zinc/32/63/01/337326301.db2.gz NBDQFMLRFJYWLD-CHWSQXEVSA-N 0 3 305.378 2.251 20 5 DEBDHN COc1cc(CNC[C@@]2(O)CCC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000292981006 533882834 /nfs/dbraw/zinc/88/28/34/533882834.db2.gz LGSTUZJDLZAPGI-ZBEGNZNMSA-N 0 3 324.377 2.253 20 5 DEBDHN C[C@@H]1CC[C@H](CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)O1 ZINC000249152502 524673212 /nfs/dbraw/zinc/67/32/12/524673212.db2.gz XZPFYALMTNRBOJ-YRGRVCCFSA-N 0 3 306.366 2.044 20 5 DEBDHN CN1CC[C@](O)(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000358307736 536481569 /nfs/dbraw/zinc/48/15/69/536481569.db2.gz OFWTWLAYAAGGNS-LBPRGKRZSA-N 0 3 319.283 2.092 20 5 DEBDHN CC(C)(CCC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)[N+](=O)[O-] ZINC000294446843 527004297 /nfs/dbraw/zinc/00/42/97/527004297.db2.gz ORFJJPSKAGYCOP-OAHLLOKOSA-N 0 3 319.405 2.213 20 5 DEBDHN CC(C)(CCC(=O)N[C@H]1CCN(Cc2ccccc2)C1)[N+](=O)[O-] ZINC000294446839 527006361 /nfs/dbraw/zinc/00/63/61/527006361.db2.gz ORFJJPSKAGYCOP-HNNXBMFYSA-N 0 3 319.405 2.213 20 5 DEBDHN O=[N+]([O-])c1cccc(OCCN(CCO)Cc2ccccc2)c1 ZINC000103140433 527391568 /nfs/dbraw/zinc/39/15/68/527391568.db2.gz CHTLXFRGZDWXLP-UHFFFAOYSA-N 0 3 316.357 2.468 20 5 DEBDHN CC(C)c1ccc([C@H](N)CNC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1 ZINC000428895406 528145178 /nfs/dbraw/zinc/14/51/78/528145178.db2.gz PAJKAFVEFIWIAF-CYBMUJFWSA-N 0 3 316.361 2.476 20 5 DEBDHN CCN1CCC(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000330875369 528985353 /nfs/dbraw/zinc/98/53/53/528985353.db2.gz WFZVNKLQZZPQFI-LLVKDONJSA-N 0 3 323.368 2.438 20 5 DEBDHN CC(C)[C@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CCN1C ZINC000493565971 535209363 /nfs/dbraw/zinc/20/93/63/535209363.db2.gz YQJNVCROBKWWCL-KXPUMZMLSA-N 0 3 317.389 2.407 20 5 DEBDHN CN(C)CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000353848972 535841236 /nfs/dbraw/zinc/84/12/36/535841236.db2.gz YBLAZUWJSCLGPK-UHFFFAOYSA-N 0 3 319.405 2.470 20 5 DEBDHN CN1C[C@@H]2CCCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000493155904 536487092 /nfs/dbraw/zinc/48/70/92/536487092.db2.gz NIVGVNSWBFFDJS-FNHJVCLDSA-N 0 3 315.373 2.161 20 5 DEBDHN COC(C)(C)c1nc(C)c(C(=O)OCC(C)[N+](=O)[O-])s1 ZINC000813101563 623293121 /nfs/dbraw/zinc/29/31/21/623293121.db2.gz DKBHGGQTMVMWHN-SSDOTTSWSA-N 0 3 302.352 2.155 20 5 DEBDHN O=C(N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1)c1ccoc1 ZINC001021832897 624120527 /nfs/dbraw/zinc/12/05/27/624120527.db2.gz GKFHVIGUHLPXTC-OKILXGFUSA-N 0 3 315.329 2.238 20 5 DEBDHN COc1c([O-])ccc(C[NH2+]CCc2cnc(C)s2)c1[N+](=O)[O-] ZINC000893202082 625224560 /nfs/dbraw/zinc/22/45/60/625224560.db2.gz YPDNPXHMYSOQGK-UHFFFAOYSA-N 0 3 323.374 2.406 20 5 DEBDHN COc1c(O)ccc(CNCCc2cnc(C)s2)c1[N+](=O)[O-] ZINC000893202082 625224563 /nfs/dbraw/zinc/22/45/63/625224563.db2.gz YPDNPXHMYSOQGK-UHFFFAOYSA-N 0 3 323.374 2.406 20 5 DEBDHN COCCN1CC[C@H](NCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000892972912 625826563 /nfs/dbraw/zinc/82/65/63/625826563.db2.gz ZONLPHMZSUDOOS-ZDUSSCGKSA-N 0 3 313.785 2.059 20 5 DEBDHN COCCN1CC[C@@H](NCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000892972911 625827108 /nfs/dbraw/zinc/82/71/08/625827108.db2.gz ZONLPHMZSUDOOS-CYBMUJFWSA-N 0 3 313.785 2.059 20 5 DEBDHN C[C@H](NC(=O)N[C@H]1CCCN(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000836345519 650081505 /nfs/dbraw/zinc/08/15/05/650081505.db2.gz LILHZIXDDGVLSU-AAEUAGOBSA-N 0 3 306.366 2.049 20 5 DEBDHN O=[N+]([O-])c1ccccc1CNCC1(C2(O)CCOCC2)CC1 ZINC000922597141 636274465 /nfs/dbraw/zinc/27/44/65/636274465.db2.gz KXRBHIFAIGUQSF-UHFFFAOYSA-N 0 3 306.362 2.006 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCc1cc(C)n(C)n1 ZINC000922690161 636328724 /nfs/dbraw/zinc/32/87/24/636328724.db2.gz UGOSZWSRLQIWBP-UHFFFAOYSA-N 0 3 318.377 2.368 20 5 DEBDHN O=[N+]([O-])c1ccc(Cl)cc1CNC[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000922724898 636347360 /nfs/dbraw/zinc/34/73/60/636347360.db2.gz DAMMUUOKDSVXLG-QKCSRTOESA-N 0 3 312.753 2.142 20 5 DEBDHN CN(CCOC(=O)CCC(C)(C)[N+](=O)[O-])Cc1ccccc1 ZINC000837926143 650298259 /nfs/dbraw/zinc/29/82/59/650298259.db2.gz ISFREWOIMWHCEA-UHFFFAOYSA-N 0 3 308.378 2.497 20 5 DEBDHN Cc1c(CNC(=O)N(C)[C@@H]2CCCN(C)C2)cccc1[N+](=O)[O-] ZINC000894396187 636996982 /nfs/dbraw/zinc/99/69/82/636996982.db2.gz FLZQWMSDIAEUGB-CQSZACIVSA-N 0 3 320.393 2.139 20 5 DEBDHN COc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCN1C1CCCC1 ZINC000894769223 637198691 /nfs/dbraw/zinc/19/86/91/637198691.db2.gz SCYSGLILLBMIFW-LBPRGKRZSA-N 0 3 306.366 2.427 20 5 DEBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000928438906 637236715 /nfs/dbraw/zinc/23/67/15/637236715.db2.gz NDNFNNVMZZMDIV-QBEHZEROSA-N 0 3 303.362 2.207 20 5 DEBDHN C[C@@H]1CCCN1CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000742241015 637299282 /nfs/dbraw/zinc/29/92/82/637299282.db2.gz MXWRTAYEAHVKQI-SNVBAGLBSA-N 0 3 311.769 2.462 20 5 DEBDHN CCN(C[C@@H]1CCOC1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000738082387 637390366 /nfs/dbraw/zinc/39/03/66/637390366.db2.gz RQNVLQHBIQJPBO-LBPRGKRZSA-N 0 3 304.350 2.260 20 5 DEBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000841233503 637405440 /nfs/dbraw/zinc/40/54/40/637405440.db2.gz WFWBFDSUQYVYIU-DTWKUNHWSA-N 0 3 312.757 2.462 20 5 DEBDHN Cn1cnc(CCCNCc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000895095721 637551327 /nfs/dbraw/zinc/55/13/27/637551327.db2.gz MTPIFSKTRRODCI-UHFFFAOYSA-N 0 3 309.757 2.099 20 5 DEBDHN CCN1[C@H](C)CN(c2cc(F)c([N+](=O)[O-])cc2CO)C[C@@H]1C ZINC000895102413 637561915 /nfs/dbraw/zinc/56/19/15/637561915.db2.gz WBTQEVLLYBDFGM-PHIMTYICSA-N 0 3 311.357 2.145 20 5 DEBDHN O=[N+]([O-])c1ccc(NC(=S)N2CC[C@@H](N3CC=CC3)C2)cc1 ZINC000741859420 638019840 /nfs/dbraw/zinc/01/98/40/638019840.db2.gz AYLICNQVMHFCHW-CQSZACIVSA-N 0 3 318.402 2.238 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)N2CCCC2)c1C ZINC000895685961 638144948 /nfs/dbraw/zinc/14/49/48/638144948.db2.gz OQFVGNQSWYQKBT-GFCCVEGCSA-N 0 3 305.378 2.426 20 5 DEBDHN O=[N+]([O-])c1cnn(C2CC(NCc3nc4c(s3)CCC4)C2)c1 ZINC000896287206 638451298 /nfs/dbraw/zinc/45/12/98/638451298.db2.gz BPZWDANXNKXZJE-UHFFFAOYSA-N 0 3 319.390 2.230 20 5 DEBDHN COCCN(CC(C)C)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000749940619 638694741 /nfs/dbraw/zinc/69/47/41/638694741.db2.gz LKIUGPAGAINRRC-UHFFFAOYSA-N 0 3 321.381 2.210 20 5 DEBDHN O=C(N[C@H]1CCN(CC2CC2)C1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000749985900 638700832 /nfs/dbraw/zinc/70/08/32/638700832.db2.gz QGFNDEVGEFCULJ-NSHDSACASA-N 0 3 323.780 2.462 20 5 DEBDHN CCC(=O)N1CCC(N(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000985186571 639137352 /nfs/dbraw/zinc/13/73/52/639137352.db2.gz ANFOSCLVRNLENZ-UHFFFAOYSA-N 0 3 305.378 2.428 20 5 DEBDHN O=[N+]([O-])c1ccc(CNCCO[C@H]2CCOC2)cc1Cl ZINC000897200757 639236358 /nfs/dbraw/zinc/23/63/58/639236358.db2.gz BAPKXXSQXZWATN-NSHDSACASA-N 0 3 300.742 2.143 20 5 DEBDHN C[C@@H](NC(=O)N[C@@H]1CCN(C)[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000923983524 639721823 /nfs/dbraw/zinc/72/18/23/639721823.db2.gz SJWPECPPZDWMME-NTZNESFSSA-N 0 3 306.366 2.048 20 5 DEBDHN O=[N+]([O-])c1ccc(Cl)c(CN[C@@H](CO)[C@@H]2CCCOC2)c1 ZINC000839647597 639791374 /nfs/dbraw/zinc/79/13/74/639791374.db2.gz UPHUIVSZTDXXGO-YGRLFVJLSA-N 0 3 314.769 2.125 20 5 DEBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000757541996 639846174 /nfs/dbraw/zinc/84/61/74/639846174.db2.gz JHWSNVCSXMNNDI-HZMBPMFUSA-N 0 3 320.418 2.364 20 5 DEBDHN C[C@H](NCc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CN(C)CCO1 ZINC000761528453 640321344 /nfs/dbraw/zinc/32/13/44/640321344.db2.gz VIJVHYHUMXLMHC-HZMBPMFUSA-N 0 3 313.785 2.057 20 5 DEBDHN CC(=O)c1c([N+](=O)[O-])cccc1N1CC[C@H]2CC[C@@H](C1)N2C ZINC000763204825 640515076 /nfs/dbraw/zinc/51/50/76/640515076.db2.gz BCOLTZZSVINMKL-OLZOCXBDSA-N 0 3 303.362 2.470 20 5 DEBDHN COc1cc(C[NH2+]CCc2cccnc2C)c([N+](=O)[O-])cc1[O-] ZINC000898257459 641087153 /nfs/dbraw/zinc/08/71/53/641087153.db2.gz WBBURCUOZSYQLW-UHFFFAOYSA-N 0 3 317.345 2.345 20 5 DEBDHN O=C1OCCN1CCCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000768543753 641094420 /nfs/dbraw/zinc/09/44/20/641094420.db2.gz HZNOLHHTMOEBFN-UHFFFAOYSA-N 0 3 319.361 2.402 20 5 DEBDHN CCCN1CC[C@H](NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC000898977701 641875659 /nfs/dbraw/zinc/87/56/59/641875659.db2.gz LGMAFCFRSHYIFN-ZDUSSCGKSA-N 0 3 305.378 2.426 20 5 DEBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC(n3ccnc3)CC2)cc1 ZINC000776592006 642190708 /nfs/dbraw/zinc/19/07/08/642190708.db2.gz ODFHIPLCKBKXMU-INIZCTEOSA-N 0 3 316.361 2.162 20 5 DEBDHN Cc1nn(CN2CCC[C@H]2C2CCOCC2)c(C)c1[N+](=O)[O-] ZINC000776770842 642206282 /nfs/dbraw/zinc/20/62/82/642206282.db2.gz CAUJTFSLKHBEPB-AWEZNQCLSA-N 0 3 308.382 2.257 20 5 DEBDHN COc1cc([C@@H](C)NCCNC(=O)C(C)C)cc([N+](=O)[O-])c1 ZINC000903058536 643232702 /nfs/dbraw/zinc/23/27/02/643232702.db2.gz RNHFBNBGTHSJJK-LLVKDONJSA-N 0 3 309.366 2.026 20 5 DEBDHN COc1cc([C@@H](C)N[C@@H](C)CN2CCCC2=O)cc([N+](=O)[O-])c1 ZINC000903075776 643240429 /nfs/dbraw/zinc/24/04/29/643240429.db2.gz DIGPRAYARDJQAE-NWDGAFQWSA-N 0 3 321.377 2.265 20 5 DEBDHN CCO[C@@H]1COCC[C@H]1N[C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903154191 643269643 /nfs/dbraw/zinc/26/96/43/643269643.db2.gz UJYVFBVHTJQFSI-IUIKQTSFSA-N 0 3 324.377 2.448 20 5 DEBDHN CCO[C@@H]1COCC[C@@H]1N[C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903154193 643269706 /nfs/dbraw/zinc/26/97/06/643269706.db2.gz UJYVFBVHTJQFSI-XFBWCDHKSA-N 0 3 324.377 2.448 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC[C@H]1CC(=O)N(C)C1 ZINC000903209849 643288790 /nfs/dbraw/zinc/28/87/90/643288790.db2.gz GGFINQOWXKVYJN-NEPJUHHUSA-N 0 3 321.377 2.122 20 5 DEBDHN COc1cc([C@H](C)N[C@@H](CO)C[C@@H]2CCCO2)cc([N+](=O)[O-])c1 ZINC000903218260 643292608 /nfs/dbraw/zinc/29/26/08/643292608.db2.gz BWLUHHMGJHZENE-LNSITVRQSA-N 0 3 324.377 2.184 20 5 DEBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)C1(O)CCCC1 ZINC000905923431 644087526 /nfs/dbraw/zinc/08/75/26/644087526.db2.gz JRRJDAUCTZMFSP-INIZCTEOSA-N 0 3 322.405 2.471 20 5 DEBDHN Cc1ccc(-c2noc(C[C@@H]3CSCCN3)n2)cc1[N+](=O)[O-] ZINC000843178295 650917082 /nfs/dbraw/zinc/91/70/82/650917082.db2.gz AHBJGMMMINNKKS-LLVKDONJSA-N 0 3 320.374 2.201 20 5 DEBDHN CC[C@H](CO)NCc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000794916763 644492416 /nfs/dbraw/zinc/49/24/16/644492416.db2.gz SAQZBBNEXFLKNG-SECBINFHSA-N 0 3 320.292 2.065 20 5 DEBDHN COCC[C@@H](COC)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000811517641 646538442 /nfs/dbraw/zinc/53/84/42/646538442.db2.gz YCIVGUGQNSGZBF-NSHDSACASA-N 0 3 302.758 2.389 20 5 DEBDHN CC(COC(=O)c1ccc(C(=O)OC(C)(C)C)cc1)[N+](=O)[O-] ZINC000813101935 646728652 /nfs/dbraw/zinc/72/86/52/646728652.db2.gz LNQZHSXWVCPVRT-JTQLQIEISA-N 0 3 309.318 2.464 20 5 DEBDHN CC(COC(=O)c1ccc(F)cc1Br)[N+](=O)[O-] ZINC000813102288 646728819 /nfs/dbraw/zinc/72/88/19/646728819.db2.gz DHWUPUSARKOQSN-ZCFIWIBFSA-N 0 3 306.087 2.410 20 5 DEBDHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1Br ZINC000813106426 646729362 /nfs/dbraw/zinc/72/93/62/646729362.db2.gz BYUGUQCQPAGOCY-SSDOTTSWSA-N 0 3 318.123 2.280 20 5 DEBDHN COc1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1OC(F)F ZINC000813106447 646729523 /nfs/dbraw/zinc/72/95/23/646729523.db2.gz CFSNNEQMTBDTNS-ZETCQYMHSA-N 0 3 305.233 2.119 20 5 DEBDHN CC(COC(=O)c1cccc(COC2CCOCC2)c1)[N+](=O)[O-] ZINC000813109698 646730820 /nfs/dbraw/zinc/73/08/20/646730820.db2.gz NXMHCPKNCLAKAF-LBPRGKRZSA-N 0 3 323.345 2.204 20 5 DEBDHN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813114155 646732912 /nfs/dbraw/zinc/73/29/12/646732912.db2.gz ZHYMRLOQFXIHLU-NHYWBVRUSA-N 0 3 318.329 2.159 20 5 DEBDHN CN1C[C@@H]2CCN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])[C@@H]2C1 ZINC000816952959 647204530 /nfs/dbraw/zinc/20/45/30/647204530.db2.gz WLBADUKZJDQVGI-JOYOIKCWSA-N 0 3 309.753 2.024 20 5 DEBDHN Cc1c(CNC[C@H](O)c2ccc(F)cn2)cccc1[N+](=O)[O-] ZINC000819261489 647620045 /nfs/dbraw/zinc/62/00/45/647620045.db2.gz KZNGBEBEVFEAJG-HNNXBMFYSA-N 0 3 305.309 2.261 20 5 DEBDHN O=[N+]([O-])c1ccc([C@@H](O)CN[C@H]2COCc3ccccc32)cc1 ZINC000819373982 647645981 /nfs/dbraw/zinc/64/59/81/647645981.db2.gz KKQHLJRUVCSEDH-IRXDYDNUSA-N 0 3 314.341 2.489 20 5 DEBDHN CN(C)Cc1ccccc1CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822229833 648170513 /nfs/dbraw/zinc/17/05/13/648170513.db2.gz HSCHFCMCWUYGOV-UHFFFAOYSA-N 0 3 307.394 2.200 20 5 DEBDHN CC(C)CC(=O)CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000828439244 649179024 /nfs/dbraw/zinc/17/90/24/649179024.db2.gz FUCOJWRIPMLYGP-UHFFFAOYSA-N 0 3 308.382 2.434 20 5 DEBDHN CN(C)CCN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000828775180 649220468 /nfs/dbraw/zinc/22/04/68/649220468.db2.gz SPNLPJSQCREHSM-UHFFFAOYSA-N 0 3 311.769 2.414 20 5 DEBDHN O=C(CCN1C[C@H]2[C@@H](C1)C2(F)F)Nc1ccc([N+](=O)[O-])cc1 ZINC000844456784 651131521 /nfs/dbraw/zinc/13/15/21/651131521.db2.gz SNWRFWVEGNPMIT-TXEJJXNPSA-N 0 3 311.288 2.120 20 5 DEBDHN CC([C@H](OC(=O)c1cnn(C)c1)c1ccccc1F)[N+](=O)[O-] ZINC000845872564 651291227 /nfs/dbraw/zinc/29/12/27/651291227.db2.gz JSPXNEYZNTTZDX-RNCFNFMXSA-N 0 3 307.281 2.123 20 5 DEBDHN CC(COC(=O)[C@@H](c1ccc(Cl)cc1)N(C)C)[N+](=O)[O-] ZINC000847713742 651412639 /nfs/dbraw/zinc/41/26/39/651412639.db2.gz AHOPZJFNESMTAF-BXKDBHETSA-N 0 3 300.742 2.151 20 5 DEBDHN C[C@H](C(=O)Nc1ccc(N)c([N+](=O)[O-])c1)N1[C@H](C)CC[C@@H]1C ZINC000854497494 651489823 /nfs/dbraw/zinc/48/98/23/651489823.db2.gz QXSSBWPNFWNVJT-OUAUKWLOSA-N 0 3 306.366 2.377 20 5 DEBDHN CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@H](C)N1 ZINC000856407803 651921112 /nfs/dbraw/zinc/92/11/12/651921112.db2.gz BTIKQELTJDRUED-GXSJLCMTSA-N 0 3 311.769 2.461 20 5 DEBDHN CSc1cccc(C(=O)N[C@H]2CCN(C)[C@H]2C)c1[N+](=O)[O-] ZINC000928436089 693778599 /nfs/dbraw/zinc/77/85/99/693778599.db2.gz IMMXTCZJGGNPDS-ONGXEEELSA-N 0 3 309.391 2.139 20 5 DEBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1cccc([N+](=O)[O-])c1Cl ZINC000859284622 685698321 /nfs/dbraw/zinc/69/83/21/685698321.db2.gz MKHAWHVMRWXGKK-LLVKDONJSA-N 0 3 323.780 2.462 20 5 DEBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])c(C)n1C[C@H]1CCCOC1 ZINC000860776256 685959947 /nfs/dbraw/zinc/95/99/47/685959947.db2.gz CXRAYCVEYTUILO-TZMCWYRMSA-N 0 3 324.377 2.354 20 5 DEBDHN O=C(OCCC[N+](=O)[O-])C1CCN(Cc2ccccc2)CC1 ZINC000860918564 685975399 /nfs/dbraw/zinc/97/53/99/685975399.db2.gz MIZIVWUROACHLL-UHFFFAOYSA-N 0 3 306.362 2.109 20 5 DEBDHN CN1CC[C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3Cl)C[C@@H]21 ZINC000861901868 686203248 /nfs/dbraw/zinc/20/32/48/686203248.db2.gz CUIIWZQJMOTDSO-SKDRFNHKSA-N 0 3 309.753 2.024 20 5 DEBDHN CC[C@@H](C[C@@H](C)O)NCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000865871350 687363667 /nfs/dbraw/zinc/36/36/67/687363667.db2.gz BUTCUMNGUBSSMI-PWSUYJOCSA-N 0 3 312.366 2.251 20 5 DEBDHN C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])NCC(=O)NC1CCCC1 ZINC000866295421 687525666 /nfs/dbraw/zinc/52/56/66/687525666.db2.gz BKJMTLQACUDREE-NSHDSACASA-N 0 3 323.368 2.313 20 5 DEBDHN CN1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CCC1(C)C ZINC000871153793 688736418 /nfs/dbraw/zinc/73/64/18/688736418.db2.gz LWKWVKASTYQZNK-UHFFFAOYSA-N 0 3 309.341 2.290 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN[C@H](CO)C[C@@H](O)C(C)(C)C ZINC000873124842 689163849 /nfs/dbraw/zinc/16/38/49/689163849.db2.gz VJMGZYIXFCFONJ-XJKSGUPXSA-N 0 3 324.421 2.459 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN[C@@H](CO)C[C@@H](O)C(C)(C)C ZINC000873124841 689164019 /nfs/dbraw/zinc/16/40/19/689164019.db2.gz VJMGZYIXFCFONJ-CZUORRHYSA-N 0 3 324.421 2.459 20 5 DEBDHN CCc1ccc(C(=O)N2CC[C@@H]3[C@@H]2CCCN3C)cc1[N+](=O)[O-] ZINC000874838056 689511151 /nfs/dbraw/zinc/51/11/51/689511151.db2.gz MHPKYMOHCHXOOY-CABCVRRESA-N 0 3 317.389 2.466 20 5 DEBDHN COCCO[C@H]1CCN(Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877460233 690119727 /nfs/dbraw/zinc/11/97/27/690119727.db2.gz RKRHXIHWLLGENE-AWEZNQCLSA-N 0 3 308.378 2.449 20 5 DEBDHN CN1C[C@H]2[C@@H](CCN2C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000931297544 694360004 /nfs/dbraw/zinc/36/00/04/694360004.db2.gz KLVYWUGWYLNLCK-CABZTGNLSA-N 0 3 324.768 2.416 20 5 DEBDHN C[C@@](CO)(NC[C@H]1CC2(CCC2)CO1)c1cccc([N+](=O)[O-])c1 ZINC000879272202 690607993 /nfs/dbraw/zinc/60/79/93/690607993.db2.gz MFORFPLVTMTHJS-CVEARBPZSA-N 0 3 320.389 2.351 20 5 DEBDHN CC(C)(O)[C@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000879963096 690767866 /nfs/dbraw/zinc/76/78/66/690767866.db2.gz FTEYIRWLTDPJOI-DZGCQCFKSA-N 0 3 308.378 2.111 20 5 DEBDHN CCOc1cc(CN(C)[C@@H]2CCOC[C@@H]2OC)ccc1[N+](=O)[O-] ZINC000880437520 690898127 /nfs/dbraw/zinc/89/81/27/690898127.db2.gz MCRMFNNBXLCQNL-CJNGLKHVSA-N 0 3 324.377 2.229 20 5 DEBDHN CCN1CC[C@@H]1CNc1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1 ZINC000882960804 691397741 /nfs/dbraw/zinc/39/77/41/691397741.db2.gz WRKQKXKDVGBRFO-GFCCVEGCSA-N 0 3 307.350 2.196 20 5 DEBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@H](CO)C2CC2)c1 ZINC000883003120 691407681 /nfs/dbraw/zinc/40/76/81/691407681.db2.gz ZHEXDERMYPVIDV-LLVKDONJSA-N 0 3 302.277 2.057 20 5 DEBDHN CON(C)CCNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000883172984 691447992 /nfs/dbraw/zinc/44/79/92/691447992.db2.gz ZDMJXUCAXOUKRM-UHFFFAOYSA-N 0 3 305.334 2.438 20 5 DEBDHN C[C@@H](NCC[C@@H]1CCCS1(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000883305210 691477679 /nfs/dbraw/zinc/47/76/79/691477679.db2.gz REKYBWILMQOPMM-RISCZKNCSA-N 0 3 312.391 2.213 20 5 DEBDHN CC[C@@H](N[C@H]1C[C@H](S(C)(=O)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000883373805 691492480 /nfs/dbraw/zinc/49/24/80/691492480.db2.gz DBAUYQMRVNSFOW-MRVWCRGKSA-N 0 3 312.391 2.211 20 5 DEBDHN CS(=O)(=O)[C@H]1C[C@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000883375243 691493121 /nfs/dbraw/zinc/49/31/21/691493121.db2.gz HAAHBQKCNGORBK-UXIGCNINSA-N 0 3 324.402 2.137 20 5 DEBDHN O=[N+]([O-])c1ccc(Cl)cc1CN[C@@H](CO)C[C@H]1CCCO1 ZINC000886226822 692030490 /nfs/dbraw/zinc/03/04/90/692030490.db2.gz RZUAPVIBDJWZRH-CHWSQXEVSA-N 0 3 314.769 2.268 20 5 DEBDHN O=[N+]([O-])c1ccn(CCN2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)n1 ZINC000886613670 692133140 /nfs/dbraw/zinc/13/31/40/692133140.db2.gz AZIKOFXVXXHFEO-JQWIXIFHSA-N 0 3 318.299 2.456 20 5 DEBDHN C[C@@]1([C@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3)C2)COC(=O)N1 ZINC000932026455 694530825 /nfs/dbraw/zinc/53/08/25/694530825.db2.gz LNAKUZWVJNGLHS-BBRMVZONSA-N 0 3 319.361 2.305 20 5 DEBDHN COc1c([O-])ccc(C[NH2+]CC[C@@H]2CCCOC2)c1[N+](=O)[O-] ZINC000895560558 692997524 /nfs/dbraw/zinc/99/75/24/692997524.db2.gz LCAPEFLUPHXBJP-NSHDSACASA-N 0 3 310.350 2.215 20 5 DEBDHN C[C@@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000932339699 694596092 /nfs/dbraw/zinc/59/60/92/694596092.db2.gz ZTIMBIRUOPDKSF-GFCCVEGCSA-N 0 3 307.350 2.034 20 5 DEBDHN COc1ccc(NC(=O)NC[C@H]2CCCCN2C)cc1[N+](=O)[O-] ZINC001345843158 1150920509 /nfs/dbraw/zinc/92/05/09/1150920509.db2.gz WTWIVKZFSMZPCZ-GFCCVEGCSA-N 0 3 322.365 2.209 20 5 DEBDHN CCN(C(=O)Nc1cc(C)cc([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC001350263108 1151339165 /nfs/dbraw/zinc/33/91/65/1151339165.db2.gz VGSJLZDUTZTWCT-CYBMUJFWSA-N 0 3 306.366 2.461 20 5 DEBDHN CN1CCCC[C@H]1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001353893479 1151860803 /nfs/dbraw/zinc/86/08/03/1151860803.db2.gz KPZVABWHGUCQQL-HNNXBMFYSA-N 0 3 319.405 2.473 20 5 DEBDHN C[C@@H](NC(=O)NC[C@H]1CCCCN1C)c1ccccc1[N+](=O)[O-] ZINC001354200900 1151876865 /nfs/dbraw/zinc/87/68/65/1151876865.db2.gz BVFZQAJWGRPFBU-CHWSQXEVSA-N 0 3 320.393 2.439 20 5 DEBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN[C@H](C)[C@H]1C ZINC001122017199 782418942 /nfs/dbraw/zinc/41/89/42/782418942.db2.gz IIUJTWGNJZRCGR-NXEZZACHSA-N 0 3 309.391 2.139 20 5 DEBDHN COc1ccc(CNC(=O)[C@@H](N)C2CCCCC2)cc1[N+](=O)[O-] ZINC001332434471 1149859598 /nfs/dbraw/zinc/85/95/98/1149859598.db2.gz BJQHBMHHZYASFW-HNNXBMFYSA-N 0 3 321.377 2.127 20 5 DEBDHN CC1(C(=O)N[C@H]2C[C@H](CNCc3csc([N+](=O)[O-])c3)C2)CC1 ZINC000983715514 779158704 /nfs/dbraw/zinc/15/87/04/779158704.db2.gz IEWQDKZHIIXGKA-UMSPYCQHSA-N 0 3 323.418 2.441 20 5 DEBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CC[C@@H](N3CCCCC3)[C@@H](F)C2)C1 ZINC001169051941 785023014 /nfs/dbraw/zinc/02/30/14/785023014.db2.gz DPJGTFKWUHYOOT-LVQVYYBASA-N 0 3 313.417 2.330 20 5 DEBDHN COc1ccc(C[C@H](C)NCc2ccnc(C)n2)c([N+](=O)[O-])c1 ZINC001170304963 786897025 /nfs/dbraw/zinc/89/70/25/786897025.db2.gz INYYTLIKKVVTLV-NSHDSACASA-N 0 3 316.361 2.423 20 5 DEBDHN COc1ccc(C[C@@H](C)N2CCC(CO)CC2)c([N+](=O)[O-])c1 ZINC001170334582 786912425 /nfs/dbraw/zinc/91/24/25/786912425.db2.gz GZUAXBLJDYUPLD-GFCCVEGCSA-N 0 3 308.378 2.239 20 5 DEBDHN C[C@@H](N)c1ccn(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)n1 ZINC001158348866 787616904 /nfs/dbraw/zinc/61/69/04/787616904.db2.gz MEOAGKWSWJSLTF-ZCFIWIBFSA-N 0 3 317.683 2.457 20 5 DEBDHN Cc1ccc2c(ccnc2N[C@@H](C)[C@@H]2CNCCO2)c1[N+](=O)[O-] ZINC001170561180 787623847 /nfs/dbraw/zinc/62/38/47/787623847.db2.gz CNIDARYOHJMPDV-FZMZJTMJSA-N 0 3 316.361 2.240 20 5 DEBDHN C[C@@H](Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@H]1CNCCO1 ZINC001170567588 787643700 /nfs/dbraw/zinc/64/37/00/787643700.db2.gz KOFPDIXFEOCUIG-PRHODGIISA-N 0 3 319.283 2.402 20 5 DEBDHN CCOc1nc(N2CCN(C)CC23CCCC3)ccc1[N+](=O)[O-] ZINC001158410193 787657482 /nfs/dbraw/zinc/65/74/82/787657482.db2.gz NJRPSUHYWLWVKF-UHFFFAOYSA-N 0 3 320.393 2.453 20 5 DEBDHN Cc1cc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)c(C)[nH]1 ZINC001134423275 788912500 /nfs/dbraw/zinc/91/25/00/788912500.db2.gz CHFNQMBQOZXLKZ-UHFFFAOYSA-N 0 3 316.361 2.059 20 5 DEBDHN CC1(CCC(=O)NCCNCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001146463860 791285471 /nfs/dbraw/zinc/28/54/71/791285471.db2.gz DFZDEETYNHREET-UHFFFAOYSA-N 0 3 305.378 2.381 20 5 DEBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N[C@@H](CO)c1ccccn1 ZINC001173219292 793636032 /nfs/dbraw/zinc/63/60/32/793636032.db2.gz MXMMNXBNMKFSBT-WBMJQRKESA-N 0 3 301.346 2.244 20 5 DEBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N[C@@H](CO)c1ccccn1 ZINC001173219288 793636127 /nfs/dbraw/zinc/63/61/27/793636127.db2.gz MXMMNXBNMKFSBT-LRDDRELGSA-N 0 3 301.346 2.244 20 5 DEBDHN COCCn1cnc(CN[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173225683 793642810 /nfs/dbraw/zinc/64/28/10/793642810.db2.gz USLAOUVMPSYUHY-ZDUSSCGKSA-N 0 3 318.377 2.159 20 5 DEBDHN CCCN1CC[C@@H](NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])C1 ZINC001118735722 795220929 /nfs/dbraw/zinc/22/09/29/795220929.db2.gz MGTOACHRZBBVHZ-GFCCVEGCSA-N 0 3 309.341 2.256 20 5 DEBDHN O=C(/C=C/c1ccco1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001122734306 795799360 /nfs/dbraw/zinc/79/93/60/795799360.db2.gz HGCLACYKKQVRDV-VOTSOKGWSA-N 0 3 315.329 2.107 20 5 DEBDHN Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@H]3CCCN(C)[C@H]3C2)n1 ZINC001157264316 798171998 /nfs/dbraw/zinc/17/19/98/798171998.db2.gz FCXDKAYKFBNIIB-PWSUYJOCSA-N 0 3 310.785 2.482 20 5 DEBDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1ccc([N+](=O)[O-])c(N)n1 ZINC001159595551 798585552 /nfs/dbraw/zinc/58/55/52/798585552.db2.gz NXIYXUKTUIYMQU-JTQLQIEISA-N 0 3 324.344 2.444 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(N2CCN[C@H](c3ccc(O)cc3)C2)n1 ZINC001164036277 799492180 /nfs/dbraw/zinc/49/21/80/799492180.db2.gz DMXPAUGTIGQQIS-AWEZNQCLSA-N 0 3 314.345 2.155 20 5 DEBDHN CC[N+](C)(C)Cc1ccccc1NCCCc1c[n-][nH]c1=O ZINC001164381810 799590073 /nfs/dbraw/zinc/59/00/73/799590073.db2.gz FAXRPGOHAMGJMP-AWEZNQCLSA-O 0 3 303.430 2.207 20 5 DEBDHN CSCC(C)(C)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000934671979 800420035 /nfs/dbraw/zinc/42/00/35/800420035.db2.gz DISJXDZWWDZPMJ-UHFFFAOYSA-N 0 3 323.418 2.215 20 5 DEBDHN Cc1c(CNC(=O)[C@@H]2CCCN2C(C)C)cccc1[N+](=O)[O-] ZINC000935611652 800712042 /nfs/dbraw/zinc/71/20/42/800712042.db2.gz ICTGXKYZXUNKFF-HNNXBMFYSA-N 0 3 305.378 2.392 20 5 DEBDHN CCOC(=O)c1ccc(OC2CCN(C)CC2)cc1[N+](=O)[O-] ZINC001230912280 801529221 /nfs/dbraw/zinc/52/92/21/801529221.db2.gz FCQVERISEIVRTD-UHFFFAOYSA-N 0 3 308.334 2.245 20 5 DEBDHN CCOC(=O)c1c(Cl)[n-]c(=O)cc1O[C@H](C)C[N+](C)(C)C ZINC001231088322 801574904 /nfs/dbraw/zinc/57/49/04/801574904.db2.gz NOISBUZGATXDJC-SECBINFHSA-O 0 3 317.793 2.091 20 5 DEBDHN O=[N+]([O-])c1c2c(cc(Br)c1OC1CNC1)CCC2 ZINC001218053320 802137352 /nfs/dbraw/zinc/13/73/52/802137352.db2.gz WXLAAGLDISGIIH-UHFFFAOYSA-N 0 3 313.151 2.197 20 5 DEBDHN CO[C@@H]1CCN(CCOc2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC001228257917 803336226 /nfs/dbraw/zinc/33/62/26/803336226.db2.gz OBSYKOGZWFOEFQ-GFCCVEGCSA-N 0 3 300.742 2.348 20 5 DEBDHN CCN1CC[C@H](Oc2c3ccccc3oc(=O)c2[N+](=O)[O-])C1 ZINC001228801876 803416138 /nfs/dbraw/zinc/41/61/38/803416138.db2.gz BBVKPNAGCYETTQ-JTQLQIEISA-N 0 3 304.302 2.174 20 5 DEBDHN COC(=O)COc1ccc(CNC/C=C\C2CC2)cc1[N+](=O)[O-] ZINC001343897306 1150782605 /nfs/dbraw/zinc/78/26/05/1150782605.db2.gz XFCAEUIULTYGCG-IHWYPQMZSA-N 0 3 320.345 2.202 20 5 DEBDHN Cc1cc(C(=O)NC2(c3ccccc3)CNC2)ccc1[N+](=O)[O-] ZINC001579564084 1067372807 /nfs/dbraw/zinc/37/28/07/1067372807.db2.gz YAFKBYGIRPEHPH-UHFFFAOYSA-N 0 3 311.341 2.132 20 5 DEBDHN CN1C[C@H](NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC001639135140 1078596111 /nfs/dbraw/zinc/59/61/11/1078596111.db2.gz FPLNMPQYEHSNMI-PIZKADEWSA-N 0 3 303.362 2.064 20 5 DEBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CCN[C@@H](c2ccccc2)C1 ZINC001643213489 1078791108 /nfs/dbraw/zinc/79/11/08/1078791108.db2.gz DUYBEDXHRUHSHM-CQSZACIVSA-N 0 3 315.377 2.271 20 5 DEBDHN C[C@@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@@H]1C ZINC001590261351 1076603402 /nfs/dbraw/zinc/60/34/02/1076603402.db2.gz NAAYFRNRXCIJRJ-GHMZBOCLSA-N 0 3 316.365 2.395 20 5 DEBDHN C[C@@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@@H]1C ZINC001590261351 1076603404 /nfs/dbraw/zinc/60/34/04/1076603404.db2.gz NAAYFRNRXCIJRJ-GHMZBOCLSA-N 0 3 316.365 2.395 20 5 DEBDHN C[N@H+](Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])CC(C)(C)C ZINC001591126381 1076710183 /nfs/dbraw/zinc/71/01/83/1076710183.db2.gz SUPPUKAZNBVQAG-UHFFFAOYSA-N 0 3 304.354 2.253 20 5 DEBDHN C[N@@H+](Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])CC(C)(C)C ZINC001591126381 1076710185 /nfs/dbraw/zinc/71/01/85/1076710185.db2.gz SUPPUKAZNBVQAG-UHFFFAOYSA-N 0 3 304.354 2.253 20 5 DEBDHN Cc1cccc(CN2CC[C@H](Nc3nn(C)cc3[N+](=O)[O-])C2)c1 ZINC001655724482 1080015484 /nfs/dbraw/zinc/01/54/84/1080015484.db2.gz ZNYGVUADRDHDKN-AWEZNQCLSA-N 0 3 315.377 2.323 20 5 DEBDHN CN1CCCC[C@@H]1CNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001659035141 1080227101 /nfs/dbraw/zinc/22/71/01/1080227101.db2.gz JESHDXPPTHJRQJ-GFCCVEGCSA-N 0 3 304.350 2.310 20 5 DEBDHN CC(C)(C)/C=C/C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001124883102 1080510403 /nfs/dbraw/zinc/51/04/03/1080510403.db2.gz MTNIUKRZNVTFJR-BQYQJAHWSA-N 0 3 305.378 2.403 20 5 DEBDHN C[C@@H]1COC[C@@H]1NCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000710869100 1086689199 /nfs/dbraw/zinc/68/91/99/1086689199.db2.gz KHFPWGWTIRJYMQ-KCJUWKMLSA-N 0 3 315.167 2.482 20 5 DEBDHN CN1CCC[C@H]1CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000823774731 1090698086 /nfs/dbraw/zinc/69/80/86/1090698086.db2.gz VJDDRGYUQQRSBZ-VIFPVBQESA-N 0 3 315.732 2.211 20 5 DEBDHN Cn1cc2c(n1)CCC[C@@H]2NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001338408846 1142854129 /nfs/dbraw/zinc/85/41/29/1142854129.db2.gz WQJAXNBGGFQGRL-GOEBONIOSA-N 0 3 316.361 2.029 20 5 DEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2C[C@H]2C2CCC2)cc1 ZINC001338553184 1142863028 /nfs/dbraw/zinc/86/30/28/1142863028.db2.gz WJXLLUPGCFIESW-LSDHHAIUSA-N 0 3 324.402 2.147 20 5 DEBDHN CN1CCCC[C@@H]1CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001339262647 1143000706 /nfs/dbraw/zinc/00/07/06/1143000706.db2.gz CGTHAHNTKIMJKE-GFCCVEGCSA-N 0 3 316.361 2.290 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](NCc1ccc(Cl)nn1)C2 ZINC001254579599 1143260956 /nfs/dbraw/zinc/26/09/56/1143260956.db2.gz UELLGXZTYPFKDS-LBPRGKRZSA-N 0 3 304.737 2.295 20 5 DEBDHN CN1CCCC[C@@H]1CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001342868433 1143840469 /nfs/dbraw/zinc/84/04/69/1143840469.db2.gz IPKFRYMKYOXEFI-OAHLLOKOSA-N 0 3 318.377 2.104 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCCC[C@@H]1[C@H]1CCCO1 ZINC001308159021 1147449888 /nfs/dbraw/zinc/44/98/88/1147449888.db2.gz FZUUJDHTGXWJQR-ZIAGYGMSSA-N 0 3 308.382 2.133 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1CN1CCN(CC2CC2)CC1 ZINC000076770864 185039517 /nfs/dbraw/zinc/03/95/17/185039517.db2.gz MHGUNKRQKOXMNG-UHFFFAOYSA-N 0 3 305.378 2.131 20 5 DEBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C12CCCN1CCC2 ZINC000278542419 214224869 /nfs/dbraw/zinc/22/48/69/214224869.db2.gz FQXMHNUYJQOJKI-UHFFFAOYSA-N 0 3 303.362 2.182 20 5 DEBDHN C[C@H]1CN(C2CCOCC2)CCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000278734446 214364025 /nfs/dbraw/zinc/36/40/25/214364025.db2.gz LETWRYNEDDWGOE-LBPRGKRZSA-N 0 3 323.368 2.423 20 5 DEBDHN CCc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc1[N+](=O)[O-] ZINC000173496079 282190618 /nfs/dbraw/zinc/19/06/18/282190618.db2.gz ZAFIIEQDSIXGQF-CABCVRRESA-N 0 3 317.389 2.466 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000272750230 210154722 /nfs/dbraw/zinc/15/47/22/210154722.db2.gz ODHOMOZYAXUFKP-GFCCVEGCSA-N 0 3 303.362 2.283 20 5 DEBDHN Cc1ccc([C@H](C)NCCn2ccc([N+](=O)[O-])n2)cc1[N+](=O)[O-] ZINC000181809321 199355009 /nfs/dbraw/zinc/35/50/09/199355009.db2.gz OXTNVXMIBLXSOV-NSHDSACASA-N 0 3 319.321 2.359 20 5 DEBDHN CS[C@H]1CN(c2ccc(N)cc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000286802545 219174572 /nfs/dbraw/zinc/17/45/72/219174572.db2.gz KNXAKEAOAUSUJH-CABCVRRESA-N 0 3 322.434 2.193 20 5 DEBDHN CCC1(CC)[C@H](N(C)CCn2cc([N+](=O)[O-])cn2)C[C@@H]1OC ZINC000140657313 186027486 /nfs/dbraw/zinc/02/74/86/186027486.db2.gz IREYWXLNUUYGCD-KGLIPLIRSA-N 0 3 310.398 2.317 20 5 DEBDHN CCC1(CC)[C@H](N(C)CCn2ccc([N+](=O)[O-])n2)C[C@@H]1OC ZINC000140655340 186028004 /nfs/dbraw/zinc/02/80/04/186028004.db2.gz UHEJTBKXWZNBAD-OLZOCXBDSA-N 0 3 310.398 2.317 20 5 DEBDHN COc1ccc(OCCN2CCCC[C@H]2CCO)c([N+](=O)[O-])c1 ZINC000173660163 198237589 /nfs/dbraw/zinc/23/75/89/198237589.db2.gz WEPQKZOECDAEET-ZDUSSCGKSA-N 0 3 324.377 2.219 20 5 DEBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000182092917 199385002 /nfs/dbraw/zinc/38/50/02/199385002.db2.gz SPYQGCSJSBKCSG-GFCCVEGCSA-N 0 3 317.345 2.438 20 5 DEBDHN O=[N+]([O-])c1ccccc1OCCN(C1CC1)C1(CO)CCC1 ZINC000595540181 358478303 /nfs/dbraw/zinc/47/83/03/358478303.db2.gz ORAMGFSXRBFVIM-UHFFFAOYSA-N 0 3 306.362 2.353 20 5 DEBDHN CCN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@@H]1CCOC1 ZINC000052072120 354393569 /nfs/dbraw/zinc/39/35/69/354393569.db2.gz RNIRAOJVSKJLIN-LBPRGKRZSA-N 0 3 322.361 2.320 20 5 DEBDHN C[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000067272114 354755169 /nfs/dbraw/zinc/75/51/69/354755169.db2.gz RCJXJLCDAHCIJL-CYBMUJFWSA-N 0 3 305.378 2.445 20 5 DEBDHN COC1CCN(CCNc2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000618155114 363396580 /nfs/dbraw/zinc/39/65/80/363396580.db2.gz HSJXIEBKOSNBJP-UHFFFAOYSA-N 0 3 320.393 2.086 20 5 DEBDHN CCN1CCC[C@H]1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000072501364 354902620 /nfs/dbraw/zinc/90/26/20/354902620.db2.gz USQYTJOEEXKISL-ZDUSSCGKSA-N 0 3 323.418 2.287 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000080640986 355377294 /nfs/dbraw/zinc/37/72/94/355377294.db2.gz JWCSYSCGPGVCDC-MRXNPFEDSA-N 0 3 318.421 2.119 20 5 DEBDHN CN1CC[C@@H]2[C@H](CCCN2c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000269099485 283099721 /nfs/dbraw/zinc/09/97/21/283099721.db2.gz QJGNQHKSXTUZTC-GHMZBOCLSA-N 0 3 321.406 2.225 20 5 DEBDHN Cc1c(CN(CCOCCO)C2CCC2)cccc1[N+](=O)[O-] ZINC000595597848 358496643 /nfs/dbraw/zinc/49/66/43/358496643.db2.gz BHWMDSJITZRGDJ-UHFFFAOYSA-N 0 3 308.378 2.267 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1CCCN(C)C1 ZINC000123177217 355804264 /nfs/dbraw/zinc/80/42/64/355804264.db2.gz OGVGRNRAJVCDFY-NSHDSACASA-N 0 3 322.365 2.067 20 5 DEBDHN CC[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H]1CCCO1 ZINC000182279840 356119523 /nfs/dbraw/zinc/11/95/23/356119523.db2.gz GDHPDBIIBMOBAE-UKRRQHHQSA-N 0 3 321.377 2.389 20 5 DEBDHN CCOC(=O)C[C@@H](C)N(C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000182630765 356133968 /nfs/dbraw/zinc/13/39/68/356133968.db2.gz JAXRJCXEWUAWFA-GFCCVEGCSA-N 0 3 310.350 2.247 20 5 DEBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000080771534 192189354 /nfs/dbraw/zinc/18/93/54/192189354.db2.gz ZNONJOLLCHURPR-RISCZKNCSA-N 0 3 306.366 2.399 20 5 DEBDHN CC(C)COC[C@@H](O)CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581677197 357229626 /nfs/dbraw/zinc/22/96/26/357229626.db2.gz TWPUTVQOZRMKCO-WFASDCNBSA-N 0 3 308.378 2.205 20 5 DEBDHN O=[N+]([O-])c1ccc(CN[C@@H]([C@@H]2CCCO2)C2(CO)CCC2)cc1 ZINC000589521055 357476288 /nfs/dbraw/zinc/47/62/88/357476288.db2.gz AUXFUZBGIQKBPB-HOTGVXAUSA-N 0 3 320.389 2.395 20 5 DEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@H]2CCN(C)[C@H]2C1 ZINC000590830304 357623168 /nfs/dbraw/zinc/62/31/68/357623168.db2.gz GMJUXDQEBIKSDZ-DOMZBBRYSA-N 0 3 318.377 2.379 20 5 DEBDHN CCO[C@H]1C[C@@H](NCc2c([N+](=O)[O-])ncn2C)C12CCCC2 ZINC000590739509 357595377 /nfs/dbraw/zinc/59/53/77/357595377.db2.gz OQGTUIXDRBOENO-OLZOCXBDSA-N 0 3 308.382 2.156 20 5 DEBDHN O=C(CCN1CCC[C@@H]2COC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000591040951 357665634 /nfs/dbraw/zinc/66/56/34/357665634.db2.gz KHANVRIUHHKUOY-DOMZBBRYSA-N 0 3 319.361 2.034 20 5 DEBDHN CC(C)(C)N1CCCN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000591458938 357726129 /nfs/dbraw/zinc/72/61/29/357726129.db2.gz QYVYSXYDKLNYAT-UHFFFAOYSA-N 0 3 320.393 2.004 20 5 DEBDHN CCOc1ccc(CNCCn2cc([N+](=O)[O-])cn2)c(C)c1 ZINC000594930013 540261565 /nfs/dbraw/zinc/26/15/65/540261565.db2.gz AFGCXZIWHOQJTP-UHFFFAOYSA-N 0 3 304.350 2.288 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000591515452 357732270 /nfs/dbraw/zinc/73/22/70/357732270.db2.gz KEJLIASTEVHCET-KRWDZBQOSA-N 0 3 317.389 2.379 20 5 DEBDHN COC[C@@H](C)N(C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000179365941 199022607 /nfs/dbraw/zinc/02/26/07/199022607.db2.gz FVXVKUIOOAQBTA-GFCCVEGCSA-N 0 3 318.377 2.462 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC[C@@]1(O)CCCOC1 ZINC000593719616 358129979 /nfs/dbraw/zinc/12/99/79/358129979.db2.gz GEKJYDVKGXQIHF-CJNGLKHVSA-N 0 3 308.378 2.485 20 5 DEBDHN CCC(C)(C)N1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000594390208 358254437 /nfs/dbraw/zinc/25/44/37/358254437.db2.gz UJFDWHUUHVVFDA-UHFFFAOYSA-N 0 3 319.405 2.470 20 5 DEBDHN CN(c1ccccc1)[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000595825276 358557058 /nfs/dbraw/zinc/55/70/58/358557058.db2.gz DTDVLZDFZKESSH-OAHLLOKOSA-N 0 3 315.377 2.002 20 5 DEBDHN Cc1nn(C)c(N2CCN(C)C3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000596250585 358651936 /nfs/dbraw/zinc/65/19/36/358651936.db2.gz GRMOHPSXVHBKIM-UHFFFAOYSA-N 0 3 307.398 2.091 20 5 DEBDHN COC(=O)c1cnc(N[C@@H]2CCN(C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000596337150 358669215 /nfs/dbraw/zinc/66/92/15/358669215.db2.gz VAPFUEFWYYBCCQ-LLVKDONJSA-N 0 3 322.365 2.061 20 5 DEBDHN CC(C)(C)N1CC[C@@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000597925942 359044399 /nfs/dbraw/zinc/04/43/99/359044399.db2.gz YXUUGHRVPXIFHT-LLVKDONJSA-N 0 3 309.341 2.337 20 5 DEBDHN CN1CC[C@]2(C1)CCCN(C(=O)c1ccc([N+](=O)[O-])s1)C2 ZINC000597713092 358985571 /nfs/dbraw/zinc/98/55/71/358985571.db2.gz CCYVVEGPTNADSC-AWEZNQCLSA-N 0 3 309.391 2.214 20 5 DEBDHN CC(C)[C@@H]1CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCN1 ZINC000598569706 359244988 /nfs/dbraw/zinc/24/49/88/359244988.db2.gz CYGITUJHFXJOTJ-ZDUSSCGKSA-N 0 3 316.361 2.146 20 5 DEBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@H]2COC[C@H]2O)s1 ZINC000601139465 359937622 /nfs/dbraw/zinc/93/76/22/359937622.db2.gz HRRJOYFDXSVWON-GXTWGEPZSA-N 0 3 320.370 2.173 20 5 DEBDHN CCN(CCNCc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000602530187 360420375 /nfs/dbraw/zinc/42/03/75/360420375.db2.gz XBAHDLIXZHJTQA-UHFFFAOYSA-N 0 3 304.350 2.310 20 5 DEBDHN COc1ncc(CNCCOc2ccc([N+](=O)[O-])cc2)s1 ZINC000602539840 360423743 /nfs/dbraw/zinc/42/37/43/360423743.db2.gz LJKREFPXBUYCNM-UHFFFAOYSA-N 0 3 309.347 2.229 20 5 DEBDHN CN(C)CCN(CCc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCO1 ZINC000602658455 360479679 /nfs/dbraw/zinc/47/96/79/360479679.db2.gz YDCCUWYPRKEVEI-QGZVFWFLSA-N 0 3 321.421 2.180 20 5 DEBDHN O=[N+]([O-])c1ccc2oc(CN[C@H]3CCn4ccnc4C3)nc2c1 ZINC000602623308 360461765 /nfs/dbraw/zinc/46/17/65/360461765.db2.gz OMHWJWYDGQEBCY-JTQLQIEISA-N 0 3 313.317 2.037 20 5 DEBDHN COC(=O)[C@@]1(C)CN(CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000602925752 360628601 /nfs/dbraw/zinc/62/86/01/360628601.db2.gz BDSOPAYILSKBFU-LRDDRELGSA-N 0 3 322.361 2.105 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(N2CCN(c3ccncc3)CC2)c1 ZINC000610272905 361377595 /nfs/dbraw/zinc/37/75/95/361377595.db2.gz UPHCJIGFZQAKQZ-UHFFFAOYSA-N 0 3 314.345 2.325 20 5 DEBDHN C[C@@H]1C[C@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000611278719 361569827 /nfs/dbraw/zinc/56/98/27/361569827.db2.gz PZHYVHBQIQCNDD-ZYHUDNBSSA-N 0 3 308.334 2.023 20 5 DEBDHN C[C@H](NC[C@@H](O)COCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000292875138 223285814 /nfs/dbraw/zinc/28/58/14/223285814.db2.gz HYSLKJCPVNEBLJ-JOYOIKCWSA-N 0 3 322.283 2.185 20 5 DEBDHN CN1CCC(N2CC[C@H](Nc3sccc3[N+](=O)[O-])C2)CC1 ZINC000611411950 361594868 /nfs/dbraw/zinc/59/48/68/361594868.db2.gz JDSXHWCSGJXDPG-NSHDSACASA-N 0 3 310.423 2.237 20 5 DEBDHN CC[C@H]1CN(C)CCCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000619567145 363827773 /nfs/dbraw/zinc/82/77/73/363827773.db2.gz VGULWEMTQZSEIB-AWEZNQCLSA-N 0 3 305.378 2.080 20 5 DEBDHN O=[N+]([O-])c1ccccc1CCNCc1cnn(CC(F)F)c1 ZINC000292914001 223306659 /nfs/dbraw/zinc/30/66/59/223306659.db2.gz GGWDVFYFNGIEJB-UHFFFAOYSA-N 0 3 310.304 2.389 20 5 DEBDHN CCn1cccc(CN[C@@H](C)Cc2ccccc2[N+](=O)[O-])c1=O ZINC000449291264 240318257 /nfs/dbraw/zinc/31/82/57/240318257.db2.gz KDQJJTPXAYYQOT-ZDUSSCGKSA-N 0 3 315.373 2.497 20 5 DEBDHN C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CCN1C ZINC000091437629 193056276 /nfs/dbraw/zinc/05/62/76/193056276.db2.gz RGSCNHSCPMJRNP-NXEZZACHSA-N 0 3 311.769 2.461 20 5 DEBDHN Cc1ccc(CN2CCC[C@@H]2CN2CCOCC2)cc1[N+](=O)[O-] ZINC000092218034 193174778 /nfs/dbraw/zinc/17/47/78/193174778.db2.gz INKXHQAZDRTPFE-MRXNPFEDSA-N 0 3 319.405 2.200 20 5 DEBDHN CSC[C@@H](O)CN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550834 243108774 /nfs/dbraw/zinc/10/87/74/243108774.db2.gz SEQTTWDNYGIHEU-ZFWWWQNUSA-N 0 3 310.419 2.498 20 5 DEBDHN CCC[C@](C)(N)C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000262711647 203389136 /nfs/dbraw/zinc/38/91/36/203389136.db2.gz QTHMWQSEKRUWPF-HNNXBMFYSA-N 0 3 317.349 2.441 20 5 DEBDHN CCC(CC)(CCO)NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000282441747 216998592 /nfs/dbraw/zinc/99/85/92/216998592.db2.gz KZETXJPVGCXQOB-UHFFFAOYSA-N 0 3 323.393 2.088 20 5 DEBDHN COc1ccc(CN(C)C2CCN(OC)CC2)cc1[N+](=O)[O-] ZINC000453627970 245231414 /nfs/dbraw/zinc/23/14/14/245231414.db2.gz VLXGJHDZFRVUIH-UHFFFAOYSA-N 0 3 309.366 2.061 20 5 DEBDHN CCCCOC[C@@H](O)CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282461850 217013161 /nfs/dbraw/zinc/01/31/61/217013161.db2.gz MVYLIWWXKVQFGX-INIZCTEOSA-N 0 3 310.394 2.247 20 5 DEBDHN COCCCn1nccc1CNCCc1cccc([N+](=O)[O-])c1 ZINC000282808879 217265238 /nfs/dbraw/zinc/26/52/38/217265238.db2.gz ZWYQURIROJBNDV-UHFFFAOYSA-N 0 3 318.377 2.160 20 5 DEBDHN COc1cccc(NC[C@]2(N(C)C)CCSC2)c1[N+](=O)[O-] ZINC000274684476 211829189 /nfs/dbraw/zinc/82/91/89/211829189.db2.gz JKWHJDKJXBUFSU-CQSZACIVSA-N 0 3 311.407 2.453 20 5 DEBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000492164205 249009644 /nfs/dbraw/zinc/00/96/44/249009644.db2.gz QIEOOBOUTXQRJX-BFPHQBHNSA-N 0 3 315.373 2.207 20 5 DEBDHN CC(C)CN(CCN(C)C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000104529613 194014559 /nfs/dbraw/zinc/01/45/59/194014559.db2.gz RKMYJIREFWPAGK-UHFFFAOYSA-N 0 3 311.357 2.394 20 5 DEBDHN C[C@@H](NC(=O)N1CCC[C@H](N(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000105159712 194081243 /nfs/dbraw/zinc/08/12/43/194081243.db2.gz NUCVCJFZMQNTCR-DOMZBBRYSA-N 0 3 320.393 2.391 20 5 DEBDHN CCOC(=O)N1CC[C@@H](N[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000285146196 218308836 /nfs/dbraw/zinc/30/88/36/218308836.db2.gz LZXITQFXQARVKV-ZYHUDNBSSA-N 0 3 322.365 2.058 20 5 DEBDHN C[C@]1(NC[C@H](O)c2cccc([N+](=O)[O-])c2)CCO[C@@H]1C1CC1 ZINC000273014248 210393290 /nfs/dbraw/zinc/39/32/90/210393290.db2.gz CNJOVGBGRPANHM-XHSDSOJGSA-N 0 3 306.362 2.175 20 5 DEBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CNCCO2)c(C(F)(F)F)c1 ZINC000157402948 197184337 /nfs/dbraw/zinc/18/43/37/197184337.db2.gz PCOIXBWFDBLMCN-VIFPVBQESA-N 0 3 305.256 2.014 20 5 DEBDHN O=C(CN[C@@H](CO)C1CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000541982760 285203943 /nfs/dbraw/zinc/20/39/43/285203943.db2.gz JETHQAAHGFNIQM-AWEZNQCLSA-N 0 3 321.377 2.064 20 5 DEBDHN Cc1c([C@H](C)N[C@H](C)CN2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000155005771 197012409 /nfs/dbraw/zinc/01/24/09/197012409.db2.gz ZFVKZEUQHQJFDF-HIFRSBDPSA-N 0 3 320.437 2.190 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1CN1CC[C@H](O)C12CCCC2 ZINC000292847705 533219141 /nfs/dbraw/zinc/21/91/41/533219141.db2.gz VKHOBARVUAGGSD-HNNXBMFYSA-N 0 3 306.362 2.483 20 5 DEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCCN1C ZINC000289881309 221289183 /nfs/dbraw/zinc/28/91/83/221289183.db2.gz SIRGWWFEQFEZQC-CYBMUJFWSA-N 0 3 306.366 2.373 20 5 DEBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNCCc2cnccn2)c1 ZINC000341259892 132637048 /nfs/dbraw/zinc/63/70/48/132637048.db2.gz MCKLNTGYTACZME-UHFFFAOYSA-N 0 3 324.287 2.319 20 5 DEBDHN O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](N2CCCC2)C1 ZINC000362896125 133257957 /nfs/dbraw/zinc/25/79/57/133257957.db2.gz IIALMYWPTRGTQW-OAHLLOKOSA-N 0 3 303.362 2.295 20 5 DEBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NC1CN(C(C)=O)C1 ZINC000563417951 292055739 /nfs/dbraw/zinc/05/57/39/292055739.db2.gz NEEMMSQMJHELLT-GFCCVEGCSA-N 0 3 323.418 2.286 20 5 DEBDHN CCc1ccc(C(=O)NCCN2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000563802527 292073768 /nfs/dbraw/zinc/07/37/68/292073768.db2.gz DIKQXPLVXGPSNU-GFCCVEGCSA-N 0 3 305.378 2.229 20 5 DEBDHN Cc1ccccc1CNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000550086683 285863597 /nfs/dbraw/zinc/86/35/97/285863597.db2.gz WYQNHHGXUACDOV-INIZCTEOSA-N 0 3 316.357 2.433 20 5 DEBDHN O=[N+]([O-])c1cc(F)c(NC[C@H]2CN3CCC[C@@H]3CO2)c(F)c1 ZINC000318076713 145367774 /nfs/dbraw/zinc/36/77/74/145367774.db2.gz GGMPFUCDEQXRJD-KOLCDFICSA-N 0 3 313.304 2.148 20 5 DEBDHN C[C@H](N[C@@H]1CC(=O)N2CCCC[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000318715974 145369187 /nfs/dbraw/zinc/36/91/87/145369187.db2.gz RBXOLTUVOODGAM-NILFDRSVSA-N 0 3 303.362 2.399 20 5 DEBDHN C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000346189311 146034275 /nfs/dbraw/zinc/03/42/75/146034275.db2.gz LXCCDBJWXGRBAX-NHYWBVRUSA-N 0 3 321.352 2.433 20 5 DEBDHN CCCN1CCC[C@H]1C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000349117026 146351888 /nfs/dbraw/zinc/35/18/88/146351888.db2.gz IUBADOKGHSSNJU-ZDUSSCGKSA-N 0 3 321.377 2.094 20 5 DEBDHN C[C@H](CN(C)C)NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000358509447 147147385 /nfs/dbraw/zinc/14/73/85/147147385.db2.gz WCLHJKUAGDURPF-GFCCVEGCSA-N 0 3 320.393 2.219 20 5 DEBDHN O=C1C[C@H](NC/C=C/c2ccccc2[N+](=O)[O-])[C@@H]2CCCCN12 ZINC000374591991 148265800 /nfs/dbraw/zinc/26/58/00/148265800.db2.gz ILNKDVCBOJRCDN-YOFOWSBGSA-N 0 3 315.373 2.351 20 5 DEBDHN Cn1cnc([N+](=O)[O-])c1CN1CCC[C@@H]1[C@H]1CCCC[C@]1(C)O ZINC000375456855 148375685 /nfs/dbraw/zinc/37/56/85/148375685.db2.gz BCVPWDYLMYSBLZ-IOASZLSFSA-N 0 3 322.409 2.234 20 5 DEBDHN C[C@H](CCS(C)(=O)=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000127096508 401720003 /nfs/dbraw/zinc/72/00/03/401720003.db2.gz GBIQWVKSVFQFRE-MNOVXSKESA-N 0 3 300.380 2.069 20 5 DEBDHN CCN1CCCC[C@@H]1CNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000111458574 401716312 /nfs/dbraw/zinc/71/63/12/401716312.db2.gz ZCHVSGKQZCJYJI-CQSZACIVSA-N 0 3 320.393 2.268 20 5 DEBDHN CCN1CCCC[C@H]1CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000111480047 401716600 /nfs/dbraw/zinc/71/66/00/401716600.db2.gz UPBFFUFURZMUBI-HNNXBMFYSA-N 0 3 320.393 2.268 20 5 DEBDHN CN(C)[C@H]1CCCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000087271886 401929989 /nfs/dbraw/zinc/92/99/89/401929989.db2.gz ZQEOTJGFWSNMFZ-HNNXBMFYSA-N 0 3 305.378 2.080 20 5 DEBDHN C[C@@H](C(=O)NCc1ccccc1[N+](=O)[O-])N1[C@H](C)CC[C@@H]1C ZINC000122328711 402072266 /nfs/dbraw/zinc/07/22/66/402072266.db2.gz RQXGMFBFHHSNEN-XQQFMLRXSA-N 0 3 305.378 2.472 20 5 DEBDHN CCCN(CCN(C)C)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000104530141 402203209 /nfs/dbraw/zinc/20/32/09/402203209.db2.gz LEBURRHJMZFMFJ-CMDGGOBGSA-N 0 3 305.378 2.408 20 5 DEBDHN Cc1cccc(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)c1[N+](=O)[O-] ZINC000177041250 402363157 /nfs/dbraw/zinc/36/31/57/402363157.db2.gz GNKNNEFRKIXEQO-NWDGAFQWSA-N 0 3 303.362 2.258 20 5 DEBDHN C[C@H]1C[C@@H](NC(=O)NCc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000177651590 402423971 /nfs/dbraw/zinc/42/39/71/402423971.db2.gz MGWKFZBVVRSRNQ-WCQYABFASA-N 0 3 318.377 2.019 20 5 DEBDHN CCOC(=O)N1CC[C@@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000186443035 402431930 /nfs/dbraw/zinc/43/19/30/402431930.db2.gz JTHSNFNUMKRPSL-WCQYABFASA-N 0 3 307.350 2.476 20 5 DEBDHN Cc1ccc([C@@H](C)NC(=O)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000177834637 402440193 /nfs/dbraw/zinc/44/01/93/402440193.db2.gz GYVJTMHAXSDNFJ-GFCCVEGCSA-N 0 3 305.378 2.422 20 5 DEBDHN Nc1ccc([N+](=O)[O-])c(N2CCN([C@H]3C[C@H]4CC[C@@H]3C4)CC2)c1 ZINC000170616266 402507592 /nfs/dbraw/zinc/50/75/92/402507592.db2.gz MOYCRIHEAHWQGL-ZENOOKHLSA-N 0 3 316.405 2.488 20 5 DEBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000247376327 402565728 /nfs/dbraw/zinc/56/57/28/402565728.db2.gz LDFDZYCQKMGWHQ-QJXJPNQISA-N 0 3 317.389 2.407 20 5 DEBDHN COC(=O)[C@@H](C)CN(CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000171298803 402575719 /nfs/dbraw/zinc/57/57/19/402575719.db2.gz OAKHPSVGDQPNIC-LBPRGKRZSA-N 0 3 322.361 2.247 20 5 DEBDHN C[C@H](N[C@@H](C)[C@H](C)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000248006806 402580147 /nfs/dbraw/zinc/58/01/47/402580147.db2.gz KXEKLKIKPFDYCF-IHRRRGAJSA-N 0 3 307.394 2.355 20 5 DEBDHN CC[C@H](N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000248626160 402599918 /nfs/dbraw/zinc/59/99/18/402599918.db2.gz UYPKSCOYEQYKGO-UGFHNGPFSA-N 0 3 321.377 2.469 20 5 DEBDHN COCC[C@](C)(O)CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000172069435 402639136 /nfs/dbraw/zinc/63/91/36/402639136.db2.gz IZLJAMQTAQTXED-ZDUSSCGKSA-N 0 3 302.758 2.125 20 5 DEBDHN CC[C@@H](C)[C@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182222084 402673836 /nfs/dbraw/zinc/67/38/36/402673836.db2.gz ZOSOOKWKDZOZQD-NEPJUHHUSA-N 0 3 314.407 2.393 20 5 DEBDHN CCc1ccc(C(=O)NC[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000174209001 402731712 /nfs/dbraw/zinc/73/17/12/402731712.db2.gz CSZSQIVSDXYMSV-GFCCVEGCSA-N 0 3 305.378 2.229 20 5 DEBDHN CSC[C@@](C)(O)CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000183802768 402798518 /nfs/dbraw/zinc/79/85/18/402798518.db2.gz NRROBLFXXDFPGB-LBPRGKRZSA-N 0 3 304.799 2.452 20 5 DEBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)N1CCC(C)CC1 ZINC000184330946 402836162 /nfs/dbraw/zinc/83/61/62/402836162.db2.gz HDACAFCYLPJWKI-LBPRGKRZSA-N 0 3 320.393 2.027 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](CCO)C(C)(C)C ZINC000183673161 402787723 /nfs/dbraw/zinc/78/77/23/402787723.db2.gz OWDUIIRRMRHOLI-CQSZACIVSA-N 0 3 323.393 2.228 20 5 DEBDHN CCN1CCC[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000195498693 402847585 /nfs/dbraw/zinc/84/75/85/402847585.db2.gz MUFYTEZBFSGMJN-NSHDSACASA-N 0 3 316.361 2.290 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000278071023 402853124 /nfs/dbraw/zinc/85/31/24/402853124.db2.gz VXDZTSHGIIJYAS-HNNXBMFYSA-N 0 3 323.418 2.070 20 5 DEBDHN O=C(NCCN1CCCCC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000273516587 403011731 /nfs/dbraw/zinc/01/17/31/403011731.db2.gz XSLKWDMJXPCBJF-UHFFFAOYSA-N 0 3 310.329 2.341 20 5 DEBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1Nc1c([N+](=O)[O-])ncn1C ZINC000274146896 403030851 /nfs/dbraw/zinc/03/08/51/403030851.db2.gz ICQJGYWEBLHCEY-OCCSQVGLSA-N 0 3 315.377 2.261 20 5 DEBDHN CCOCCN(CC)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000266549329 402972896 /nfs/dbraw/zinc/97/28/96/402972896.db2.gz SVUXUSAFUQIMCM-UHFFFAOYSA-N 0 3 312.366 2.341 20 5 DEBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@H](CO)c2ccc(F)cc2)c1 ZINC000273137141 402975674 /nfs/dbraw/zinc/97/56/74/402975674.db2.gz SUMGNHYJSOAZGW-CVEARBPZSA-N 0 3 320.320 2.091 20 5 DEBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000268143623 403054061 /nfs/dbraw/zinc/05/40/61/403054061.db2.gz DSJZPNIPQBSGPG-HANDEYTQSA-N 0 3 315.373 2.207 20 5 DEBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000268294013 403070878 /nfs/dbraw/zinc/07/08/78/403070878.db2.gz ZVNXOGNCXDUACE-MLGOLLRUSA-N 0 3 317.389 2.126 20 5 DEBDHN CCCN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)CC(C)(C)O ZINC000268563215 403094881 /nfs/dbraw/zinc/09/48/81/403094881.db2.gz OTEFCMBLFABPFP-UHFFFAOYSA-N 0 3 323.393 2.041 20 5 DEBDHN C[C@@H]1CN(CCCNc2cc(N)ccc2[N+](=O)[O-])CCCO1 ZINC000282372466 403147296 /nfs/dbraw/zinc/14/72/96/403147296.db2.gz YGADNGOQDDXECI-GFCCVEGCSA-N 0 3 308.382 2.090 20 5 DEBDHN CN1CCCC[C@@H]1CCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000269539662 403147759 /nfs/dbraw/zinc/14/77/59/403147759.db2.gz BUYMOYRRQNWBMD-LLVKDONJSA-N 0 3 317.345 2.065 20 5 DEBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@@H](c3ncc[nH]3)C2)c1 ZINC000269663570 403155215 /nfs/dbraw/zinc/15/52/15/403155215.db2.gz REPSGDNTDXPBOE-UKRRQHHQSA-N 0 3 316.361 2.231 20 5 DEBDHN CCOC[C@@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269700920 403158473 /nfs/dbraw/zinc/15/84/73/403158473.db2.gz YEKGXWFRIDVTRJ-CJNGLKHVSA-N 0 3 308.378 2.377 20 5 DEBDHN O=C1NC(CC(F)(F)F)C(=O)N1c1ccc([N+](=O)[O-])cc1F ZINC000277466649 403220909 /nfs/dbraw/zinc/22/09/09/403220909.db2.gz UMFWNJQZZJUPRP-ZETCQYMHSA-N 0 3 321.186 2.111 20 5 DEBDHN C[C@H](N[C@H]1C[C@H](C)N(C2CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284228020 403255432 /nfs/dbraw/zinc/25/54/32/403255432.db2.gz ULWUKUOQVYKPFE-GVXVVHGQSA-N 0 3 304.394 2.453 20 5 DEBDHN C[C@@H]1[C@@H](Nc2ncnc3sc([N+](=O)[O-])cc32)CCCN1C ZINC000342834930 403366457 /nfs/dbraw/zinc/36/64/57/403366457.db2.gz LYSSWQABAGXUIL-SCZZXKLOSA-N 0 3 307.379 2.494 20 5 DEBDHN COc1cc(CNC[C@H]2CCOC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000285569931 403330365 /nfs/dbraw/zinc/33/03/65/403330365.db2.gz SKACGSKNGDZUKM-NWDGAFQWSA-N 0 3 324.377 2.374 20 5 DEBDHN CC(C)COC[C@H](O)CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292251445 403334240 /nfs/dbraw/zinc/33/42/40/403334240.db2.gz XTGFVSMHJNZLIO-CYBMUJFWSA-N 0 3 310.394 2.453 20 5 DEBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000285611420 403338902 /nfs/dbraw/zinc/33/89/02/403338902.db2.gz CCEHVBOIQIQLLX-JQWIXIFHSA-N 0 3 309.391 2.355 20 5 DEBDHN O=[N+]([O-])c1ccc(CN[C@@H](C2CC2)[C@]2(CO)CCCO2)cc1 ZINC000339764474 403442346 /nfs/dbraw/zinc/44/23/46/403442346.db2.gz GEOSBLZHBUSVOY-JKSUJKDBSA-N 0 3 306.362 2.005 20 5 DEBDHN CCN(CCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000339884838 403483568 /nfs/dbraw/zinc/48/35/68/403483568.db2.gz CCWAEMLNXQTQRB-UHFFFAOYSA-N 0 3 319.405 2.473 20 5 DEBDHN CC[C@H](C)NC(=O)CCN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293632761 403525021 /nfs/dbraw/zinc/52/50/21/403525021.db2.gz HPZHBYMFKBAHEB-QWRGUYRKSA-N 0 3 308.382 2.132 20 5 DEBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](C)N(C)C1CC1 ZINC000343277369 403522216 /nfs/dbraw/zinc/52/22/16/403522216.db2.gz WYCIINLRFRDMPL-NSHDSACASA-N 0 3 321.377 2.206 20 5 DEBDHN C[C@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCN1C ZINC000343441127 403592657 /nfs/dbraw/zinc/59/26/57/403592657.db2.gz BTCWLEOIAWREFZ-TVQRCGJNSA-N 0 3 311.769 2.461 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCO[C@H]1c1nccn1C ZINC000343382942 403562127 /nfs/dbraw/zinc/56/21/27/403562127.db2.gz GLHXNOBNSVEPDN-HUUCEWRRSA-N 0 3 316.361 2.257 20 5 DEBDHN CCOc1ccc(C(=O)N[C@H]2CCCN(C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000343528858 403624814 /nfs/dbraw/zinc/62/48/14/403624814.db2.gz MBTYEDDBTQYIBC-YPMHNXCESA-N 0 3 321.377 2.206 20 5 DEBDHN C[C@H]1C[C@@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCN1C ZINC000347259765 403640291 /nfs/dbraw/zinc/64/02/91/403640291.db2.gz DIYLBRHOAIOXOH-ONGXEEELSA-N 0 3 310.329 2.338 20 5 DEBDHN Cc1ccc(NC[C@@H](O)CN2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000301568064 403648541 /nfs/dbraw/zinc/64/85/41/403648541.db2.gz XAXHPLSKTNCNRA-CQSZACIVSA-N 0 3 307.394 2.408 20 5 DEBDHN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@@H]1CN1CCCC1 ZINC000344268700 404019339 /nfs/dbraw/zinc/01/93/39/404019339.db2.gz ZXOQOIIQOJLHDA-CQSZACIVSA-N 0 3 321.352 2.434 20 5 DEBDHN O=[N+]([O-])c1cc(CN[C@@H](CO)C2CCCC2)c2c(c1)COCO2 ZINC000289468035 403976989 /nfs/dbraw/zinc/97/69/89/403976989.db2.gz HQZTVJSPXDVQJV-HNNXBMFYSA-N 0 3 322.361 2.102 20 5 DEBDHN CO[C@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000296014422 404052509 /nfs/dbraw/zinc/05/25/09/404052509.db2.gz MTGMPRMIFCGTBE-GJZGRUSLSA-N 0 3 308.378 2.375 20 5 DEBDHN CC(C)(C(=O)N[C@H]1CCN(C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000352153212 404181119 /nfs/dbraw/zinc/18/11/19/404181119.db2.gz FCAUDBYPFKJTJM-ZDUSSCGKSA-N 0 3 317.389 2.225 20 5 DEBDHN C[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCOCC1 ZINC000355110501 404223339 /nfs/dbraw/zinc/22/33/39/404223339.db2.gz BPGYRIQJHPODPU-SNVBAGLBSA-N 0 3 304.350 2.376 20 5 DEBDHN C[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)[C@H](c1ccccc1)N(C)C ZINC000349797400 404204522 /nfs/dbraw/zinc/20/45/22/404204522.db2.gz BUWMEIVXIVALQZ-XHDPSFHLSA-N 0 3 316.361 2.344 20 5 DEBDHN COc1cc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1[O-] ZINC000337786030 404239746 /nfs/dbraw/zinc/23/97/46/404239746.db2.gz BJXJMEMJUQWHOA-QWHCGFSZSA-N 0 3 321.377 2.025 20 5 DEBDHN COc1cc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1[O-] ZINC000337786030 404239753 /nfs/dbraw/zinc/23/97/53/404239753.db2.gz BJXJMEMJUQWHOA-QWHCGFSZSA-N 0 3 321.377 2.025 20 5 DEBDHN CN(C)CC1(NC(=O)CSc2ccccc2[N+](=O)[O-])CCC1 ZINC000341936783 404266572 /nfs/dbraw/zinc/26/65/72/404266572.db2.gz AXSMCOOPDMCDHD-UHFFFAOYSA-N 0 3 323.418 2.287 20 5 DEBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000344637726 404277519 /nfs/dbraw/zinc/27/75/19/404277519.db2.gz FZIMGIMTCQPQKK-CQSZACIVSA-N 0 3 305.378 2.445 20 5 DEBDHN CCOc1ccc(C(=O)NC2(CN(C)C)CCC2)cc1[N+](=O)[O-] ZINC000341994950 404303312 /nfs/dbraw/zinc/30/33/12/404303312.db2.gz MVZPOPNHBBFBAI-UHFFFAOYSA-N 0 3 321.377 2.208 20 5 DEBDHN CO[C@H]1C[C@@H](NCc2cc([N+](=O)[O-])cc3c2OCOC3)C1(C)C ZINC000344695446 404313043 /nfs/dbraw/zinc/31/30/43/404313043.db2.gz JKSMYPABCDMLOJ-KGLIPLIRSA-N 0 3 322.361 2.364 20 5 DEBDHN CC(C)CN(CCN(C)C)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000355319135 404323397 /nfs/dbraw/zinc/32/33/97/404323397.db2.gz OEWYLYZLLMYBSX-UHFFFAOYSA-N 0 3 322.409 2.053 20 5 DEBDHN Cc1cccc(N2CCN([C@@H]3CCCN(C)C3)CC2)c1[N+](=O)[O-] ZINC000372946276 404518019 /nfs/dbraw/zinc/51/80/19/404518019.db2.gz GHHITQJPTPKKIP-OAHLLOKOSA-N 0 3 318.421 2.119 20 5 DEBDHN CCC[C@]1(NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])CCOC1 ZINC000352822252 404647264 /nfs/dbraw/zinc/64/72/64/404647264.db2.gz FEIIAIKKSNSGFP-INIZCTEOSA-N 0 3 321.377 2.391 20 5 DEBDHN CCC[N@@H+]1CCC[C@H]1CNCc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000353134076 404751084 /nfs/dbraw/zinc/75/10/84/404751084.db2.gz GHLPABILMLBPER-ZDUSSCGKSA-N 0 3 323.393 2.273 20 5 DEBDHN CCC[N@H+]1CCC[C@H]1CNCc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000353134076 404751086 /nfs/dbraw/zinc/75/10/86/404751086.db2.gz GHLPABILMLBPER-ZDUSSCGKSA-N 0 3 323.393 2.273 20 5 DEBDHN O=C(NC[C@H]1CCCCN1C1CC1)c1ccc([N+](=O)[O-])cc1F ZINC000434423890 404895532 /nfs/dbraw/zinc/89/55/32/404895532.db2.gz GVEWKZBPPXMJLY-CYBMUJFWSA-N 0 3 321.352 2.481 20 5 DEBDHN CCc1nn(C)c(N[C@@H](C)CN2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000360959758 404862579 /nfs/dbraw/zinc/86/25/79/404862579.db2.gz HWDVGMCGYJPXPC-RYUDHWBXSA-N 0 3 309.414 2.423 20 5 DEBDHN O=C1C[C@]2(CN1)CCCN(C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000353747358 404954517 /nfs/dbraw/zinc/95/45/17/404954517.db2.gz AAMXDLJGAYVQLW-ZVVFDCPKSA-N 0 3 315.373 2.210 20 5 DEBDHN CCOC(=O)c1ccnc(N[C@H]2CCN(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000361083160 404909307 /nfs/dbraw/zinc/90/93/07/404909307.db2.gz XCQFTDXHNBILKP-QWRGUYRKSA-N 0 3 322.365 2.061 20 5 DEBDHN CC1CCC(N2CCN(c3c([N+](=O)[O-])ncn3C)CC2)CC1 ZINC000408073717 405106256 /nfs/dbraw/zinc/10/62/56/405106256.db2.gz RNGKZDPJKIAECA-UHFFFAOYSA-N 0 3 307.398 2.029 20 5 DEBDHN CO[C@H]1C[C@@H](NCC(=O)Nc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000453129355 405286129 /nfs/dbraw/zinc/28/61/29/405286129.db2.gz XWKSYCPQAMDNMY-KGLIPLIRSA-N 0 3 319.361 2.081 20 5 DEBDHN C[C@@H](CNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)N(C)C ZINC000454562412 405364661 /nfs/dbraw/zinc/36/46/61/405364661.db2.gz UADMEJNCQBMJCD-ZDUSSCGKSA-N 0 3 322.409 2.167 20 5 DEBDHN CC1(C)CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@H]1O ZINC000446069130 405368625 /nfs/dbraw/zinc/36/86/25/405368625.db2.gz UOWIWXCUFZIYTJ-CQSZACIVSA-N 0 3 321.377 2.016 20 5 DEBDHN Cc1cc(NC(=O)N(C)C[C@@H]2CCCN2C)ccc1[N+](=O)[O-] ZINC000421089936 405445770 /nfs/dbraw/zinc/44/57/70/405445770.db2.gz NOJVMACBBYVUDP-ZDUSSCGKSA-N 0 3 306.366 2.461 20 5 DEBDHN CC(C)N(C)CCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000448981551 405484875 /nfs/dbraw/zinc/48/48/75/405484875.db2.gz UCRVOJSEGOIOBO-UHFFFAOYSA-N 0 3 321.377 2.014 20 5 DEBDHN CNC(=O)[C@]1(C)CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000430773378 405505546 /nfs/dbraw/zinc/50/55/46/405505546.db2.gz SXPGZSLSJFRDRY-GMNBZTITSA-N 0 3 303.362 2.066 20 5 DEBDHN C[C@H](NC(=O)NC[C@H]1CCCN(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000580526120 405634107 /nfs/dbraw/zinc/63/41/07/405634107.db2.gz CLPLWPBGBZYXBV-QWHCGFSZSA-N 0 3 320.393 2.297 20 5 DEBDHN CC(C)N1CC[C@H](N(C)C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000457107930 405704311 /nfs/dbraw/zinc/70/43/11/405704311.db2.gz FOIBLZQNRWRSBY-HNNXBMFYSA-N 0 3 305.378 2.078 20 5 DEBDHN C[C@@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)N(C)C ZINC000459032685 405706046 /nfs/dbraw/zinc/70/60/46/405706046.db2.gz AXQSTMGATRNJAP-LBPRGKRZSA-N 0 3 320.393 2.219 20 5 DEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCc1ccc(F)cc1 ZINC000560269402 405783713 /nfs/dbraw/zinc/78/37/13/405783713.db2.gz FYHURAYFYXKILP-AWEZNQCLSA-N 0 3 320.320 2.263 20 5 DEBDHN COC[C@H](NC/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000433210101 405900802 /nfs/dbraw/zinc/90/08/02/405900802.db2.gz ZWLUTZUMFYRDGO-UYCDMLEZSA-N 0 3 306.362 2.392 20 5 DEBDHN CCC[C@@H]1C[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000568857662 292372015 /nfs/dbraw/zinc/37/20/15/292372015.db2.gz LDSQIQXWUHSNJK-BXUZGUMPSA-N 0 3 312.391 2.147 20 5 DEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CC=CCC2)cc1 ZINC000567605699 406103727 /nfs/dbraw/zinc/10/37/27/406103727.db2.gz ALILJLMAITXDEE-LBPRGKRZSA-N 0 3 310.375 2.067 20 5 DEBDHN C[C@@H]1CCN(CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000525803718 406503859 /nfs/dbraw/zinc/50/38/59/406503859.db2.gz FMPXPHJZQDSVMP-LLVKDONJSA-N 0 3 317.345 2.413 20 5 DEBDHN CN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CCN(C2CC2)C1 ZINC000491685285 406669589 /nfs/dbraw/zinc/66/95/89/406669589.db2.gz KTFAHAYOVSVWKZ-PPYMECGQSA-N 0 3 315.373 2.303 20 5 DEBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@H]1CCCN(C)C1 ZINC000553388349 406756722 /nfs/dbraw/zinc/75/67/22/406756722.db2.gz ZPOUGIXDYBSWHU-GFCCVEGCSA-N 0 3 321.377 2.444 20 5 DEBDHN CN(C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCCN(C)C1 ZINC000491909051 406773968 /nfs/dbraw/zinc/77/39/68/406773968.db2.gz ABHYWQJDORBCIB-IQCBXXCUSA-N 0 3 321.352 2.300 20 5 DEBDHN CO[C@@]1(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCOC1 ZINC000447594739 274073805 /nfs/dbraw/zinc/07/38/05/274073805.db2.gz IASCVRBERSHQIR-HZPDHXFCSA-N 0 3 306.362 2.367 20 5 DEBDHN C[C@@H]1C[C@@H](Nc2ncnc3cccc([N+](=O)[O-])c32)CCN1C ZINC000347463407 274395136 /nfs/dbraw/zinc/39/51/36/274395136.db2.gz MLZHUELVVGWFLC-MNOVXSKESA-N 0 3 301.350 2.433 20 5 DEBDHN CN1CCC[C@]2(CCN(C(=O)c3ccccc3[N+](=O)[O-])C2)C1 ZINC000293803058 277086222 /nfs/dbraw/zinc/08/62/22/277086222.db2.gz AEPVEADIPAIULM-INIZCTEOSA-N 0 3 303.362 2.153 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(NC[C@H](O)CN2CCC(C)CC2)c1 ZINC000338666190 277431622 /nfs/dbraw/zinc/43/16/22/277431622.db2.gz NPJLGUDOEHROQE-ZDUSSCGKSA-N 0 3 323.393 2.108 20 5 DEBDHN C[C@]1(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCC(=O)N1 ZINC000453428222 280159400 /nfs/dbraw/zinc/15/94/00/280159400.db2.gz PPHWQLGBWUTNEO-GOEBONIOSA-N 0 3 303.362 2.231 20 5 DEBDHN CN(C)CCN(Cc1csc([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000349059414 289151099 /nfs/dbraw/zinc/15/10/99/289151099.db2.gz BKEVHYKPRFJKFU-CYBMUJFWSA-N 0 3 313.423 2.199 20 5 DEBDHN CN(C)CCSCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000171788952 325723551 /nfs/dbraw/zinc/72/35/51/325723551.db2.gz SSMLNGZOBNWOBX-UHFFFAOYSA-N 0 3 308.363 2.440 20 5 DEBDHN C[C@@H](C(=O)NCCN1CC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000574250354 326136440 /nfs/dbraw/zinc/13/64/40/326136440.db2.gz JJAMHNXVJNLTAX-QWHCGFSZSA-N 0 3 305.378 2.156 20 5 DEBDHN CS[C@@H]1CN(c2ncc(C)cc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000575822126 326248811 /nfs/dbraw/zinc/24/88/11/326248811.db2.gz ZJEBJVZZBNJHGP-ZIAGYGMSSA-N 0 3 322.434 2.314 20 5 DEBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)N1CCC(C)CC1 ZINC000299327432 534041599 /nfs/dbraw/zinc/04/15/99/534041599.db2.gz GSIJVFWECQZJCO-ZDUSSCGKSA-N 0 3 305.378 2.445 20 5 DEBDHN COCC[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)(C)C ZINC000338346762 521857997 /nfs/dbraw/zinc/85/79/97/521857997.db2.gz GGPYWHIRMBCUKK-CQSZACIVSA-N 0 3 323.393 2.235 20 5 DEBDHN Cc1ccc(CN2CCN(CC(C)(C)O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000249960834 524458253 /nfs/dbraw/zinc/45/82/53/524458253.db2.gz WKAXMBWJRLMZIF-CQSZACIVSA-N 0 3 321.421 2.180 20 5 DEBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCc3cncs3)C2)nc1 ZINC000411372277 534882688 /nfs/dbraw/zinc/88/26/88/534882688.db2.gz CDZCDGJGXORYOO-LLVKDONJSA-N 0 3 319.390 2.175 20 5 DEBDHN CC(C)(C)[C@@H](CCO)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444686744 526616846 /nfs/dbraw/zinc/61/68/46/526616846.db2.gz SXOHGCJAVUGFTI-CYBMUJFWSA-N 0 3 306.366 2.358 20 5 DEBDHN O=C(N[C@H]1CCN(C2CCCC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000106791176 527046210 /nfs/dbraw/zinc/04/62/10/527046210.db2.gz JSBMTOYHBPQYMW-NSHDSACASA-N 0 3 321.352 2.481 20 5 DEBDHN CCN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000294886724 527798607 /nfs/dbraw/zinc/79/86/07/527798607.db2.gz VDCBYACONFAXAX-UHFFFAOYSA-N 0 3 319.283 2.295 20 5 DEBDHN CC(C)N1CC[C@@H](N[C@H](C)Cc2ccccc2[N+](=O)[O-])C1=O ZINC000449153332 535239436 /nfs/dbraw/zinc/23/94/36/535239436.db2.gz CZDWETVHYWVXRL-TZMCWYRMSA-N 0 3 305.378 2.125 20 5 DEBDHN CC1(C)CCCN[C@@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000262572383 535296508 /nfs/dbraw/zinc/29/65/08/535296508.db2.gz XPLDHLQPQFWWCG-CQSZACIVSA-N 0 3 305.378 2.032 20 5 DEBDHN CCOc1ccc([C@@H](C)NC[C@@]2(OC)CCOC2)cc1[N+](=O)[O-] ZINC000359414963 535411342 /nfs/dbraw/zinc/41/13/42/535411342.db2.gz IGMAQDXYVLHZLJ-WBMJQRKESA-N 0 3 324.377 2.450 20 5 DEBDHN CCOc1ccc([C@@H](C)NC[C@H]2COCCO2)cc1[N+](=O)[O-] ZINC000349245211 535413457 /nfs/dbraw/zinc/41/34/57/535413457.db2.gz HCHZQURGDNTFHJ-YPMHNXCESA-N 0 3 310.350 2.060 20 5 DEBDHN CCOc1ccc([C@H](C)N[C@H](C)C[S@@](C)=O)cc1[N+](=O)[O-] ZINC000248447442 535421106 /nfs/dbraw/zinc/42/11/06/535421106.db2.gz DDJKQFFGXDZGFO-NNUHMIRASA-N 0 3 314.407 2.411 20 5 DEBDHN CN1CCC2(CCN(Cc3cc(F)ccc3[N+](=O)[O-])CC2)C1=O ZINC000373172130 536350015 /nfs/dbraw/zinc/35/00/15/536350015.db2.gz GWHPMQSIYTXASR-UHFFFAOYSA-N 0 3 321.352 2.178 20 5 DEBDHN CN1C[C@@H]2CCCN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000493056420 536487365 /nfs/dbraw/zinc/48/73/65/536487365.db2.gz UEIZFDWAEJGCTC-WIPWUNCGSA-N 0 3 315.373 2.161 20 5 DEBDHN COc1ccc(OC(F)(F)F)c(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000835455237 649923796 /nfs/dbraw/zinc/92/37/96/649923796.db2.gz NKGCGTADESLMSV-ZETCQYMHSA-N 0 3 323.223 2.416 20 5 DEBDHN O=[N+]([O-])c1cccc(CC[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826499492 607978286 /nfs/dbraw/zinc/97/82/86/607978286.db2.gz KSHNFLYCCFSCAB-UHFFFAOYSA-N 0 3 324.344 2.107 20 5 DEBDHN O=[N+]([O-])c1cccc(CC[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826499492 607978287 /nfs/dbraw/zinc/97/82/87/607978287.db2.gz KSHNFLYCCFSCAB-UHFFFAOYSA-N 0 3 324.344 2.107 20 5 DEBDHN CC(COC(=O)[C@H](C)Oc1ccc(F)cc1Cl)[N+](=O)[O-] ZINC000813115671 623418418 /nfs/dbraw/zinc/41/84/18/623418418.db2.gz XLBBIVKNCGUYAD-YUMQZZPRSA-N 0 3 305.689 2.455 20 5 DEBDHN CC[N@@H+](Cc1ccc([O-])c(OC)c1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000891660010 624519692 /nfs/dbraw/zinc/51/96/92/624519692.db2.gz MBJRXIBJVJNPPC-NSHDSACASA-N 0 3 310.350 2.167 20 5 DEBDHN CC[N@H+](Cc1ccc([O-])c(OC)c1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000891660010 624519694 /nfs/dbraw/zinc/51/96/94/624519694.db2.gz MBJRXIBJVJNPPC-NSHDSACASA-N 0 3 310.350 2.167 20 5 DEBDHN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000892620723 625199804 /nfs/dbraw/zinc/19/98/04/625199804.db2.gz DPKVMZCWRWIKOG-DMDPSCGWSA-N 0 3 312.391 2.069 20 5 DEBDHN C[C@H](NC(=O)N(C)[C@@H]1CCCN(C)C1)c1ccccc1[N+](=O)[O-] ZINC000894016469 636093212 /nfs/dbraw/zinc/09/32/12/636093212.db2.gz SMSKQWMFQAGRLE-QWHCGFSZSA-N 0 3 320.393 2.391 20 5 DEBDHN COc1c([O-])ccc(C[N@H+](CC2CCC2)[C@@H](C)CO)c1[N+](=O)[O-] ZINC000894286342 636693405 /nfs/dbraw/zinc/69/34/05/636693405.db2.gz WRHIVFQNZZNFSK-NSHDSACASA-N 0 3 324.377 2.292 20 5 DEBDHN COc1c([O-])ccc(C[N@@H+](CC2CCC2)[C@@H](C)CO)c1[N+](=O)[O-] ZINC000894286342 636693407 /nfs/dbraw/zinc/69/34/07/636693407.db2.gz WRHIVFQNZZNFSK-NSHDSACASA-N 0 3 324.377 2.292 20 5 DEBDHN COc1c(O)ccc(CN(CC2CCC2)[C@@H](C)CO)c1[N+](=O)[O-] ZINC000894286342 636693412 /nfs/dbraw/zinc/69/34/12/636693412.db2.gz WRHIVFQNZZNFSK-NSHDSACASA-N 0 3 324.377 2.292 20 5 DEBDHN CC(C)c1ccc(CNC[C@@H](O)c2ccnn2C)cc1[N+](=O)[O-] ZINC000922972738 636891739 /nfs/dbraw/zinc/89/17/39/636891739.db2.gz KHYLMDYYOJZYHM-MRXNPFEDSA-N 0 3 318.377 2.275 20 5 DEBDHN COc1c([O-])ccc(C[NH2+]CCC2(OC)CCC2)c1[N+](=O)[O-] ZINC000894614247 637132839 /nfs/dbraw/zinc/13/28/39/637132839.db2.gz KDPLUWKMTSUWTM-UHFFFAOYSA-N 0 3 310.350 2.358 20 5 DEBDHN C[C@@H]1CCN(CCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000744802649 638248330 /nfs/dbraw/zinc/24/83/30/638248330.db2.gz SYUGRIDDRMBUSH-SNVBAGLBSA-N 0 3 311.769 2.320 20 5 DEBDHN COc1c(O)ccc(CNC[C@@H]2C[C@H]3CCC[C@@H]3O2)c1[N+](=O)[O-] ZINC000895931164 638271988 /nfs/dbraw/zinc/27/19/88/638271988.db2.gz IBFOOOMKDDNMNB-OSMZGAPFSA-N 0 3 322.361 2.356 20 5 DEBDHN C[C@@H](N[C@@H](C)[C@H]1CCS(=O)(=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000896511138 638546685 /nfs/dbraw/zinc/54/66/85/638546685.db2.gz VNOREUPJNNEEPE-MDZLAQPJSA-N 0 3 312.391 2.069 20 5 DEBDHN CCn1cc([C@H](C)NC[C@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000765847339 640823827 /nfs/dbraw/zinc/82/38/27/640823827.db2.gz BAERHVWDDATVCF-NHYWBVRUSA-N 0 3 304.350 2.195 20 5 DEBDHN COc1c([O-])ccc(C[NH2+]CCc2cccnc2C)c1[N+](=O)[O-] ZINC000898252126 641065131 /nfs/dbraw/zinc/06/51/31/641065131.db2.gz YWPMJJFPMJKTIO-UHFFFAOYSA-N 0 3 317.345 2.345 20 5 DEBDHN CCCN1CC[C@@H](NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC000898977700 641875726 /nfs/dbraw/zinc/87/57/26/641875726.db2.gz LGMAFCFRSHYIFN-CYBMUJFWSA-N 0 3 305.378 2.426 20 5 DEBDHN CN(CCc1ccccn1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776272541 642152386 /nfs/dbraw/zinc/15/23/86/642152386.db2.gz VSUMCDKTZQIFEJ-INIZCTEOSA-N 0 3 301.346 2.198 20 5 DEBDHN COc1ccc(OC(=O)C2CCN(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000781868358 642793807 /nfs/dbraw/zinc/79/38/07/642793807.db2.gz MWEYSLLAOGYTTQ-UHFFFAOYSA-N 0 3 320.345 2.383 20 5 DEBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC([C@@H]3CCOC3)CC2)cc1 ZINC000784343802 643127822 /nfs/dbraw/zinc/12/78/22/643127822.db2.gz PETBYTWZBRMULR-NVXWUHKLSA-N 0 3 320.389 2.377 20 5 DEBDHN O=[N+]([O-])c1cccc(CNC[C@@H](O)C[C@@H](O)c2ccccc2)c1 ZINC000905065361 643785714 /nfs/dbraw/zinc/78/57/14/643785714.db2.gz IAXKUBHAWDDOMC-DLBZAZTESA-N 0 3 316.357 2.169 20 5 DEBDHN CCN1C[C@H](C)N(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C ZINC000792873405 644163093 /nfs/dbraw/zinc/16/30/93/644163093.db2.gz SKBUCDBFJYTHLF-RYUDHWBXSA-N 0 3 322.365 2.418 20 5 DEBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCOC[C@H](C3CCC3)C2)cc1 ZINC000795288733 644547579 /nfs/dbraw/zinc/54/75/79/644547579.db2.gz KKXOLKARCJPCFW-WBVHZDCISA-N 0 3 320.389 2.377 20 5 DEBDHN CCN1CCCN(C(=O)c2cc(C)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000910282359 645387137 /nfs/dbraw/zinc/38/71/37/645387137.db2.gz FURYCWHLLUCRTH-ZDUSSCGKSA-N 0 3 305.378 2.460 20 5 DEBDHN CC(COC(=O)c1cnc(OCC2CC2)c(Cl)c1)[N+](=O)[O-] ZINC000813103157 646728348 /nfs/dbraw/zinc/72/83/48/646728348.db2.gz ALWZMXSUJFXOLO-QMMMGPOBSA-N 0 3 314.725 2.346 20 5 DEBDHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1OC(F)F ZINC000813106711 646729574 /nfs/dbraw/zinc/72/95/74/646729574.db2.gz GEDRENRTECAFBM-SSDOTTSWSA-N 0 3 305.233 2.119 20 5 DEBDHN Cc1cc(C)n(-c2ccc(C(=O)OCC(C)[N+](=O)[O-])cc2F)n1 ZINC000813104842 646729790 /nfs/dbraw/zinc/72/97/90/646729790.db2.gz SIKXNKONYUOLKY-LLVKDONJSA-N 0 3 321.308 2.450 20 5 DEBDHN COc1ccc(C(=O)CCC(=O)OCC(C)[N+](=O)[O-])cc1F ZINC000813104110 646729868 /nfs/dbraw/zinc/72/98/68/646729868.db2.gz KBRAQARPZVKGDY-SECBINFHSA-N 0 3 313.281 2.006 20 5 DEBDHN Cc1cc(F)ccc1-n1ccc(C(=O)OCC(C)[N+](=O)[O-])n1 ZINC000813113711 646732753 /nfs/dbraw/zinc/73/27/53/646732753.db2.gz TXKKGUILFXVBTQ-JTQLQIEISA-N 0 3 307.281 2.142 20 5 DEBDHN COc1cc(Br)ccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813113358 646732951 /nfs/dbraw/zinc/73/29/51/646732951.db2.gz ZHRJTKYOSATXJW-SSDOTTSWSA-N 0 3 318.123 2.280 20 5 DEBDHN CCn1nc(C)c(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)c1C ZINC000819009340 647563122 /nfs/dbraw/zinc/56/31/22/647563122.db2.gz KSXGQHLWHPIHBN-INIZCTEOSA-N 0 3 318.377 2.251 20 5 DEBDHN COCC(C)(C)NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000154887521 648124457 /nfs/dbraw/zinc/12/44/57/648124457.db2.gz PSPYVJCXZMPBMD-UHFFFAOYSA-N 0 3 315.757 2.201 20 5 DEBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCN1C ZINC000827135397 648979497 /nfs/dbraw/zinc/97/94/97/648979497.db2.gz CLFVXWYWPXQWKB-LLVKDONJSA-N 0 3 309.391 2.141 20 5 DEBDHN CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H]1CCCN1CCCO ZINC000828420595 649176507 /nfs/dbraw/zinc/17/65/07/649176507.db2.gz GCYDVLLFGDRCKF-AWEZNQCLSA-N 0 3 321.377 2.056 20 5 DEBDHN Cc1c(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cnn1C ZINC000845872599 651291183 /nfs/dbraw/zinc/29/11/83/651291183.db2.gz KDRSCIIEXHGVMO-YGRLFVJLSA-N 0 3 321.308 2.431 20 5 DEBDHN CC([C@H](OC(=O)COC(F)F)c1ccccc1F)[N+](=O)[O-] ZINC000845877733 651291610 /nfs/dbraw/zinc/29/16/10/651291610.db2.gz GMHSNMFWWLTACR-CPCISQLKSA-N 0 3 307.224 2.314 20 5 DEBDHN CC(C)OCC(=N)NOCc1c(F)cc([N+](=O)[O-])cc1F ZINC000853657678 652585263 /nfs/dbraw/zinc/58/52/63/652585263.db2.gz FGTTYZSJYSRORK-UHFFFAOYSA-N 0 3 303.265 2.296 20 5 DEBDHN CCN1CCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000160361348 684327343 /nfs/dbraw/zinc/32/73/43/684327343.db2.gz KAAYKNCZFQWAAL-JTQLQIEISA-N 0 3 311.769 2.462 20 5 DEBDHN COCCC1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000859401657 685722051 /nfs/dbraw/zinc/72/20/51/685722051.db2.gz WISNVCKOFIYEJQ-INIZCTEOSA-N 0 3 308.378 2.377 20 5 DEBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000860011090 685870143 /nfs/dbraw/zinc/87/01/43/685870143.db2.gz UGVBMMNSSOUZIP-JOYOIKCWSA-N 0 3 323.780 2.461 20 5 DEBDHN CC(C)NC(=O)[C@H](C)N[C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866374036 687551269 /nfs/dbraw/zinc/55/12/69/687551269.db2.gz AEQDTJXSEHGJPY-MNOVXSKESA-N 0 3 311.357 2.168 20 5 DEBDHN CCn1nncc1CN[C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866395059 687559525 /nfs/dbraw/zinc/55/95/25/687559525.db2.gz IQNMTGCUJNKHJL-JTQLQIEISA-N 0 3 307.329 2.066 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000930318096 694135282 /nfs/dbraw/zinc/13/52/82/694135282.db2.gz ZSPOYBQHRLIBCH-OCCSQVGLSA-N 0 3 318.377 2.379 20 5 DEBDHN Cn1c(C(=O)N2c3ccccc3[C@@H](N)C2(C)C)ccc1[N+](=O)[O-] ZINC000867991450 687864282 /nfs/dbraw/zinc/86/42/82/687864282.db2.gz PHCRYTTYVSUWPF-CQSZACIVSA-N 0 3 314.345 2.372 20 5 DEBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H]1COCCO1 ZINC000872025119 688914909 /nfs/dbraw/zinc/91/49/09/688914909.db2.gz ZNTQRUGYYCAJMW-ZYHUDNBSSA-N 0 3 312.391 2.383 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000874843206 689515223 /nfs/dbraw/zinc/51/52/23/689515223.db2.gz LXXGODKDPVAJIE-HUUCEWRRSA-N 0 3 303.362 2.212 20 5 DEBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000874845927 689515744 /nfs/dbraw/zinc/51/57/44/689515744.db2.gz WWTMNQDYQXTLHC-ZIAGYGMSSA-N 0 3 307.325 2.043 20 5 DEBDHN CCO[C@@H]1C[C@@H](NCc2c(C)ccc([N+](=O)[O-])c2C)[C@H]1OC ZINC000877352589 690086883 /nfs/dbraw/zinc/08/68/83/690086883.db2.gz ZFMOJGMWDKFAGA-FVQBIDKESA-N 0 3 308.378 2.494 20 5 DEBDHN O=[N+]([O-])c1ccc(N2CCC(NCc3ncc[nH]3)CC2)cc1 ZINC000877672510 690185444 /nfs/dbraw/zinc/18/54/44/690185444.db2.gz GHOITIKZIMCEKJ-UHFFFAOYSA-N 0 3 301.350 2.077 20 5 DEBDHN C[C@H](NC[C@H](O)CC1(O)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000878356769 690387446 /nfs/dbraw/zinc/38/74/46/690387446.db2.gz XVYBILGVZSUYGB-SWLSCSKDSA-N 0 3 308.378 2.302 20 5 DEBDHN CC(C)[C@H](NCc1cn(C)nc1[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC000878596289 690450406 /nfs/dbraw/zinc/45/04/06/690450406.db2.gz BQVJHBVOFJFEIP-GJZGRUSLSA-N 0 3 318.377 2.176 20 5 DEBDHN C[C@@](CO)(NC[C@H]1CCC2(CCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000879273366 690608030 /nfs/dbraw/zinc/60/80/30/690608030.db2.gz UMHGTNFAQOKWIP-CVEARBPZSA-N 0 3 320.389 2.494 20 5 DEBDHN COCCN(Cc1ccc(OC)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000879707209 690711762 /nfs/dbraw/zinc/71/17/62/690711762.db2.gz FOHJUGBLPBGROG-UHFFFAOYSA-N 0 3 324.377 2.231 20 5 DEBDHN Cc1csc([C@@H]2CCN(CCn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000880008923 690779552 /nfs/dbraw/zinc/77/95/52/690779552.db2.gz XHKXUZJFHUFLPG-LLVKDONJSA-N 0 3 307.379 2.046 20 5 DEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(CCCCCO)CC1 ZINC000931497537 694412675 /nfs/dbraw/zinc/41/26/75/694412675.db2.gz OFERVYRRWYNFJR-OAHLLOKOSA-N 0 3 321.421 2.436 20 5 DEBDHN COc1cc(CNCCc2ccns2)c([N+](=O)[O-])cc1OC ZINC000883242126 691464617 /nfs/dbraw/zinc/46/46/17/691464617.db2.gz WHNAUBBVYOFEHS-UHFFFAOYSA-N 0 3 323.374 2.401 20 5 DEBDHN O=[N+]([O-])c1ccc(CNC[C@H](CO)Cc2ccoc2)c(F)c1 ZINC000883270168 691469121 /nfs/dbraw/zinc/46/91/21/691469121.db2.gz HNOKDUDYSCGIBT-GFCCVEGCSA-N 0 3 308.309 2.268 20 5 DEBDHN O=[N+]([O-])c1ncccc1CN[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000886171633 692017071 /nfs/dbraw/zinc/01/70/71/692017071.db2.gz KQCJOYHAFQHIII-MCIONIFRSA-N 0 3 303.362 2.427 20 5 DEBDHN COC[C@@H](NCc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCOC1 ZINC000886357486 692065566 /nfs/dbraw/zinc/06/55/66/692065566.db2.gz HUSRSGNXFFKLRV-IUODEOHRSA-N 0 3 312.341 2.265 20 5 DEBDHN COC[C@@H](NCc1cc(F)ccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000886908409 692227487 /nfs/dbraw/zinc/22/74/87/692227487.db2.gz SMYPFLCAANTYHD-SMDDNHRTSA-N 0 3 312.341 2.265 20 5 DEBDHN C[C@H](N[C@@H]1C[C@H](O)C12CCOCC2)c1ccccc1[N+](=O)[O-] ZINC000927166904 693563637 /nfs/dbraw/zinc/56/36/37/693563637.db2.gz ZFYKEUVNXMJTLO-GLQYFDAESA-N 0 3 306.362 2.175 20 5 DEBDHN CN(CC1CN(C)C1)c1ncnc2c(Cl)cc([N+](=O)[O-])cc21 ZINC001347272243 1151052928 /nfs/dbraw/zinc/05/29/28/1151052928.db2.gz WAJSQKUDTCOLPV-UHFFFAOYSA-N 0 3 321.768 2.189 20 5 DEBDHN C[C@@H]1CN(C)[C@@H](C)CN1c1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001164640700 719169772 /nfs/dbraw/zinc/16/97/72/719169772.db2.gz VMFRKBXMZWBMHA-WDEREUQCSA-N 0 3 301.350 2.067 20 5 DEBDHN N[C@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC001332417180 1149858312 /nfs/dbraw/zinc/85/83/12/1149858312.db2.gz SDXRNMRGKDIFSS-HNNXBMFYSA-N 0 3 320.393 2.031 20 5 DEBDHN O=[N+]([O-])C[C@@H]1CC[C@H](NCc2nc(Br)cs2)C1 ZINC001168999031 784997722 /nfs/dbraw/zinc/99/77/22/784997722.db2.gz RBAYRKJLJKTLAE-SFYZADRCSA-N 0 3 320.212 2.441 20 5 DEBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCN(c3ccccc3F)CC2)C1 ZINC001169026536 785020580 /nfs/dbraw/zinc/02/05/80/785020580.db2.gz MGNGSJAPEWMYIE-KGLIPLIRSA-N 0 3 307.369 2.393 20 5 DEBDHN COc1ccc(C[C@@H](C)NCc2nccnc2C)c([N+](=O)[O-])c1 ZINC001170323440 786909315 /nfs/dbraw/zinc/90/93/15/786909315.db2.gz KFNFARFNDHDLDE-LLVKDONJSA-N 0 3 316.361 2.423 20 5 DEBDHN COc1ccc(C[C@@H](C)NCc2ccncn2)c([N+](=O)[O-])c1 ZINC001170307895 786916001 /nfs/dbraw/zinc/91/60/01/786916001.db2.gz JWUZOVVWKIWNQY-LLVKDONJSA-N 0 3 302.334 2.114 20 5 DEBDHN COc1ccc(C[C@@H](C)N2C[C@@H]3CCO[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170353480 786918013 /nfs/dbraw/zinc/91/80/13/786918013.db2.gz YRELOHZHBKRBRG-PVXIVEMSSA-N 0 3 306.362 2.255 20 5 DEBDHN C[C@H](Nc1cc(Cl)ccc1/C=C/[N+](=O)[O-])[C@H]1CNCCO1 ZINC001170566489 787644188 /nfs/dbraw/zinc/64/41/88/787644188.db2.gz ARFXCKOEELJBPJ-SSOYPGSPSA-N 0 3 311.769 2.376 20 5 DEBDHN CCN(CC)CC(=O)N(C)CCNc1ccc([N+](=O)[O-])c(C)c1 ZINC001101628529 793281292 /nfs/dbraw/zinc/28/12/92/793281292.db2.gz OWVNMQIOOFMVTK-UHFFFAOYSA-N 0 3 322.409 2.115 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)n2ccc(CN)n2)c1F ZINC001173178273 793620738 /nfs/dbraw/zinc/62/07/38/793620738.db2.gz LRFKKBJUTLJDRG-SECBINFHSA-N 0 3 308.313 2.201 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N(C)[C@H]2CCOC2)c1F ZINC001173189288 793623471 /nfs/dbraw/zinc/62/34/71/793623471.db2.gz KCSISJBPPHEWJF-QWRGUYRKSA-N 0 3 312.341 2.394 20 5 DEBDHN Cc1noc(C)c1CCN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001175324924 794182597 /nfs/dbraw/zinc/18/25/97/794182597.db2.gz WTCIDVXMVADNMG-INIZCTEOSA-N 0 3 319.361 2.239 20 5 DEBDHN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N1CC[C@H](N2CC=CC2)C1 ZINC001119384987 795295030 /nfs/dbraw/zinc/29/50/30/795295030.db2.gz GCCQLZHZEBXBRT-LBPRGKRZSA-N 0 3 320.324 2.212 20 5 DEBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC001122814178 795807330 /nfs/dbraw/zinc/80/73/30/795807330.db2.gz RUWNMAHMMPZHII-UHFFFAOYSA-N 0 3 305.378 2.381 20 5 DEBDHN Cc1cc(-n2nccc2CN)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001155130401 797690380 /nfs/dbraw/zinc/69/03/80/797690380.db2.gz PFTAQDYCGQMDRF-UHFFFAOYSA-N 0 3 310.317 2.005 20 5 DEBDHN NCc1ccnn1-c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC001155130394 797690502 /nfs/dbraw/zinc/69/05/02/797690502.db2.gz OYAXANNPDANOEX-UHFFFAOYSA-N 0 3 313.292 2.440 20 5 DEBDHN CCOC(=O)c1ccnc(N[C@@]2(C)CCCN(C)C2)c1[N+](=O)[O-] ZINC001162340988 799066858 /nfs/dbraw/zinc/06/68/58/799066858.db2.gz YCABDIVBVJBQQV-HNNXBMFYSA-N 0 3 322.365 2.063 20 5 DEBDHN COc1cccc(N[C@H]2CCCC[C@@]23CNCCO3)c1[N+](=O)[O-] ZINC001163650726 799395432 /nfs/dbraw/zinc/39/54/32/799395432.db2.gz RIWRQTWIDYFAJD-GOEBONIOSA-N 0 3 321.377 2.317 20 5 DEBDHN Cc1cnc(N[C@H]2CCCC[C@@]23CNCCO3)cc1[N+](=O)[O-] ZINC001163651095 799395645 /nfs/dbraw/zinc/39/56/45/799395645.db2.gz XZBDRYNOMCKXTQ-DZGCQCFKSA-N 0 3 306.366 2.011 20 5 DEBDHN CC[N+](C)(C)Cc1ccccc1NCC[N-]C(=O)C(F)(F)F ZINC001164246175 799552158 /nfs/dbraw/zinc/55/21/58/799552158.db2.gz RUSYTRULCWUMML-UHFFFAOYSA-O 0 3 318.363 2.373 20 5 DEBDHN CC(C)N1CCC[C@@H]1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000933623515 800140632 /nfs/dbraw/zinc/14/06/32/800140632.db2.gz NEEKUNFMKYOHAL-OAHLLOKOSA-N 0 3 305.378 2.126 20 5 DEBDHN CCN1CCC[C@H](O[C@H](C(=O)OC)c2ccccc2[N+](=O)[O-])C1 ZINC001223648075 802806511 /nfs/dbraw/zinc/80/65/11/802806511.db2.gz LVOYQYONEBORTC-WFASDCNBSA-N 0 3 322.361 2.310 20 5 DEBDHN C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603890047 1070137438 /nfs/dbraw/zinc/13/74/38/1070137438.db2.gz ADTCIFXTKSWPGY-JOYOIKCWSA-N 0 3 302.338 2.053 20 5 DEBDHN C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603890047 1070137443 /nfs/dbraw/zinc/13/74/43/1070137443.db2.gz ADTCIFXTKSWPGY-JOYOIKCWSA-N 0 3 302.338 2.053 20 5 DEBDHN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C13CCCN1CCC3)CC2 ZINC001458295051 1058054795 /nfs/dbraw/zinc/05/47/95/1058054795.db2.gz UYLMSQLLSRRONE-UHFFFAOYSA-N 0 3 315.373 2.421 20 5 DEBDHN COc1cc(C[NH2+]CCc2ccncc2)c([N+](=O)[O-])cc1[O-] ZINC001461330000 1058638247 /nfs/dbraw/zinc/63/82/47/1058638247.db2.gz FUKZIVBVODRKKS-UHFFFAOYSA-N 0 3 303.318 2.036 20 5 DEBDHN Cc1c(CNCc2ccnc(-n3cncn3)c2)cccc1[N+](=O)[O-] ZINC001461684626 1058695281 /nfs/dbraw/zinc/69/52/81/1058695281.db2.gz PAAQYQHETFYRFA-UHFFFAOYSA-N 0 3 324.344 2.169 20 5 DEBDHN Cc1[nH]cnc1CC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001465719440 1059351827 /nfs/dbraw/zinc/35/18/27/1059351827.db2.gz HACSCDMUAAMCSO-UHFFFAOYSA-N 0 3 302.334 2.220 20 5 DEBDHN CN1CCCC[C@@H]1CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000044564344 1078341240 /nfs/dbraw/zinc/34/12/40/1078341240.db2.gz INGKTZSFOMYKOR-LLVKDONJSA-N 0 3 311.769 2.462 20 5 DEBDHN C[C@@H](NC1CC1)C(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001576239025 1066532826 /nfs/dbraw/zinc/53/28/26/1066532826.db2.gz KPYYTMBARUPDTN-SECBINFHSA-N 0 3 300.318 2.222 20 5 DEBDHN Cc1ccnc(N2CCN[C@H](c3ccc(O)cc3)C2)c1[N+](=O)[O-] ZINC001640350717 1078656433 /nfs/dbraw/zinc/65/64/33/1078656433.db2.gz OLRPAYHBLXGYNG-AWEZNQCLSA-N 0 3 314.345 2.155 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001644448589 1078846498 /nfs/dbraw/zinc/84/64/98/1078846498.db2.gz JCOWGQWAKQVWDK-SNVBAGLBSA-N 0 3 319.321 2.359 20 5 DEBDHN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC001644824092 1078864755 /nfs/dbraw/zinc/86/47/55/1078864755.db2.gz CJPHTDANIIVZPC-KGLIPLIRSA-N 0 3 321.352 2.351 20 5 DEBDHN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)n1 ZINC001585026150 1076334739 /nfs/dbraw/zinc/33/47/39/1076334739.db2.gz VAZQETOEBKFXKE-ZFWWWQNUSA-N 0 3 318.377 2.045 20 5 DEBDHN C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590261357 1076603911 /nfs/dbraw/zinc/60/39/11/1076603911.db2.gz NAAYFRNRXCIJRJ-WDEREUQCSA-N 0 3 316.365 2.395 20 5 DEBDHN C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590261357 1076603913 /nfs/dbraw/zinc/60/39/13/1076603913.db2.gz NAAYFRNRXCIJRJ-WDEREUQCSA-N 0 3 316.365 2.395 20 5 DEBDHN CC[N@H+](Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(C)(C)C ZINC001609225531 1077807587 /nfs/dbraw/zinc/80/75/87/1077807587.db2.gz MJFFUMBKZYGYPW-UHFFFAOYSA-N 0 3 304.354 2.395 20 5 DEBDHN CC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(C)(C)C ZINC001609225531 1077807594 /nfs/dbraw/zinc/80/75/94/1077807594.db2.gz MJFFUMBKZYGYPW-UHFFFAOYSA-N 0 3 304.354 2.395 20 5 DEBDHN COc1cc(CNC[C@@H](O)c2ccccc2)c([N+](=O)[O-])cc1O ZINC001655200596 1079990069 /nfs/dbraw/zinc/99/00/69/1079990069.db2.gz FDLRNHCMDSWMJX-OAHLLOKOSA-N 0 3 318.329 2.132 20 5 DEBDHN [NH3+]CCN(Cc1ccc([O-])c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC001659110003 1080229489 /nfs/dbraw/zinc/22/94/89/1080229489.db2.gz FKNZFUALYUQMSJ-UHFFFAOYSA-N 0 3 305.309 2.405 20 5 DEBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCNC[C@@H]1C(F)(F)F ZINC001246985759 1141217761 /nfs/dbraw/zinc/21/77/61/1141217761.db2.gz BVNBEGCMZWRTTG-GXFFZTMASA-N 0 3 317.311 2.362 20 5 DEBDHN COC(=O)[C@H]1CCC[C@H]1NCc1ccc([N+](=O)[O-])cc1OC ZINC001323365902 1141846279 /nfs/dbraw/zinc/84/62/79/1141846279.db2.gz LYSAYVUQCRPGMY-QWHCGFSZSA-N 0 3 308.334 2.035 20 5 DEBDHN CCN1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1NC ZINC001338793876 1142878974 /nfs/dbraw/zinc/87/89/74/1142878974.db2.gz VNFYDUODKOSENR-CYBMUJFWSA-N 0 3 320.393 2.241 20 5 DEBDHN CCN(C1COC1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254479676 1143132149 /nfs/dbraw/zinc/13/21/49/1143132149.db2.gz HDUFGZPZLIXBTF-UHFFFAOYSA-N 0 3 305.378 2.284 20 5 DEBDHN C[C@H](CNC(=O)N1CCN[C@H](C)[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC001262598872 1144322152 /nfs/dbraw/zinc/32/21/52/1144322152.db2.gz HQPNVQYZGXXRDW-UPJWGTAASA-N 0 3 320.393 2.090 20 5 DEBDHN C[C@H](NC(=O)NC[C@@H]1CCCCN1C)c1ccccc1[N+](=O)[O-] ZINC001263151438 1144358719 /nfs/dbraw/zinc/35/87/19/1144358719.db2.gz BVFZQAJWGRPFBU-STQMWFEESA-N 0 3 320.393 2.439 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1CNC1(CC(N)=O)CCCCC1 ZINC001308143263 1147448713 /nfs/dbraw/zinc/44/87/13/1147448713.db2.gz WADFAYZHYBXMPL-UHFFFAOYSA-N 0 3 321.377 2.271 20 5 DEBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC(CCCO)CC2)c1 ZINC000272872553 210262073 /nfs/dbraw/zinc/26/20/73/210262073.db2.gz AWBLVAZCMNXOSO-MRXNPFEDSA-N 0 3 308.378 2.113 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCCN1CCOCC1 ZINC000151193621 282112819 /nfs/dbraw/zinc/11/28/19/282112819.db2.gz HDVKIFYJWMTDOA-AWEZNQCLSA-N 0 3 307.394 2.276 20 5 DEBDHN CC(=O)Nc1cccc([C@@H](C)NCCn2cc([N+](=O)[O-])cn2)c1 ZINC000090538644 185301596 /nfs/dbraw/zinc/30/15/96/185301596.db2.gz XTHQRVWVZMNBDP-LLVKDONJSA-N 0 3 317.349 2.101 20 5 DEBDHN CCNC(=O)N1CC[C@H](N[C@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000181336275 199282483 /nfs/dbraw/zinc/28/24/83/199282483.db2.gz HMVBUXYXRRZWSJ-DZGCQCFKSA-N 0 3 320.393 2.439 20 5 DEBDHN COc1ccc(NC(=O)N(CCN(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000272780960 210184945 /nfs/dbraw/zinc/18/49/45/210184945.db2.gz DTWKLZPDBWMHBR-UHFFFAOYSA-N 0 3 324.381 2.407 20 5 DEBDHN O=C(Nc1ccncc1[N+](=O)[O-])N1CC[C@H](N2CCCCC2)C1 ZINC000272744836 210148082 /nfs/dbraw/zinc/14/80/82/210148082.db2.gz RSNZBOIDTIIUOY-LBPRGKRZSA-N 0 3 319.365 2.082 20 5 DEBDHN CN1CC[C@@H]2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000272675294 210078610 /nfs/dbraw/zinc/07/86/10/210078610.db2.gz UNPPGAXCYAZMKP-JWLFTQPQSA-N 0 3 315.373 2.161 20 5 DEBDHN Cc1ccccc1CN(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000159697419 186136114 /nfs/dbraw/zinc/13/61/14/186136114.db2.gz SIPPCPIRRAOBQV-UHFFFAOYSA-N 0 3 301.346 2.197 20 5 DEBDHN O=[N+]([O-])c1cc(F)ccc1CN[C@H](C1CC1)[C@]1(CO)CCCO1 ZINC000595505241 358467393 /nfs/dbraw/zinc/46/73/93/358467393.db2.gz PCFOJIZCOAZIOK-HZPDHXFCSA-N 0 3 324.352 2.144 20 5 DEBDHN C[C@@]1(CO)CCC[C@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331817638 234157579 /nfs/dbraw/zinc/15/75/79/234157579.db2.gz YSZWVXFQQXKCKK-HIFRSBDPSA-N 0 3 304.350 2.112 20 5 DEBDHN CN(C)C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000182149308 199393115 /nfs/dbraw/zinc/39/31/15/199393115.db2.gz VTICJGKYFHKHKK-CYBMUJFWSA-N 0 3 313.785 2.011 20 5 DEBDHN C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000182172153 199396961 /nfs/dbraw/zinc/39/69/61/199396961.db2.gz RAQWYKJQUCXFTJ-NSHDSACASA-N 0 3 314.407 2.393 20 5 DEBDHN Cc1c(C(=O)NCCN2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000046956916 354299098 /nfs/dbraw/zinc/29/90/98/354299098.db2.gz XPBPALVPWIJWIW-UHFFFAOYSA-N 0 3 305.378 2.365 20 5 DEBDHN CN(C)[C@H](CNc1c([N+](=O)[O-])ncn1C)c1ccc(F)cc1 ZINC000059394254 354605225 /nfs/dbraw/zinc/60/52/25/354605225.db2.gz VREJCIPZNKVYGX-GFCCVEGCSA-N 0 3 307.329 2.182 20 5 DEBDHN C[C@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)N1CCC(C)CC1 ZINC000067273467 354754866 /nfs/dbraw/zinc/75/48/66/354754866.db2.gz SZBWEPSGNXOESC-GFCCVEGCSA-N 0 3 320.393 2.027 20 5 DEBDHN CC(=O)NC[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000067413303 354761249 /nfs/dbraw/zinc/76/12/49/354761249.db2.gz GFLOOJPJXVXHBG-CQSZACIVSA-N 0 3 305.378 2.251 20 5 DEBDHN CCN(Cc1ccc(CN(C)C)cc1)c1c([N+](=O)[O-])ncn1C ZINC000066816204 354734835 /nfs/dbraw/zinc/73/48/35/354734835.db2.gz MAMXWTTVRASFLS-UHFFFAOYSA-N 0 3 317.393 2.416 20 5 DEBDHN CN(C)[C@H]1CCCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000067044919 354744867 /nfs/dbraw/zinc/74/48/67/354744867.db2.gz JWKUXEGHOIDDMM-VSGCLNPGSA-N 0 3 303.362 2.161 20 5 DEBDHN C[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)N1CCCCCC1 ZINC000074048499 355001883 /nfs/dbraw/zinc/00/18/83/355001883.db2.gz GCPBGGBVXBAXOI-CYBMUJFWSA-N 0 3 305.378 2.476 20 5 DEBDHN C[C@H](NCCn1cnnc1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000090034115 355552381 /nfs/dbraw/zinc/55/23/81/355552381.db2.gz FNJLZLUJNXEGIO-NSHDSACASA-N 0 3 301.350 2.415 20 5 DEBDHN C[C@@H](N[C@@H](C)CCN1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000090048079 355553427 /nfs/dbraw/zinc/55/34/27/355553427.db2.gz VODXKGIQJBNQJA-UONOGXRCSA-N 0 3 307.394 2.356 20 5 DEBDHN CCN(C)CCNc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000091461258 355597595 /nfs/dbraw/zinc/59/75/95/355597595.db2.gz DGVNPDPOUXGYJS-UHFFFAOYSA-N 0 3 308.382 2.097 20 5 DEBDHN CC[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCCO1 ZINC000182279807 356119454 /nfs/dbraw/zinc/11/94/54/356119454.db2.gz GDHPDBIIBMOBAE-HIFRSBDPSA-N 0 3 321.377 2.389 20 5 DEBDHN CC[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1c(C)noc1C ZINC000182518148 356130546 /nfs/dbraw/zinc/13/05/46/356130546.db2.gz DERKVTNMJCKHPU-CYBMUJFWSA-N 0 3 320.349 2.102 20 5 DEBDHN O=C(CNCCc1ccc([N+](=O)[O-])cc1)NC1CCCCC1 ZINC000314997728 356421347 /nfs/dbraw/zinc/42/13/47/356421347.db2.gz BPFHDOFVWPQKAO-UHFFFAOYSA-N 0 3 305.378 2.176 20 5 DEBDHN O=C(c1ccccc1[N+](=O)[O-])N1CCNC2(CCCCC2)C1 ZINC000400741961 356724934 /nfs/dbraw/zinc/72/49/34/356724934.db2.gz DPEYHLDDUPYPQW-UHFFFAOYSA-N 0 3 303.362 2.343 20 5 DEBDHN C[C@H](C(=O)N(C)CC1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000580023857 357065815 /nfs/dbraw/zinc/06/58/15/357065815.db2.gz GGWDNAHOUPZAGS-ZDUSSCGKSA-N 0 3 319.405 2.499 20 5 DEBDHN CCn1nc(C)c([N+](=O)[O-])c1N1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000588071905 357391988 /nfs/dbraw/zinc/39/19/88/357391988.db2.gz UQHAZJPMESQJLM-AAEUAGOBSA-N 0 3 307.398 2.183 20 5 DEBDHN CCc1nn(C)c(N2CCN(C3CCC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000589877339 357503244 /nfs/dbraw/zinc/50/32/44/357503244.db2.gz YCZAYKAGJRMEOA-GFCCVEGCSA-N 0 3 321.425 2.201 20 5 DEBDHN O=C(Nc1ccccc1Nc1ccncc1)c1n[nH]cc1[N+](=O)[O-] ZINC000590541061 357554931 /nfs/dbraw/zinc/55/49/31/357554931.db2.gz YVAQCXUIXASGLP-UHFFFAOYSA-N 0 3 324.300 2.131 20 5 DEBDHN O=C(Nc1ccccc1Nc1cc[nH+]cc1)c1n[n-]cc1[N+](=O)[O-] ZINC000590541061 357554934 /nfs/dbraw/zinc/55/49/34/357554934.db2.gz YVAQCXUIXASGLP-UHFFFAOYSA-N 0 3 324.300 2.131 20 5 DEBDHN CC(C)[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCN1 ZINC000592242988 357856223 /nfs/dbraw/zinc/85/62/23/357856223.db2.gz XTMNEWVSNCZFQO-CYBMUJFWSA-N 0 3 311.769 2.318 20 5 DEBDHN CCCN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000592829306 357953434 /nfs/dbraw/zinc/95/34/34/357953434.db2.gz NFLNKMWVZWTYIU-OAHLLOKOSA-N 0 3 305.378 2.080 20 5 DEBDHN CN(C(=O)CNC1(C2CCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000593079895 358003325 /nfs/dbraw/zinc/00/33/25/358003325.db2.gz IIBFKLHQGSTOJP-UHFFFAOYSA-N 0 3 303.362 2.480 20 5 DEBDHN C[C@H](CO)C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000593080921 358003929 /nfs/dbraw/zinc/00/39/29/358003929.db2.gz CANAQLWMNFKSGV-CYBMUJFWSA-N 0 3 308.378 2.314 20 5 DEBDHN C[C@@H](CO)C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000593084140 358004672 /nfs/dbraw/zinc/00/46/72/358004672.db2.gz NGTCJWMOEFLPQY-ZDUSSCGKSA-N 0 3 308.378 2.314 20 5 DEBDHN CN(CCN1CCCCC1)c1ncnc2cccc([N+](=O)[O-])c21 ZINC000593516758 358095275 /nfs/dbraw/zinc/09/52/75/358095275.db2.gz QSSWNIBTMVXWBN-UHFFFAOYSA-N 0 3 315.377 2.460 20 5 DEBDHN Cc1ccc([C@@H](C)NCC[C@@]2(O)CCCOC2)cc1[N+](=O)[O-] ZINC000593722245 358130336 /nfs/dbraw/zinc/13/03/36/358130336.db2.gz VWJCNPAHNWDNIO-CJNGLKHVSA-N 0 3 308.378 2.485 20 5 DEBDHN Cn1ccnc1[C@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000593968979 358181133 /nfs/dbraw/zinc/18/11/33/358181133.db2.gz UPDBFUUINLZNKZ-ZDUSSCGKSA-N 0 3 316.361 2.197 20 5 DEBDHN C[C@@H](CN1CCCC1=O)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594503276 358285217 /nfs/dbraw/zinc/28/52/17/358285217.db2.gz IRZDUBXDYDEFDM-SMDDNHRTSA-N 0 3 303.362 2.183 20 5 DEBDHN CC[C@@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000595765084 358543530 /nfs/dbraw/zinc/54/35/30/358543530.db2.gz GWPIOBZWRXNRDZ-CQSZACIVSA-N 0 3 303.362 2.262 20 5 DEBDHN CC(C)[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CCN1 ZINC000596501346 358700818 /nfs/dbraw/zinc/70/08/18/358700818.db2.gz NLLJMLDEBMAJCP-ZDUSSCGKSA-N 0 3 310.329 2.196 20 5 DEBDHN Cc1cccc(C(=O)N2CCC[C@]3(CCN(C)C3)C2)c1[N+](=O)[O-] ZINC000597713590 358985154 /nfs/dbraw/zinc/98/51/54/358985154.db2.gz DDOFEZPNQNBMJN-QGZVFWFLSA-N 0 3 317.389 2.461 20 5 DEBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000598261006 359140040 /nfs/dbraw/zinc/14/00/40/359140040.db2.gz CKIJUGDOPNXACU-ZDUSSCGKSA-N 0 3 305.378 2.445 20 5 DEBDHN CCCN1CC[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000598341596 359168453 /nfs/dbraw/zinc/16/84/53/359168453.db2.gz DJAYNQIPWMZZBF-CQSZACIVSA-N 0 3 305.378 2.046 20 5 DEBDHN C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)CN1 ZINC000598916294 359356794 /nfs/dbraw/zinc/35/67/94/359356794.db2.gz WXJFVXZTXHPGFE-IUCAKERBSA-N 0 3 312.757 2.462 20 5 DEBDHN CSc1ccc(C(=O)N(C)CCN(C)C2CC2)cc1[N+](=O)[O-] ZINC000186772490 200008246 /nfs/dbraw/zinc/00/82/46/200008246.db2.gz KVIZYMJPRTYPPH-UHFFFAOYSA-N 0 3 323.418 2.483 20 5 DEBDHN O=C(c1c(F)cccc1[N+](=O)[O-])N1CC[C@@H](N2CCCC2)C1 ZINC000601030979 359900167 /nfs/dbraw/zinc/90/01/67/359900167.db2.gz BUNOGRUYRCAQDU-LLVKDONJSA-N 0 3 307.325 2.044 20 5 DEBDHN C[C@@H](CN1CCCCC1)NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000600996084 359887416 /nfs/dbraw/zinc/88/74/16/359887416.db2.gz RTMJAAFHPTWNKH-NSHDSACASA-N 0 3 309.341 2.338 20 5 DEBDHN CCN(C)C(=O)[C@H](C)N[C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000189397427 200393930 /nfs/dbraw/zinc/39/39/30/200393930.db2.gz QLTHEEYTJMQMPX-OLZOCXBDSA-N 0 3 307.394 2.372 20 5 DEBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNCCN1CCC1 ZINC000602573262 360440008 /nfs/dbraw/zinc/44/00/08/360440008.db2.gz ZWBDJSMEOBDDBZ-UHFFFAOYSA-N 0 3 303.284 2.409 20 5 DEBDHN CCOC(=O)c1ccc(CNCCc2cccc([N+](=O)[O-])c2)[nH]1 ZINC000602581637 360443015 /nfs/dbraw/zinc/44/30/15/360443015.db2.gz YDPPBCFLSRQVEW-UHFFFAOYSA-N 0 3 317.345 2.432 20 5 DEBDHN O=[N+]([O-])c1ccc2oc(CNCCCn3ccnc3)nc2c1 ZINC000602503091 360407575 /nfs/dbraw/zinc/40/75/75/360407575.db2.gz LAFILJRKYOVDEB-UHFFFAOYSA-N 0 3 301.306 2.112 20 5 DEBDHN C[C@@H](CO)CNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602521499 360416240 /nfs/dbraw/zinc/41/62/40/360416240.db2.gz OYTHXNHTNZGEQE-ZCFIWIBFSA-N 0 3 309.185 2.137 20 5 DEBDHN C[C@@H](CN(C)C)NCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602654284 360476966 /nfs/dbraw/zinc/47/69/66/360476966.db2.gz LNKIJKKLFADVRL-ZETCQYMHSA-N 0 3 322.228 2.459 20 5 DEBDHN CCO[C@H]1C[C@@H](N(C)CCn2c(C)ncc2[N+](=O)[O-])C12CCC2 ZINC000602783903 360551872 /nfs/dbraw/zinc/55/18/72/360551872.db2.gz HRPKKQMFODUVBX-KGLIPLIRSA-N 0 3 322.409 2.379 20 5 DEBDHN Cc1[nH]ncc1CN(C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000602936891 360635007 /nfs/dbraw/zinc/63/50/07/360635007.db2.gz GCWYMWKLPQEZKK-UHFFFAOYSA-N 0 3 318.333 2.125 20 5 DEBDHN CC1(F)CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000602992885 360658874 /nfs/dbraw/zinc/65/88/74/360658874.db2.gz IUJQGESWBHUKRK-LBPRGKRZSA-N 0 3 312.341 2.159 20 5 DEBDHN CN1CC=C(CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000272014563 209383407 /nfs/dbraw/zinc/38/34/07/209383407.db2.gz UISOPOMKMGUKOC-UHFFFAOYSA-N 0 3 309.753 2.240 20 5 DEBDHN CCC(=O)c1ccc(NC[C@@H]2CSCCN2)c([N+](=O)[O-])c1 ZINC000603418966 360825872 /nfs/dbraw/zinc/82/58/72/360825872.db2.gz JWTDOLPRWAVSAF-LLVKDONJSA-N 0 3 309.391 2.304 20 5 DEBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1ccccn1 ZINC000604476562 360908636 /nfs/dbraw/zinc/90/86/36/360908636.db2.gz ZMFFSSARZPQFEW-GFCCVEGCSA-N 0 3 314.345 2.497 20 5 DEBDHN CCc1ccc(C(=O)NCC2=CCN(C)CC2)cc1[N+](=O)[O-] ZINC000271897007 209305639 /nfs/dbraw/zinc/30/56/39/209305639.db2.gz PIXOQIRRBWSCBJ-UHFFFAOYSA-N 0 3 303.362 2.149 20 5 DEBDHN CSCCCN(C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000281462118 216316899 /nfs/dbraw/zinc/31/68/99/216316899.db2.gz RHBMWZGQISCTNG-ZDUSSCGKSA-N 0 3 314.407 2.019 20 5 DEBDHN O=[N+]([O-])c1cc2c(cc1CN[C@@H]1CCCSC1)OCCO2 ZINC000610511572 361413861 /nfs/dbraw/zinc/41/38/61/361413861.db2.gz HOGNFJTZIAEWTM-LLVKDONJSA-N 0 3 310.375 2.351 20 5 DEBDHN CN(c1ncnc2ccc([N+](=O)[O-])cc21)[C@H]1CCCN(C)C1 ZINC000611705532 361661831 /nfs/dbraw/zinc/66/18/31/361661831.db2.gz FNBFVRAWKXFGPX-LBPRGKRZSA-N 0 3 301.350 2.068 20 5 DEBDHN Cc1ncc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c(=O)[n-]1 ZINC000449231639 240229418 /nfs/dbraw/zinc/22/94/18/240229418.db2.gz FCHNLHXPJUAWHF-SNVBAGLBSA-N 0 3 302.334 2.120 20 5 DEBDHN CO[C@H]1C[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1(C)C ZINC000451502721 243041234 /nfs/dbraw/zinc/04/12/34/243041234.db2.gz PMSCLKJOJBKRNT-KBPBESRZSA-N 0 3 321.377 2.245 20 5 DEBDHN CC[C@@H]1CN(CC)CCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000451734693 243384492 /nfs/dbraw/zinc/38/44/92/243384492.db2.gz CGNYJKMCPVIYKJ-GFCCVEGCSA-N 0 3 317.393 2.387 20 5 DEBDHN CN1CC[C@H](CNc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000093433876 193250914 /nfs/dbraw/zinc/25/09/14/193250914.db2.gz ZGCOPOZQLXHIGM-MRVPVSSYSA-N 0 3 315.171 2.116 20 5 DEBDHN CC[C@H]1CN(c2ccc([N+](=O)[O-])c(C)c2)CCN1C[C@H](C)O ZINC000266433016 205340610 /nfs/dbraw/zinc/34/06/10/205340610.db2.gz URSRBSDDVLHYOZ-KBPBESRZSA-N 0 3 307.394 2.185 20 5 DEBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN(C[C@@H]2CCOC2)CC1 ZINC000267380215 206025085 /nfs/dbraw/zinc/02/50/85/206025085.db2.gz GGBHYIBLMJBRGX-GJZGRUSLSA-N 0 3 319.405 2.310 20 5 DEBDHN C[C@@H](CNc1ncc(Br)cc1[N+](=O)[O-])N(C)C ZINC000042371391 183260477 /nfs/dbraw/zinc/26/04/77/183260477.db2.gz TUOFFIHFTRRSHR-ZETCQYMHSA-N 0 3 303.160 2.114 20 5 DEBDHN C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cn2)CN1Cc1ccccc1 ZINC000274007994 211265735 /nfs/dbraw/zinc/26/57/35/211265735.db2.gz UOJDRBPLOZAMFF-TZMCWYRMSA-N 0 3 313.361 2.460 20 5 DEBDHN CC1=CC[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000285222530 218339215 /nfs/dbraw/zinc/33/92/15/218339215.db2.gz OWYMSKAWEQAFFQ-ZDUSSCGKSA-N 0 3 324.402 2.457 20 5 DEBDHN O=[N+]([O-])c1ccc(CN(CCN2CCCOCC2)C2CC2)cc1 ZINC000429695018 285111204 /nfs/dbraw/zinc/11/12/04/285111204.db2.gz GDNMSEBCCISMIG-UHFFFAOYSA-N 0 3 319.405 2.282 20 5 DEBDHN COc1ccc(NC(=O)NCCN2CCCCC2)cc1[N+](=O)[O-] ZINC000272879192 210269267 /nfs/dbraw/zinc/26/92/67/210269267.db2.gz WGVCNRSJAHFYLE-UHFFFAOYSA-N 0 3 322.365 2.211 20 5 DEBDHN Cc1c([C@H](C)N[C@H](C)CN2CCOCC2)cccc1[N+](=O)[O-] ZINC000156784124 197140073 /nfs/dbraw/zinc/14/00/73/197140073.db2.gz UODWBMYFGASHMJ-OCCSQVGLSA-N 0 3 307.394 2.275 20 5 DEBDHN C[C@H](C(=O)NCCN1CC[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000542659197 285241399 /nfs/dbraw/zinc/24/13/99/285241399.db2.gz MJAGSRVQPLKCCB-RYUDHWBXSA-N 0 3 323.368 2.295 20 5 DEBDHN COCC1(NC/C=C/c2ccccc2[N+](=O)[O-])CCOCC1 ZINC000560558775 291941093 /nfs/dbraw/zinc/94/10/93/291941093.db2.gz TUVKMPIMLGLBPI-GQCTYLIASA-N 0 3 306.362 2.393 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(N2C[C@@H](N(C)C)[C@@H](SC)C2)c1 ZINC000271625994 209071484 /nfs/dbraw/zinc/07/14/84/209071484.db2.gz MYQPWQJNXNGTLD-KGLIPLIRSA-N 0 3 311.407 2.085 20 5 DEBDHN COc1cccc(C(=O)NC[C@H](CC(C)C)N(C)C)c1[N+](=O)[O-] ZINC000192565143 533410702 /nfs/dbraw/zinc/41/07/02/533410702.db2.gz JIHASYSIVFBQBG-LBPRGKRZSA-N 0 3 323.393 2.310 20 5 DEBDHN COc1ccc(CN2CC[C@H](O)C23CCCC3)cc1[N+](=O)[O-] ZINC000292568667 533568833 /nfs/dbraw/zinc/56/88/33/533568833.db2.gz BMXAPGDEIMKVRO-HNNXBMFYSA-N 0 3 306.362 2.483 20 5 DEBDHN C[C@@H](CCN(C)C)NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000294929136 533569295 /nfs/dbraw/zinc/56/92/95/533569295.db2.gz LGJWELBHHBQIRU-LBPRGKRZSA-N 0 3 321.377 2.014 20 5 DEBDHN C[C@H](NC(=O)N1C[C@H](C)NC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000418229270 533618614 /nfs/dbraw/zinc/61/86/14/533618614.db2.gz GQDZCYNPIKYZBT-SRVKXCTJSA-N 0 3 306.366 2.048 20 5 DEBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000246435681 145102753 /nfs/dbraw/zinc/10/27/53/145102753.db2.gz BDLSFXGKBULMFL-GJZGRUSLSA-N 0 3 317.389 2.080 20 5 DEBDHN O=C(NC[C@@H]1NCCc2ccccc21)c1ccc([N+](=O)[O-])s1 ZINC000262556691 145292932 /nfs/dbraw/zinc/29/29/32/145292932.db2.gz UHNMWNHYYFDPKO-LBPRGKRZSA-N 0 3 317.370 2.273 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CCC1(C)C ZINC000565168530 292140658 /nfs/dbraw/zinc/14/06/58/292140658.db2.gz DJUQKMLYFHJICF-ZDUSSCGKSA-N 0 3 307.350 2.320 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](C)[C@H]1CCCOC1 ZINC000348143207 146223258 /nfs/dbraw/zinc/22/32/58/146223258.db2.gz HUTULJKAJPTOFT-STQMWFEESA-N 0 3 321.377 2.246 20 5 DEBDHN CCOC[C@H](NCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(C)C ZINC000348471365 146276032 /nfs/dbraw/zinc/27/60/32/146276032.db2.gz UJYIWRIOGVHBAR-HNNXBMFYSA-N 0 3 323.393 2.492 20 5 DEBDHN CN(C)CCN(Cc1ccccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000349044710 146344219 /nfs/dbraw/zinc/34/42/19/146344219.db2.gz XWNVRVXKFIRLSD-OAHLLOKOSA-N 0 3 307.394 2.137 20 5 DEBDHN CCOC[C@@H](O)CN[C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000349207894 146359079 /nfs/dbraw/zinc/35/90/79/146359079.db2.gz JAAWFOWQDUVBPW-YPMHNXCESA-N 0 3 312.366 2.042 20 5 DEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC3(CC3)CC2)c1 ZINC000370271266 148001803 /nfs/dbraw/zinc/00/18/03/148001803.db2.gz RUCAHDVGRGADPF-CQSZACIVSA-N 0 3 306.362 2.211 20 5 DEBDHN Cc1c([C@H](C)NC[C@H](O)COCC2CC2)cccc1[N+](=O)[O-] ZINC000129910141 401811637 /nfs/dbraw/zinc/81/16/37/401811637.db2.gz XSDPOLGBXWARLG-JSGCOSHPSA-N 0 3 308.378 2.341 20 5 DEBDHN Cc1cccc(C(=O)NCCN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000047120036 401979344 /nfs/dbraw/zinc/97/93/44/401979344.db2.gz MXNKBHHUXJABLI-UHFFFAOYSA-N 0 3 305.378 2.365 20 5 DEBDHN Cc1ccc([C@H](C)N[C@@H](C)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000121376906 402032297 /nfs/dbraw/zinc/03/22/97/402032297.db2.gz WVSOOGJQPBQCHQ-KBPBESRZSA-N 0 3 307.394 2.275 20 5 DEBDHN CCCN(CCN(C)C)C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000120859183 402004403 /nfs/dbraw/zinc/00/44/03/402004403.db2.gz OITFGCHYMJETLN-UHFFFAOYSA-N 0 3 307.394 2.246 20 5 DEBDHN CN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000068192466 402186512 /nfs/dbraw/zinc/18/65/12/402186512.db2.gz SNTCZKZIBILOLE-UHFFFAOYSA-N 0 3 311.769 2.414 20 5 DEBDHN CN1CCC[C@H](CNC(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000108332994 402250056 /nfs/dbraw/zinc/25/00/56/402250056.db2.gz CESCYOOMGOAEKW-MMQHEFTJSA-N 0 3 303.362 2.066 20 5 DEBDHN C[C@@H](C(=O)NCCN1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000184793491 402300071 /nfs/dbraw/zinc/30/00/71/402300071.db2.gz NWIDMNZKVPLWJQ-LLVKDONJSA-N 0 3 309.341 2.049 20 5 DEBDHN Cc1cc(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000177088798 402368753 /nfs/dbraw/zinc/36/87/53/402368753.db2.gz RYNJDMVLAFIABM-WCQYABFASA-N 0 3 303.362 2.258 20 5 DEBDHN COCCO[C@@H]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000189652975 402550383 /nfs/dbraw/zinc/55/03/83/402550383.db2.gz XDNSBWXHBTYCSZ-MRXNPFEDSA-N 0 3 324.377 2.101 20 5 DEBDHN COc1cc(C(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000247504878 402570193 /nfs/dbraw/zinc/57/01/93/402570193.db2.gz VEWDMRFRLQSUMV-WCQYABFASA-N 0 3 321.377 2.016 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCCO[C@@H](C)C1 ZINC000170774597 402523425 /nfs/dbraw/zinc/52/34/25/402523425.db2.gz HQTPRLSORANFMN-ZDUSSCGKSA-N 0 3 321.377 2.343 20 5 DEBDHN Cc1ccc([C@@H](C)NCCN2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000178767299 402536969 /nfs/dbraw/zinc/53/69/69/402536969.db2.gz FOBIUPFVKSAETL-ZIAGYGMSSA-N 0 3 307.394 2.275 20 5 DEBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000248753149 402607017 /nfs/dbraw/zinc/60/70/17/402607017.db2.gz HQLJFOPJHIJXTN-NEPJUHHUSA-N 0 3 320.393 2.148 20 5 DEBDHN C[C@@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CCS1 ZINC000171694152 402610712 /nfs/dbraw/zinc/61/07/12/402610712.db2.gz WHHLVJWPLXPCHY-LLVKDONJSA-N 0 3 309.391 2.361 20 5 DEBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCCOC[C@@H]1CCCO1 ZINC000566474685 292245337 /nfs/dbraw/zinc/24/53/37/292245337.db2.gz IFYWBIHFOIGZDF-WFASDCNBSA-N 0 3 306.362 2.367 20 5 DEBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCCC1(O)CCOCC1 ZINC000566476417 292245742 /nfs/dbraw/zinc/24/57/42/292245742.db2.gz YQSUUFSPXQCUEA-AWEZNQCLSA-N 0 3 306.362 2.103 20 5 DEBDHN CN(C[C@H]1CCCN(C)C1)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000255354085 402685222 /nfs/dbraw/zinc/68/52/22/402685222.db2.gz WLXDBLITFKDEEX-XMELGKRDSA-N 0 3 317.389 2.408 20 5 DEBDHN CCOc1ccc([C@H](C)NCC(C)(C)C(=O)NC)cc1[N+](=O)[O-] ZINC000183221722 402748627 /nfs/dbraw/zinc/74/86/27/402748627.db2.gz AWDPADLXDMYHDL-NSHDSACASA-N 0 3 323.393 2.416 20 5 DEBDHN C[C@H](CN1CCCCC1)NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000193201605 402768303 /nfs/dbraw/zinc/76/83/03/402768303.db2.gz BCTZPSDZRJAXLW-CYBMUJFWSA-N 0 3 320.393 2.268 20 5 DEBDHN CC(C)(CNC(=O)Nc1ccncc1[N+](=O)[O-])N1CCCCC1 ZINC000183587791 402779091 /nfs/dbraw/zinc/77/90/91/402779091.db2.gz XGQHHJQIPNBNFB-UHFFFAOYSA-N 0 3 321.381 2.376 20 5 DEBDHN CCN(CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000263737642 402797356 /nfs/dbraw/zinc/79/73/56/402797356.db2.gz NXCGEQLZFBGLNM-UHFFFAOYSA-N 0 3 311.769 2.462 20 5 DEBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCCN1C ZINC000194731000 402812978 /nfs/dbraw/zinc/81/29/78/402812978.db2.gz QZRSTKTYJFSEKH-DGCLKSJQSA-N 0 3 323.418 2.286 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](CCO)C(C)(C)C ZINC000183673150 402787576 /nfs/dbraw/zinc/78/75/76/402787576.db2.gz OWDUIIRRMRHOLI-AWEZNQCLSA-N 0 3 323.393 2.228 20 5 DEBDHN CCN1CCC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273468181 403007352 /nfs/dbraw/zinc/00/73/52/403007352.db2.gz NXFGMLCRRJVAOT-NSHDSACASA-N 0 3 310.329 2.340 20 5 DEBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000268189595 403059955 /nfs/dbraw/zinc/05/99/55/403059955.db2.gz MRAHVAMNULYQLU-XPTSAGLGSA-N 0 3 323.780 2.461 20 5 DEBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000268260318 403067868 /nfs/dbraw/zinc/06/78/68/403067868.db2.gz ZARRTAKWXMPOPM-ZANVPECISA-N 0 3 323.780 2.461 20 5 DEBDHN CCc1ccc(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000268280126 403070057 /nfs/dbraw/zinc/07/00/57/403070057.db2.gz XAOQUWGBLSSSIZ-ABAIWWIYSA-N 0 3 317.389 2.370 20 5 DEBDHN C[C@H](NC(=O)NCC1(N(C)C)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000275538734 403103667 /nfs/dbraw/zinc/10/36/67/403103667.db2.gz YLJVQQJFCGKBNB-LBPRGKRZSA-N 0 3 320.393 2.439 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CCN(C)C ZINC000281959182 403108468 /nfs/dbraw/zinc/10/84/68/403108468.db2.gz MYRADRIGERWHDK-UHFFFAOYSA-N 0 3 310.354 2.019 20 5 DEBDHN CC[C@H](O)[C@@H]1CCCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269642114 403152717 /nfs/dbraw/zinc/15/27/17/403152717.db2.gz JPCIEZOEPZTJKZ-HRCADAONSA-N 0 3 308.378 2.254 20 5 DEBDHN CS[C@H]1CN(C(=O)c2cccc(C)c2[N+](=O)[O-])C[C@H]1N(C)C ZINC000270467139 403193210 /nfs/dbraw/zinc/19/32/10/403193210.db2.gz LLEMBVKSHHLMKH-OLZOCXBDSA-N 0 3 323.418 2.021 20 5 DEBDHN CN(C)C/C=C/C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000270931622 403240983 /nfs/dbraw/zinc/24/09/83/403240983.db2.gz LQWSVKWLBZQVPS-ONEGZZNKSA-N 0 3 303.362 2.204 20 5 DEBDHN CCC[C@]1(CO)CCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000277825314 403261224 /nfs/dbraw/zinc/26/12/24/403261224.db2.gz RBUMDNSKTIVGKZ-HZPDHXFCSA-N 0 3 308.378 2.255 20 5 DEBDHN CCC[C@]1(NCC(=O)Nc2ccccc2[N+](=O)[O-])CCOC1 ZINC000285765528 403375311 /nfs/dbraw/zinc/37/53/11/403375311.db2.gz ZSDCUXGXPITXCD-HNNXBMFYSA-N 0 3 307.350 2.082 20 5 DEBDHN CCN1CCCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000342918949 403396105 /nfs/dbraw/zinc/39/61/05/403396105.db2.gz GEJLMMUFAKXEAY-UHFFFAOYSA-N 0 3 316.361 2.244 20 5 DEBDHN C[C@H](NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(=O)[nH]n1 ZINC000285917669 403410051 /nfs/dbraw/zinc/41/00/51/403410051.db2.gz CFJVBMNHHZAWBM-VIFPVBQESA-N 0 3 322.752 2.225 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1CN[C@H](C1CC1)C(C)(C)CO ZINC000339731175 403432356 /nfs/dbraw/zinc/43/23/56/403432356.db2.gz YCXIFDYSNCHYRJ-OAHLLOKOSA-N 0 3 308.378 2.490 20 5 DEBDHN CN1CCC[C@@]2(CCN(C(=O)c3csc([N+](=O)[O-])c3)C2)C1 ZINC000293852612 403580882 /nfs/dbraw/zinc/58/08/82/403580882.db2.gz DESCUFMKEUGFKQ-CQSZACIVSA-N 0 3 309.391 2.214 20 5 DEBDHN CCNc1ccc(C(=O)N[C@H]2CCCN(C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000343424038 403583494 /nfs/dbraw/zinc/58/34/94/403583494.db2.gz CDUNEPFLBDMXIT-YPMHNXCESA-N 0 3 320.393 2.239 20 5 DEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC[C@@H](OCCO)C1 ZINC000347340637 403670913 /nfs/dbraw/zinc/67/09/13/403670913.db2.gz PDXCMNWSYSJRBN-OOXMNIKJSA-N 0 3 320.389 2.471 20 5 DEBDHN CCCN1CCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000343633613 403671782 /nfs/dbraw/zinc/67/17/82/403671782.db2.gz UIZKYIFJEIQXFC-LBPRGKRZSA-N 0 3 321.377 2.208 20 5 DEBDHN CCN1CCCC[C@H]1CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000347775992 403861755 /nfs/dbraw/zinc/86/17/55/403861755.db2.gz KVMDTXWDUDRDQB-AWEZNQCLSA-N 0 3 305.378 2.128 20 5 DEBDHN CO[C@H](C)CN(C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000289260475 403887436 /nfs/dbraw/zinc/88/74/36/403887436.db2.gz FRIYPZPIPLAIJN-GFCCVEGCSA-N 0 3 318.377 2.462 20 5 DEBDHN C[C@@H]1[C@H](Nc2ncnc3cccc([N+](=O)[O-])c32)CCCN1C ZINC000347881898 403928441 /nfs/dbraw/zinc/92/84/41/403928441.db2.gz PARZPDVQPDOEOK-GHMZBOCLSA-N 0 3 301.350 2.433 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000281498594 292295498 /nfs/dbraw/zinc/29/54/98/292295498.db2.gz XXTKYFCSDHUHDM-JMSVASOKSA-N 0 3 319.361 2.395 20 5 DEBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@@H](c3ccncc3)C2)c1 ZINC000295692040 404005762 /nfs/dbraw/zinc/00/57/62/404005762.db2.gz DKLFKJYBMCKYPH-CQSZACIVSA-N 0 3 301.350 2.066 20 5 DEBDHN C[C@@H]1C[C@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CCN1C ZINC000322233955 404082561 /nfs/dbraw/zinc/08/25/61/404082561.db2.gz YSMKLPWWASUTKG-ZYHUDNBSSA-N 0 3 318.377 2.374 20 5 DEBDHN CC1(C)C[C@@H](O)CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000295978769 404036745 /nfs/dbraw/zinc/03/67/45/404036745.db2.gz JCKPBYJTXQBSOG-LSDHHAIUSA-N 0 3 308.378 2.111 20 5 DEBDHN CN(C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(C)C1 ZINC000412131713 404151439 /nfs/dbraw/zinc/15/14/39/404151439.db2.gz JGTQRPYVUCIYTE-OWCLPIDISA-N 0 3 317.389 2.251 20 5 DEBDHN COC[C@]1(C(=O)OC)CCN([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000296313259 404190873 /nfs/dbraw/zinc/19/08/73/404190873.db2.gz OHOSQTGHAOZOEJ-WBMJQRKESA-N 0 3 322.361 2.167 20 5 DEBDHN O=[N+]([O-])c1cccc(-c2ccc(CNC[C@@H]3COCCO3)o2)c1 ZINC000338715821 404495738 /nfs/dbraw/zinc/49/57/38/404495738.db2.gz IKNCEAHMIPEKCA-OAHLLOKOSA-N 0 3 318.329 2.360 20 5 DEBDHN O=C(N[C@H]1CCN(C2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000371596306 404466212 /nfs/dbraw/zinc/46/62/12/404466212.db2.gz GNHJDQWJQATCAS-ZDUSSCGKSA-N 0 3 303.362 2.342 20 5 DEBDHN CN(C)Cc1cnc(CNCCc2ccccc2[N+](=O)[O-])s1 ZINC000352706177 404563738 /nfs/dbraw/zinc/56/37/38/404563738.db2.gz NXFXDHMXYOLEHG-UHFFFAOYSA-N 0 3 320.418 2.445 20 5 DEBDHN C[C@H]1CCN(C)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000351608396 404668654 /nfs/dbraw/zinc/66/86/54/404668654.db2.gz HCIUXNKXWSPMTM-JTQLQIEISA-N 0 3 310.329 2.292 20 5 DEBDHN C[C@@H](CN1CCOCC1)N(C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000435058111 404953804 /nfs/dbraw/zinc/95/38/04/404953804.db2.gz SONKRMLELITDRI-PKYBCLHXSA-N 0 3 319.405 2.261 20 5 DEBDHN COC(=O)COc1ccc(CNCC2(C)CC2)cc1[N+](=O)[O-] ZINC000353762511 404962894 /nfs/dbraw/zinc/96/28/94/404962894.db2.gz WGEJGOKPZGFCAE-UHFFFAOYSA-N 0 3 308.334 2.036 20 5 DEBDHN CCOC(=O)c1ccnc(N[C@@H]2CCN(C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000361083157 404909588 /nfs/dbraw/zinc/90/95/88/404909588.db2.gz XCQFTDXHNBILKP-GHMZBOCLSA-N 0 3 322.365 2.061 20 5 DEBDHN C[C@H]1CCN(C)CCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000354005629 404996759 /nfs/dbraw/zinc/99/67/59/404996759.db2.gz SESKIPJLQGWQAC-NSHDSACASA-N 0 3 316.361 2.242 20 5 DEBDHN CN(C)C1(CN(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2)CCC1 ZINC000354158694 405074071 /nfs/dbraw/zinc/07/40/71/405074071.db2.gz QUSBNICSIVYMOD-UHFFFAOYSA-N 0 3 309.341 2.290 20 5 DEBDHN CN(C)[C@]1(CNc2c3c(ccc2[N+](=O)[O-])NCC3)CCSC1 ZINC000436387313 405076948 /nfs/dbraw/zinc/07/69/48/405076948.db2.gz KELNZFFTFRCLBW-HNNXBMFYSA-N 0 3 322.434 2.412 20 5 DEBDHN CCO[C@@H]1CCC[C@H]1NCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000452018264 405128822 /nfs/dbraw/zinc/12/88/22/405128822.db2.gz QEXQKKNETZGVDQ-UKRRQHHQSA-N 0 3 321.377 2.389 20 5 DEBDHN CCO[C@@H]1CCCC[C@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000452033121 405133379 /nfs/dbraw/zinc/13/33/79/405133379.db2.gz FZKQVJSAXLJNIL-UKRRQHHQSA-N 0 3 321.377 2.471 20 5 DEBDHN CN1C[C@@H]2CCCN(C(=O)CCc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000425060414 405240227 /nfs/dbraw/zinc/24/02/27/405240227.db2.gz VOPNIGLMYNTWNM-GOEBONIOSA-N 0 3 317.389 2.080 20 5 DEBDHN C[C@H]1[C@@H](C)N(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1C ZINC000419338115 405241637 /nfs/dbraw/zinc/24/16/37/405241637.db2.gz BWHSZWUSUXUCJY-JHJVBQTASA-N 0 3 317.389 2.460 20 5 DEBDHN CN(C)C1(CN(C)C(=O)Cc2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000438621831 405252854 /nfs/dbraw/zinc/25/28/54/405252854.db2.gz JUQRLGPAHGJSLV-UHFFFAOYSA-N 0 3 323.368 2.219 20 5 DEBDHN CCC[C@H]1CNCCN1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420244051 405299907 /nfs/dbraw/zinc/29/99/07/405299907.db2.gz YGEPSTZWDRHLPD-ZDUSSCGKSA-N 0 3 317.349 2.223 20 5 DEBDHN CCCCN(C)CCNC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000426900549 405382924 /nfs/dbraw/zinc/38/29/24/405382924.db2.gz ISKCHYNKASIKBX-UHFFFAOYSA-N 0 3 309.366 2.065 20 5 DEBDHN C[C@H](NC(=O)N(C)C[C@@H]1CCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000420824871 405391200 /nfs/dbraw/zinc/39/12/00/405391200.db2.gz RGCREPMFJAUASG-WFASDCNBSA-N 0 3 320.393 2.391 20 5 DEBDHN COCC[C@@]1(NC/C=C\c2ccccc2[N+](=O)[O-])CCOC1 ZINC000447091949 405402458 /nfs/dbraw/zinc/40/24/58/405402458.db2.gz WNWHDSMZNQIZTO-DQOPKJQZSA-N 0 3 306.362 2.393 20 5 DEBDHN NC(=O)c1cccc([N+](=O)[O-])c1NC[C@H]1CCCCN1C1CC1 ZINC000420613975 405362082 /nfs/dbraw/zinc/36/20/82/405362082.db2.gz UZNMSYFEOFYCHB-GFCCVEGCSA-N 0 3 318.377 2.123 20 5 DEBDHN CN(C)CCN(C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C1CC1 ZINC000431368047 405612764 /nfs/dbraw/zinc/61/27/64/405612764.db2.gz FKTRKJGXYUIHFM-UHFFFAOYSA-N 0 3 316.361 2.242 20 5 DEBDHN CSc1ccc(C(=O)N(C)C[C@@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000421699509 405593834 /nfs/dbraw/zinc/59/38/34/405593834.db2.gz BKQVYWMIJMPDKS-LBPRGKRZSA-N 0 3 323.418 2.483 20 5 DEBDHN COCCN1CC[C@H](Nc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450325010 405835760 /nfs/dbraw/zinc/83/57/60/405835760.db2.gz RWPDCLHFLHMVET-LBPRGKRZSA-N 0 3 316.361 2.276 20 5 DEBDHN N[C@H](CC(F)F)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423723533 405929565 /nfs/dbraw/zinc/92/95/65/405929565.db2.gz LQJHXVWCJNRCPO-LLVKDONJSA-N 0 3 313.304 2.068 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H](CN2CCOC2=O)C1 ZINC000496346983 405965790 /nfs/dbraw/zinc/96/57/90/405965790.db2.gz OOJOVHSEITUDEO-ZDUSSCGKSA-N 0 3 319.361 2.177 20 5 DEBDHN COc1ccc([C@H](CO)CNCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000459730043 406022474 /nfs/dbraw/zinc/02/24/74/406022474.db2.gz HLCIIVZBZZNJFL-HNNXBMFYSA-N 0 3 316.357 2.469 20 5 DEBDHN CCOc1cc(NC[C@@H]2CCCN2CCCO)ccc1[N+](=O)[O-] ZINC000450599566 405972936 /nfs/dbraw/zinc/97/29/36/405972936.db2.gz SQLBVPJALBMUCW-AWEZNQCLSA-N 0 3 323.393 2.252 20 5 DEBDHN O=C1CC[C@@H](CN(Cc2ccccc2[N+](=O)[O-])C2CC2)CCN1 ZINC000450598988 405973104 /nfs/dbraw/zinc/97/31/04/405973104.db2.gz KBZVVYPNIUMYDU-CYBMUJFWSA-N 0 3 317.389 2.476 20 5 DEBDHN CC(C)(NCCCN1CCCC1=O)c1ccccc1[N+](=O)[O-] ZINC000567667619 406114761 /nfs/dbraw/zinc/11/47/61/406114761.db2.gz XXLOEDBAWZLZFC-UHFFFAOYSA-N 0 3 305.378 2.432 20 5 DEBDHN CC[C@@H]1CN(CCNC/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000487207511 406215750 /nfs/dbraw/zinc/21/57/50/406215750.db2.gz FVPHZWRCLDJFCX-BIENSFFJSA-N 0 3 319.405 2.308 20 5 DEBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CCN(C2CC2)C[C@@H](C)C1 ZINC000519744751 406245286 /nfs/dbraw/zinc/24/52/86/406245286.db2.gz WKNIDMXEOLCEHR-LLVKDONJSA-N 0 3 307.398 2.040 20 5 DEBDHN CN1CCC[C@H](CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000536516067 406261371 /nfs/dbraw/zinc/26/13/71/406261371.db2.gz STYLCSRGFWNEJM-LLVKDONJSA-N 0 3 316.361 2.148 20 5 DEBDHN C[C@H](C(=O)N(C)C[C@@H]1CCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000569684570 406288652 /nfs/dbraw/zinc/28/86/52/406288652.db2.gz WSSSOXBXZTWFIT-WFASDCNBSA-N 0 3 305.378 2.251 20 5 DEBDHN CSc1cccc(C(=O)NCCN2CC[C@H](C)C2)c1[N+](=O)[O-] ZINC000548276486 406495415 /nfs/dbraw/zinc/49/54/15/406495415.db2.gz QUPIWGGYNISEMG-NSHDSACASA-N 0 3 323.418 2.388 20 5 DEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@H](C)S(C)(=O)=O ZINC000526046894 406538840 /nfs/dbraw/zinc/53/88/40/406538840.db2.gz YZYHXWHWQNIDIG-VNKGSWCUSA-N 0 3 312.391 2.021 20 5 DEBDHN C[C@H](CNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])N(C)C1CC1 ZINC000491478741 406602447 /nfs/dbraw/zinc/60/24/47/406602447.db2.gz MTAMEEXEEZZZAW-LAUIRUGDSA-N 0 3 321.352 2.346 20 5 DEBDHN O=[N+]([O-])c1ccccc1CN1CCC[C@@H](N2CCOCC2)CC1 ZINC000550658280 406606123 /nfs/dbraw/zinc/60/61/23/406606123.db2.gz HJYFNEKHCXWWEY-MRXNPFEDSA-N 0 3 319.405 2.282 20 5 DEBDHN C[C@@H]1CCN(CCNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000491917300 406777968 /nfs/dbraw/zinc/77/79/68/406777968.db2.gz YECBVIPGEQXGDJ-URWSZGRFSA-N 0 3 303.362 2.066 20 5 DEBDHN C[C@H]1CCN(CCNC(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000491925867 406780012 /nfs/dbraw/zinc/78/00/12/406780012.db2.gz OZSMOORVSMIINK-YBJDMEARSA-N 0 3 303.362 2.066 20 5 DEBDHN CCCN(CCN(C)C)C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000555310943 406840377 /nfs/dbraw/zinc/84/03/77/406840377.db2.gz AKOOXANQJGOYFF-ZDUSSCGKSA-N 0 3 307.394 2.499 20 5 DEBDHN C[C@H](NC(=O)N1CCN[C@@H](C)[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000418237195 229281129 /nfs/dbraw/zinc/28/11/29/229281129.db2.gz VUFBXGZUDXLSOC-SRVKXCTJSA-N 0 3 306.366 2.048 20 5 DEBDHN CCN(CCNc1nc2ccccc2cc1[N+](=O)[O-])C1CC1 ZINC000352356254 425045153 /nfs/dbraw/zinc/04/51/53/425045153.db2.gz LKOKBLFWRBKYTC-UHFFFAOYSA-N 0 3 300.362 3.039 20 5 DEBDHN CN1C[C@H](N[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1=O ZINC000279013198 273939560 /nfs/dbraw/zinc/93/95/60/273939560.db2.gz HBZFFQKEPBWVSC-QMTHXVAHSA-N 0 3 303.362 2.138 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1N1CC[C@H](N3CCCC3)C1)CCN2 ZINC000302465354 275038642 /nfs/dbraw/zinc/03/86/42/275038642.db2.gz SHAMFEPOQSYJHR-LBPRGKRZSA-N 0 3 302.378 2.237 20 5 DEBDHN CN1CC[C@@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000272370781 277141602 /nfs/dbraw/zinc/14/16/02/277141602.db2.gz GOPVWHLRLWCAEX-RISCZKNCSA-N 0 3 304.350 2.153 20 5 DEBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000493240760 277182516 /nfs/dbraw/zinc/18/25/16/277182516.db2.gz XBFMEQFZKXRXHM-ABAIWWIYSA-N 0 3 321.352 2.290 20 5 DEBDHN CC(C)c1ccc(CNC[C@H](CO)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000360766396 278037309 /nfs/dbraw/zinc/03/73/09/278037309.db2.gz RWELLTWRDYJSDH-HUUCEWRRSA-N 0 3 322.405 2.453 20 5 DEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](N2CCOCC2)[C@@H]1C ZINC000352020188 278313093 /nfs/dbraw/zinc/31/30/93/278313093.db2.gz XPOVNKIYLGPBIF-IJEWVQPXSA-N 0 3 319.405 2.451 20 5 DEBDHN C[C@@H](NCCN1CCOC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000178764783 278347380 /nfs/dbraw/zinc/34/73/80/278347380.db2.gz ZIXQLJBQJRIWAX-CYBMUJFWSA-N 0 3 307.394 2.356 20 5 DEBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000272588491 278843512 /nfs/dbraw/zinc/84/35/12/278843512.db2.gz PFMYXZAHAXTOKG-VHSXEESVSA-N 0 3 303.318 2.163 20 5 DEBDHN CCN1CCCC[C@H]1CNC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000192556172 279282245 /nfs/dbraw/zinc/28/22/45/279282245.db2.gz YEUSQGRRUKOAFX-LBPRGKRZSA-N 0 3 321.377 2.208 20 5 DEBDHN C[C@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])N(C)C1CC1 ZINC000068218647 279344655 /nfs/dbraw/zinc/34/46/55/279344655.db2.gz LHXSNCXQQGQQFV-SECBINFHSA-N 0 3 311.769 2.461 20 5 DEBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](C)C(=O)NC ZINC000291871271 280156400 /nfs/dbraw/zinc/15/64/00/280156400.db2.gz INVMQMCUHKRPIK-QWRGUYRKSA-N 0 3 311.407 2.190 20 5 DEBDHN Cc1cccc(N2CCN(C[C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000188386643 281228088 /nfs/dbraw/zinc/22/80/88/281228088.db2.gz FYYARUCPGAEALS-CQSZACIVSA-N 0 3 305.378 2.062 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1N1CCN(C[C@@H]2CCOC2)CC1 ZINC000176950887 281259848 /nfs/dbraw/zinc/25/98/48/281259848.db2.gz SLQQLGHCSPEFSI-AWEZNQCLSA-N 0 3 305.378 2.062 20 5 DEBDHN Cc1cnc(N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000488718533 302350511 /nfs/dbraw/zinc/35/05/11/302350511.db2.gz HGKZYWCETGNKFS-HZSPNIEDSA-N 0 3 304.394 2.465 20 5 DEBDHN CSc1cccc(C(=O)NC[C@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000188149191 333038098 /nfs/dbraw/zinc/03/80/98/333038098.db2.gz OJLKLKGTEMHTSZ-LLVKDONJSA-N 0 3 323.418 2.388 20 5 DEBDHN Cc1ccccc1CNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000583046855 337229919 /nfs/dbraw/zinc/22/99/19/337229919.db2.gz LGAWPPYIGNGVQL-HNNXBMFYSA-N 0 3 316.357 2.433 20 5 DEBDHN Cc1cscc1CNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000583748672 337328805 /nfs/dbraw/zinc/32/88/05/337328805.db2.gz RUPMWOLCBWTPGC-ZDUSSCGKSA-N 0 3 322.386 2.494 20 5 DEBDHN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H](C)N(C)C ZINC000447802183 533933312 /nfs/dbraw/zinc/93/33/12/533933312.db2.gz IDUREYZEYFEESS-MRVPVSSYSA-N 0 3 315.757 2.397 20 5 DEBDHN Cc1csc(=O)n1CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296715298 534774342 /nfs/dbraw/zinc/77/43/42/534774342.db2.gz MKMNDHSMUNBBGZ-NSHDSACASA-N 0 3 307.375 2.477 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@@H](OCCO)C1 ZINC000245532577 526089930 /nfs/dbraw/zinc/08/99/30/526089930.db2.gz UTPCDWADBTYUKH-UKRRQHHQSA-N 0 3 308.378 2.438 20 5 DEBDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000360086202 536446214 /nfs/dbraw/zinc/44/62/14/536446214.db2.gz SAWKQPXJNVVWNP-NSHDSACASA-N 0 3 309.341 2.148 20 5 DEBDHN CC(=O)c1cc(N2CC[C@]3(CCN(C)C3)C2)ccc1[N+](=O)[O-] ZINC000292429678 527210193 /nfs/dbraw/zinc/21/01/93/527210193.db2.gz XCGMVRNGBRNJAY-INIZCTEOSA-N 0 3 303.362 2.329 20 5 DEBDHN CC(C)c1ccc([C@@H](N)CNC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1 ZINC000428895407 528133344 /nfs/dbraw/zinc/13/33/44/528133344.db2.gz PAJKAFVEFIWIAF-ZDUSSCGKSA-N 0 3 316.361 2.476 20 5 DEBDHN CCC[C@H](O)[C@@H](CO)NC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000419826141 528294823 /nfs/dbraw/zinc/29/48/23/528294823.db2.gz QOCUIDJQVBHYDA-ALTKIIGISA-N 0 3 308.378 2.110 20 5 DEBDHN CC(C)S(=O)(=O)CCCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296695648 528298305 /nfs/dbraw/zinc/29/83/05/528298305.db2.gz KHBQMZXKTNLNDY-LBPRGKRZSA-N 0 3 314.407 2.459 20 5 DEBDHN CCO[C@@H]1C[C@H](N[C@@H](C)Cc2ccccc2[N+](=O)[O-])[C@@H]1OC ZINC000449245004 535512950 /nfs/dbraw/zinc/51/29/50/535512950.db2.gz XOWAVTZRUPTGOL-YUDUHTQSSA-N 0 3 308.378 2.308 20 5 DEBDHN CCN1CCC[C@H]1CNC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000358915975 535601851 /nfs/dbraw/zinc/60/18/51/535601851.db2.gz RCHFDXADMSMQBG-AWEZNQCLSA-N 0 3 320.393 2.187 20 5 DEBDHN CCOC[C@@H](NCC(=O)Nc1c(C)cccc1[N+](=O)[O-])C(C)C ZINC000348478694 535669508 /nfs/dbraw/zinc/66/95/08/535669508.db2.gz NEQKZPJZOPODMG-CYBMUJFWSA-N 0 3 323.393 2.492 20 5 DEBDHN O=[N+]([O-])c1cccc(-c2noc([C@@H]3CN4CCC[C@@H]4CO3)n2)c1 ZINC000923774590 625472490 /nfs/dbraw/zinc/47/24/90/625472490.db2.gz ZWKGNKLXWZGOMU-OLZOCXBDSA-N 0 3 316.317 2.181 20 5 DEBDHN C[C@@]1(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CN2CCC1CC2 ZINC000892799111 625617805 /nfs/dbraw/zinc/61/78/05/625617805.db2.gz IXCNKZVBSYSXPV-BBOMDTFKSA-N 0 3 315.373 2.209 20 5 DEBDHN CC(COC(=O)c1cccc(OCC(F)(F)F)c1)[N+](=O)[O-] ZINC000813114358 623400861 /nfs/dbraw/zinc/40/08/61/623400861.db2.gz QNBDLGXCJWFZPW-MRVPVSSYSA-N 0 3 307.224 2.450 20 5 DEBDHN C[C@H](NC(=O)N(C)[C@H]1CCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000892113118 624785184 /nfs/dbraw/zinc/78/51/84/624785184.db2.gz WKNVDKROMGIKIX-WFASDCNBSA-N 0 3 320.393 2.391 20 5 DEBDHN COc1nccc(CNCCc2ccccc2[N+](=O)[O-])c1F ZINC000893067171 625088817 /nfs/dbraw/zinc/08/88/17/625088817.db2.gz LNVQUGFTSQUHLS-UHFFFAOYSA-N 0 3 305.309 2.470 20 5 DEBDHN COc1c([O-])ccc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000892609245 625191749 /nfs/dbraw/zinc/19/17/49/625191749.db2.gz YYKYKWJKFDJDBV-QWHCGFSZSA-N 0 3 321.377 2.025 20 5 DEBDHN COc1c([O-])ccc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000892609245 625191755 /nfs/dbraw/zinc/19/17/55/625191755.db2.gz YYKYKWJKFDJDBV-QWHCGFSZSA-N 0 3 321.377 2.025 20 5 DEBDHN C[C@H]1[C@@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CCN1C ZINC000928423205 637022300 /nfs/dbraw/zinc/02/23/00/637022300.db2.gz AETVFAUSQMEIIC-XVKPBYJWSA-N 0 3 315.732 2.210 20 5 DEBDHN Cc1cc(Cl)c(C(=O)N[C@H]2CCN(C)[C@H]2C)cc1[N+](=O)[O-] ZINC000928431060 637165497 /nfs/dbraw/zinc/16/54/97/637165497.db2.gz BDCHDOQTOPKTQO-CABZTGNLSA-N 0 3 311.769 2.379 20 5 DEBDHN COc1c(O)ccc(CN[C@H](C)[C@@H](OC)C2CC2)c1[N+](=O)[O-] ZINC000894755462 637196155 /nfs/dbraw/zinc/19/61/55/637196155.db2.gz RDUPJBRUTVKROA-YMTOWFKASA-N 0 3 310.350 2.212 20 5 DEBDHN O=[N+]([O-])c1cccc(-c2ccc(CN3C[C@H]4C[C@@]4(O)C3)o2)c1 ZINC000895645268 638131643 /nfs/dbraw/zinc/13/16/43/638131643.db2.gz AXLVBUKOLMZUNY-MLGOLLRUSA-N 0 3 300.314 2.421 20 5 DEBDHN CC(C)NC(=O)c1ccc(N[C@@H]2CCN(C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000895739003 638170868 /nfs/dbraw/zinc/17/08/68/638170868.db2.gz VDTOYBAKJRHGRG-DGCLKSJQSA-N 0 3 320.393 2.238 20 5 DEBDHN C[C@H]1[C@H](Nc2c3cc(F)ccc3ncc2[N+](=O)[O-])CCN1C ZINC000895736052 638177771 /nfs/dbraw/zinc/17/77/71/638177771.db2.gz ZYVVLZUJHVMANX-JOYOIKCWSA-N 0 3 304.325 2.209 20 5 DEBDHN COC(=O)N1CCC[C@@H](N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000749841331 638687191 /nfs/dbraw/zinc/68/71/91/638687191.db2.gz WFEKFEGVWHRCPA-DGCLKSJQSA-N 0 3 307.350 2.476 20 5 DEBDHN C[C@H]1CN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1C ZINC000751932240 639137211 /nfs/dbraw/zinc/13/72/11/639137211.db2.gz ZGDPQYAJMZMOFR-RYUDHWBXSA-N 0 3 301.350 2.399 20 5 DEBDHN CC1(C)CCCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000769707341 641278037 /nfs/dbraw/zinc/27/80/37/641278037.db2.gz GVNGNCFKEUTQCT-UHFFFAOYSA-N 0 3 320.393 2.029 20 5 DEBDHN CC(C)c1n[nH]c(C(=O)NC[C@H](C)N2CCCCC2)c1[N+](=O)[O-] ZINC000771295295 641490546 /nfs/dbraw/zinc/49/05/46/641490546.db2.gz XRMZIQQXKCSAIB-NSHDSACASA-N 0 3 323.397 2.046 20 5 DEBDHN C[C@H]1CCCN1CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000773189031 641740220 /nfs/dbraw/zinc/74/02/20/641740220.db2.gz JDCGXXHDWHOWAN-JTQLQIEISA-N 0 3 311.769 2.462 20 5 DEBDHN COC(=O)C[C@H]1CCCCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582555 642188083 /nfs/dbraw/zinc/18/80/83/642188083.db2.gz VFGONLZDQNAQSB-HUUCEWRRSA-N 0 3 322.361 2.046 20 5 DEBDHN Cc1ccccc1[C@H](CO)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000782080079 642823013 /nfs/dbraw/zinc/82/30/13/642823013.db2.gz BQHCAJQNTFJZQZ-IRXDYDNUSA-N 0 3 316.357 2.260 20 5 DEBDHN CC[S@@](=O)CCN[C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903096252 643254569 /nfs/dbraw/zinc/25/45/69/643254569.db2.gz BHKBXHKXHKJVQX-WVDJIFEKSA-N 0 3 300.380 2.023 20 5 DEBDHN CCO[C@@H]1COCC[C@@H]1N[C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903154192 643269635 /nfs/dbraw/zinc/26/96/35/643269635.db2.gz UJYVFBVHTJQFSI-KNXALSJPSA-N 0 3 324.377 2.448 20 5 DEBDHN Cc1c(CNCc2ccc(CC(N)=O)cc2)cccc1[N+](=O)[O-] ZINC000790999093 643918521 /nfs/dbraw/zinc/91/85/21/643918521.db2.gz MTMMCZMJGGKXAB-UHFFFAOYSA-N 0 3 313.357 2.221 20 5 DEBDHN COc1cccc(C(=O)CCCC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000797280345 644864210 /nfs/dbraw/zinc/86/42/10/644864210.db2.gz NHTZWSLQGVZTHQ-NSHDSACASA-N 0 3 309.318 2.257 20 5 DEBDHN CC(COC(=O)c1cccc(-c2noc(C3CC3)n2)c1)[N+](=O)[O-] ZINC000813101442 646727814 /nfs/dbraw/zinc/72/78/14/646727814.db2.gz AGYRTHCAVUHFKD-SECBINFHSA-N 0 3 317.301 2.436 20 5 DEBDHN CC(COC(=O)COCc1nc2ccccc2s1)[N+](=O)[O-] ZINC000813101809 646728879 /nfs/dbraw/zinc/72/88/79/646728879.db2.gz JELXBYQSIIHEEZ-VIFPVBQESA-N 0 3 310.331 2.021 20 5 DEBDHN CC(COC(=O)c1cnn(-c2ccccc2Cl)c1)[N+](=O)[O-] ZINC000813105161 646729565 /nfs/dbraw/zinc/72/95/65/646729565.db2.gz WIMZRYKNQMUYIS-VIFPVBQESA-N 0 3 309.709 2.348 20 5 DEBDHN CC(COC(=O)c1ccn(-c2ccccc2Cl)n1)[N+](=O)[O-] ZINC000813105619 646729819 /nfs/dbraw/zinc/72/98/19/646729819.db2.gz QLPUTJSIACODFD-SECBINFHSA-N 0 3 309.709 2.348 20 5 DEBDHN CC(COC(=O)c1ccn(-c2cccc(Cl)c2)n1)[N+](=O)[O-] ZINC000813111972 646731507 /nfs/dbraw/zinc/73/15/07/646731507.db2.gz MAHAWXZAAXXOQP-SECBINFHSA-N 0 3 309.709 2.348 20 5 DEBDHN Cc1nn(CC(C)C)c(C)c1CCC(=O)OCC(C)[N+](=O)[O-] ZINC000813114333 646732883 /nfs/dbraw/zinc/73/28/83/646732883.db2.gz QANYTGXPQVMBLC-NSHDSACASA-N 0 3 311.382 2.297 20 5 DEBDHN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN[C@@H](CO)C2CC2)c1 ZINC000815090355 646966174 /nfs/dbraw/zinc/96/61/74/646966174.db2.gz JUEJLAWKKBOZPM-LBPRGKRZSA-N 0 3 304.268 2.474 20 5 DEBDHN CC(C)[C@H]1CN(C)CCN1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000153648254 647590702 /nfs/dbraw/zinc/59/07/02/647590702.db2.gz AAMLWZBLVUQJGB-MRXNPFEDSA-N 0 3 317.393 2.174 20 5 DEBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000820273416 647816379 /nfs/dbraw/zinc/81/63/79/647816379.db2.gz UJTUVKFQEXMANP-GXFFZTMASA-N 0 3 321.402 2.093 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000820832318 647928303 /nfs/dbraw/zinc/92/83/03/647928303.db2.gz VWXQPIPFWYYAPW-RISCZKNCSA-N 0 3 317.389 2.424 20 5 DEBDHN O=[N+]([O-])c1ccc(-c2noc([C@@H]3CN4CCC[C@H]4CO3)n2)cc1 ZINC000923757098 648026606 /nfs/dbraw/zinc/02/66/06/648026606.db2.gz CNIOPVMACITMOJ-STQMWFEESA-N 0 3 316.317 2.181 20 5 DEBDHN C[C@H]1[C@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CCN1C ZINC000925335378 648319192 /nfs/dbraw/zinc/31/91/92/648319192.db2.gz MVUQQYXBDYUCKY-WCQYABFASA-N 0 3 320.393 2.222 20 5 DEBDHN CN1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)C[C@@H]21 ZINC000834310426 649779509 /nfs/dbraw/zinc/77/95/09/649779509.db2.gz MFGCDONXGCSCNO-MFKMUULPSA-N 0 3 309.753 2.024 20 5 DEBDHN CNc1ccc(C(=O)O[C@@H](C)CN2CCCC2)cc1[N+](=O)[O-] ZINC000845674060 651269366 /nfs/dbraw/zinc/26/93/66/651269366.db2.gz ZLPJCAICYFWJRT-NSHDSACASA-N 0 3 307.350 2.278 20 5 DEBDHN CCN1C[C@H](CNCc2cc([N+](=O)[O-])ccc2Cl)CC1=O ZINC000846093855 651307080 /nfs/dbraw/zinc/30/70/80/651307080.db2.gz RLKKJJWVHLIRHP-JTQLQIEISA-N 0 3 311.769 2.206 20 5 DEBDHN CC(C)(C)N1CC[C@](F)(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000854494716 651489183 /nfs/dbraw/zinc/48/91/83/651489183.db2.gz FWIQRWGYASCBSP-OAHLLOKOSA-N 0 3 324.356 2.328 20 5 DEBDHN CC(COC(=O)c1c(Cl)nc2cc(Cl)ccn21)[N+](=O)[O-] ZINC000851036023 652049574 /nfs/dbraw/zinc/04/95/74/652049574.db2.gz DSCYJJPAGPVHPI-LURJTMIESA-N 0 3 318.116 2.463 20 5 DEBDHN CC(COC(=O)[C@H](C(=O)OC(C)(C)C)C1CCCC1)[N+](=O)[O-] ZINC000851035786 652049788 /nfs/dbraw/zinc/04/97/88/652049788.db2.gz AZCAIDZJCYSPOO-CMPLNLGQSA-N 0 3 315.366 2.343 20 5 DEBDHN COC[C@H](NCc1cc(F)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000852320547 652384661 /nfs/dbraw/zinc/38/46/61/652384661.db2.gz BIYJOOIQGXFULA-AWEZNQCLSA-N 0 3 312.341 2.265 20 5 DEBDHN CC(COC(=O)c1nc(C(F)(F)F)n2c1CCCC2)[N+](=O)[O-] ZINC000860777139 685960170 /nfs/dbraw/zinc/96/01/70/685960170.db2.gz KZORYESIUMLZPX-ZETCQYMHSA-N 0 3 321.255 2.060 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000930317597 694135140 /nfs/dbraw/zinc/13/51/40/694135140.db2.gz VHGHYAGJVOBXGV-VXGBXAGGSA-N 0 3 306.366 2.426 20 5 DEBDHN O=C(N[C@@H]1CCN(C2CC2)C1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000930677122 694216251 /nfs/dbraw/zinc/21/62/51/694216251.db2.gz XJFHZWBSPLMQCF-UHOFOFEASA-N 0 3 315.373 2.051 20 5 DEBDHN CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CCC1(C)C ZINC000871152884 688736546 /nfs/dbraw/zinc/73/65/46/688736546.db2.gz WPGMEIYZFIMWDU-UHFFFAOYSA-N 0 3 309.341 2.290 20 5 DEBDHN CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)CCC1(C)C ZINC000871157016 688738767 /nfs/dbraw/zinc/73/87/67/688738767.db2.gz SAMQPOXGJRGFJU-UHFFFAOYSA-N 0 3 309.341 2.290 20 5 DEBDHN Cc1cccc(C(=O)N2CC[C@H]3[C@@H]2CCCN3C)c1[N+](=O)[O-] ZINC000874849884 689518868 /nfs/dbraw/zinc/51/88/68/689518868.db2.gz ZPWQDDBGUISRRM-KBPBESRZSA-N 0 3 303.362 2.212 20 5 DEBDHN CN1C[C@H]2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3Cl)[C@H]2C1 ZINC000931297546 694360034 /nfs/dbraw/zinc/36/00/34/694360034.db2.gz KLVYWUGWYLNLCK-SKDRFNHKSA-N 0 3 324.768 2.416 20 5 DEBDHN COc1cc(CN[C@H](CO)CC2CCC2)c([N+](=O)[O-])cc1OC ZINC000883126734 691435265 /nfs/dbraw/zinc/43/52/65/691435265.db2.gz YKBDZFCFBXMSJX-ZDUSSCGKSA-N 0 3 324.377 2.253 20 5 DEBDHN CC[C@H](N[C@H]1C[C@H](S(C)(=O)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000883373806 691492294 /nfs/dbraw/zinc/49/22/94/691492294.db2.gz DBAUYQMRVNSFOW-UBHSHLNASA-N 0 3 312.391 2.211 20 5 DEBDHN CC(C)OC(=O)C[C@H](NCc1cccnc1[N+](=O)[O-])C(C)C ZINC000886270985 692041155 /nfs/dbraw/zinc/04/11/55/692041155.db2.gz UIGJVXRKUIGVQL-ZDUSSCGKSA-N 0 3 309.366 2.446 20 5 DEBDHN Cc1ccc([C@@H](C)NC[C@@H](O)C2(O)CCCC2)cc1[N+](=O)[O-] ZINC001333905722 1150124461 /nfs/dbraw/zinc/12/44/61/1150124461.db2.gz VNVUBVMPAHDGCU-IUODEOHRSA-N 0 3 308.378 2.220 20 5 DEBDHN CC(COC(=O)C1=Cc2ccccc2O[C@H]1C(F)F)[N+](=O)[O-] ZINC001343646117 1150760106 /nfs/dbraw/zinc/76/01/06/1150760106.db2.gz ALHGYSBNCNDFPY-PRHODGIISA-N 0 3 313.256 2.305 20 5 DEBDHN CCN1C[C@@H](NC(=O)c2cccc(OC)c2[N+](=O)[O-])C(C)(C)C1 ZINC001472058578 1151860048 /nfs/dbraw/zinc/86/00/48/1151860048.db2.gz NBPLMIBIZGLSHA-CYBMUJFWSA-N 0 3 321.377 2.064 20 5 DEBDHN COc1cc(C(=O)N[C@H]2CCCN(C(C)C)C2)ccc1[N+](=O)[O-] ZINC001447430850 1184772750 /nfs/dbraw/zinc/77/27/50/1184772750.db2.gz NNZFQCUGTVVCSJ-ZDUSSCGKSA-N 0 3 321.377 2.206 20 5 DEBDHN C[C@@H]1CN(C)[C@@H](C)CN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611713174 719189071 /nfs/dbraw/zinc/18/90/71/719189071.db2.gz ZARQYXSQFVXARZ-WDEREUQCSA-N 0 3 301.350 2.067 20 5 DEBDHN COC[C@@H](CCNCc1cc([N+](=O)[O-])ccc1Cl)OC ZINC000694374997 777810145 /nfs/dbraw/zinc/81/01/45/777810145.db2.gz NPAVKDUDXGMWNB-GFCCVEGCSA-N 0 3 302.758 2.389 20 5 DEBDHN Cc1c(F)cnc(-n2nc(CN)c3ccccc32)c1[N+](=O)[O-] ZINC001167696380 777874132 /nfs/dbraw/zinc/87/41/32/777874132.db2.gz YSLMNCIPFRNWMW-UHFFFAOYSA-N 0 3 301.281 2.235 20 5 DEBDHN CCN(CC)CC(=O)N(C)CCCNc1ccc([N+](=O)[O-])cc1 ZINC001109452438 785884947 /nfs/dbraw/zinc/88/49/47/785884947.db2.gz NOIPGUXNPQQYOB-UHFFFAOYSA-N 0 3 322.409 2.197 20 5 DEBDHN COc1ccc(C[C@@H](C)NCc2ccnc(C)n2)c([N+](=O)[O-])c1 ZINC001170304962 786897552 /nfs/dbraw/zinc/89/75/52/786897552.db2.gz INYYTLIKKVVTLV-LLVKDONJSA-N 0 3 316.361 2.423 20 5 DEBDHN COc1ccc(C[C@H](C)N2CC[C@@H](O)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001170353407 786917110 /nfs/dbraw/zinc/91/71/10/786917110.db2.gz XSSDDJYMHOHGAM-SGMGOOAPSA-N 0 3 308.378 2.380 20 5 DEBDHN Cc1nc(N2CCN(C3CCCC3)[C@H](C)C2)ncc1[N+](=O)[O-] ZINC001120874894 795549042 /nfs/dbraw/zinc/54/90/42/795549042.db2.gz PCCUWUYGUJGIQS-LLVKDONJSA-N 0 3 305.382 2.146 20 5 DEBDHN Cc1ccccc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001122840210 795809447 /nfs/dbraw/zinc/80/94/47/795809447.db2.gz IZHWPADJIWNYIY-UHFFFAOYSA-N 0 3 313.357 2.423 20 5 DEBDHN Cc1occc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001123281088 795884607 /nfs/dbraw/zinc/88/46/07/795884607.db2.gz BFWSHQPTBODCPH-UHFFFAOYSA-N 0 3 303.318 2.016 20 5 DEBDHN Cc1occc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001123282187 795884953 /nfs/dbraw/zinc/88/49/53/795884953.db2.gz SVZWDMLOUYFTOF-UHFFFAOYSA-N 0 3 303.318 2.016 20 5 DEBDHN O=C(NCCCNCc1csc([N+](=O)[O-])c1)C1CCCC1 ZINC001154086930 797459002 /nfs/dbraw/zinc/45/90/02/797459002.db2.gz NDGAOYBMPGGBKL-UHFFFAOYSA-N 0 3 311.407 2.442 20 5 DEBDHN COc1cc(N[C@H]2CNCc3ccsc32)cnc1[N+](=O)[O-] ZINC001163227908 799283319 /nfs/dbraw/zinc/28/33/19/799283319.db2.gz FIVOLSOFDXWREC-JTQLQIEISA-N 0 3 306.347 2.316 20 5 DEBDHN CN(c1nc2ccccc2c2ccccc21)S(=O)(=O)CCN ZINC001164300155 799564901 /nfs/dbraw/zinc/56/49/01/799564901.db2.gz JBBQGZCBTUUNGZ-UHFFFAOYSA-N 0 3 315.398 2.113 20 5 DEBDHN CC(C)N1CCN(c2cnc3ccc([N+](=O)[O-])cc3n2)C[C@H]1C ZINC001165198814 799670458 /nfs/dbraw/zinc/67/04/58/799670458.db2.gz ISDTZFALXKXHOT-GFCCVEGCSA-N 0 3 315.377 2.457 20 5 DEBDHN CC(C)N1CCN(c2cc([N+](=O)[O-])c3cc[nH]c3n2)C[C@H]1C ZINC001165200374 799671880 /nfs/dbraw/zinc/67/18/80/799671880.db2.gz VOJZZQAQKZWAKC-LLVKDONJSA-N 0 3 303.366 2.390 20 5 DEBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CC[C@@H](C)C1 ZINC000933928550 800217356 /nfs/dbraw/zinc/21/73/56/800217356.db2.gz BDKKCEGFYFMZTA-LLVKDONJSA-N 0 3 323.418 2.388 20 5 DEBDHN O=[N+]([O-])c1cc2cn[nH]c2cc1OC1CCN(CCF)CC1 ZINC001230596838 801432817 /nfs/dbraw/zinc/43/28/17/801432817.db2.gz VFQAWPCXDMGZPX-UHFFFAOYSA-N 0 3 308.313 2.284 20 5 DEBDHN Cc1cc2nc(O[C@H]3C[NH2+]CCC[C@H]3F)[n-]c2cc1[N+](=O)[O-] ZINC001217980895 802127588 /nfs/dbraw/zinc/12/75/88/802127588.db2.gz NEMYHTGTWZZWRD-RNCFNFMXSA-N 0 3 308.313 2.248 20 5 DEBDHN Cc1cc2[n-]c(O[C@H]3C[NH2+]CCC[C@H]3F)nc2cc1[N+](=O)[O-] ZINC001217980895 802127590 /nfs/dbraw/zinc/12/75/90/802127590.db2.gz NEMYHTGTWZZWRD-RNCFNFMXSA-N 0 3 308.313 2.248 20 5 DEBDHN Cc1cc2nc(O[C@H]3C[NH2+]CCC34CC4)[n-]c2cc1[N+](=O)[O-] ZINC001218402618 802178187 /nfs/dbraw/zinc/17/81/87/802178187.db2.gz FDBIZEAAKSUPDK-ZDUSSCGKSA-N 0 3 302.334 2.300 20 5 DEBDHN Cc1cc2[n-]c(O[C@H]3C[NH2+]CCC34CC4)nc2cc1[N+](=O)[O-] ZINC001218402618 802178191 /nfs/dbraw/zinc/17/81/91/802178191.db2.gz FDBIZEAAKSUPDK-ZDUSSCGKSA-N 0 3 302.334 2.300 20 5 DEBDHN CCOC(=O)Cc1ccc([N+](=O)[O-])c(OC2CCN(C)CC2)c1 ZINC001234409390 802370331 /nfs/dbraw/zinc/37/03/31/802370331.db2.gz ZBCIKDKKGBHTEE-UHFFFAOYSA-N 0 3 322.361 2.173 20 5 DEBDHN C[NH+](C)C1CCC(Oc2ncc([N+](=O)[O-])c3nc[n-]c32)CC1 ZINC001227691004 803267965 /nfs/dbraw/zinc/26/79/65/803267965.db2.gz LSLMPLIVAQVBGM-UHFFFAOYSA-N 0 3 305.338 2.118 20 5 DEBDHN O=[N+]([O-])c1cccc(OCCN2CC[C@@H](c3cnccn3)C2)c1 ZINC001460858079 1058528985 /nfs/dbraw/zinc/52/89/85/1058528985.db2.gz NFSOGDZOCGXHND-CYBMUJFWSA-N 0 3 314.345 2.253 20 5 DEBDHN O=C(NC/C=C\CNCc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC001568805825 1065127637 /nfs/dbraw/zinc/12/76/37/1065127637.db2.gz YPCLRZQJYZEBEJ-UPHRSURJSA-N 0 3 303.362 2.157 20 5 DEBDHN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CCN1C1CCCC1 ZINC001634502535 1078429878 /nfs/dbraw/zinc/42/98/78/1078429878.db2.gz ANZCVJACCINMIG-NSHDSACASA-N 0 3 306.366 2.012 20 5 DEBDHN C[C@H]1Cc2n[nH]cc2CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001644507269 1078848910 /nfs/dbraw/zinc/84/89/10/1078848910.db2.gz FZSKGQISHUSADM-MEDUHNTESA-N 0 3 316.361 2.046 20 5 DEBDHN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC1(c2ccccc2)CNC1 ZINC001580494234 1075937735 /nfs/dbraw/zinc/93/77/35/1075937735.db2.gz QSWUJXDAERJBDF-FLIBITNWSA-N 0 3 323.352 2.223 20 5 DEBDHN CC(C)C1([NH2+]Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001589493202 1076492281 /nfs/dbraw/zinc/49/22/81/1076492281.db2.gz ATTIFLKVPPXWFG-UHFFFAOYSA-N 0 3 302.338 2.053 20 5 DEBDHN CC(C)[C@@H]1CC[N@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001589508515 1076495056 /nfs/dbraw/zinc/49/50/56/1076495056.db2.gz BEEQBFRLCDCVHG-LLVKDONJSA-N 0 3 316.365 2.253 20 5 DEBDHN CC(C)[C@@H]1CC[N@@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001589508515 1076495057 /nfs/dbraw/zinc/49/50/57/1076495057.db2.gz BEEQBFRLCDCVHG-LLVKDONJSA-N 0 3 316.365 2.253 20 5 DEBDHN CC(C)[C@@H]1CC[N@H+](Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001589508515 1076495058 /nfs/dbraw/zinc/49/50/58/1076495058.db2.gz BEEQBFRLCDCVHG-LLVKDONJSA-N 0 3 316.365 2.253 20 5 DEBDHN CC(C)[C@@H]1CC[N@@H+](Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001589508515 1076495059 /nfs/dbraw/zinc/49/50/59/1076495059.db2.gz BEEQBFRLCDCVHG-LLVKDONJSA-N 0 3 316.365 2.253 20 5 DEBDHN C[C@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@H]1C ZINC001590261355 1076603854 /nfs/dbraw/zinc/60/38/54/1076603854.db2.gz NAAYFRNRXCIJRJ-QWRGUYRKSA-N 0 3 316.365 2.395 20 5 DEBDHN C[C@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@H]1C ZINC001590261355 1076603855 /nfs/dbraw/zinc/60/38/55/1076603855.db2.gz NAAYFRNRXCIJRJ-QWRGUYRKSA-N 0 3 316.365 2.395 20 5 DEBDHN C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609165517 1077781857 /nfs/dbraw/zinc/78/18/57/1077781857.db2.gz OYQPIQPNBAXSAN-MFKMUULPSA-N 0 3 316.365 2.443 20 5 DEBDHN C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609165517 1077781861 /nfs/dbraw/zinc/78/18/61/1077781861.db2.gz OYQPIQPNBAXSAN-MFKMUULPSA-N 0 3 316.365 2.443 20 5 DEBDHN CCC(=O)N1CCC(NCc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC001655978673 1080030093 /nfs/dbraw/zinc/03/00/93/1080030093.db2.gz FDYMSKRBQRJDSH-UHFFFAOYSA-N 0 3 321.377 2.094 20 5 DEBDHN CC(C)(C)/C=C\C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001124882693 1080509704 /nfs/dbraw/zinc/50/97/04/1080509704.db2.gz FTWTZWXXOZUESO-HJWRWDBZSA-N 0 3 305.378 2.403 20 5 DEBDHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1ccccc1 ZINC001493465121 1082245415 /nfs/dbraw/zinc/24/54/15/1082245415.db2.gz QPEFPSOQWAQZMC-UHFFFAOYSA-N 0 3 313.357 2.457 20 5 DEBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)C1C=CC=CC=C1 ZINC001128384842 1085748580 /nfs/dbraw/zinc/74/85/80/1085748580.db2.gz QKVCLVBJSDDTAQ-UHFFFAOYSA-N 0 3 313.357 2.099 20 5 DEBDHN NCc1ccnn1-c1c(Br)cc(F)cc1[N+](=O)[O-] ZINC001162592753 1086542511 /nfs/dbraw/zinc/54/25/11/1086542511.db2.gz PZAYRDMRCQYOEY-UHFFFAOYSA-N 0 3 315.102 2.141 20 5 DEBDHN CN1CCC[C@@H]1CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000823774729 1090697610 /nfs/dbraw/zinc/69/76/10/1090697610.db2.gz VJDDRGYUQQRSBZ-SECBINFHSA-N 0 3 315.732 2.211 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCC[C@H]1C(=O)OC ZINC001320709618 1140896907 /nfs/dbraw/zinc/89/69/07/1140896907.db2.gz WPLDBZYBBHUOIM-ZIAGYGMSSA-N 0 3 322.361 2.425 20 5 DEBDHN CN1CCCC[C@H]1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001337478609 1142759211 /nfs/dbraw/zinc/75/92/11/1142759211.db2.gz FBQLFNFZQOLJPG-LBPRGKRZSA-N 0 3 316.361 2.290 20 5 DEBDHN CN1CCCC[C@H]1CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001337533046 1142765205 /nfs/dbraw/zinc/76/52/05/1142765205.db2.gz AKSRFMPCDZOFDS-NSHDSACASA-N 0 3 316.361 2.290 20 5 DEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCC(=O)NC1CCCC1 ZINC001254535126 1143240519 /nfs/dbraw/zinc/24/05/19/1143240519.db2.gz HJZNTPYDMNXJLU-GFCCVEGCSA-N 0 3 305.378 2.174 20 5 DEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCC(=O)N1CCCCC1 ZINC001254534680 1143241230 /nfs/dbraw/zinc/24/12/30/1143241230.db2.gz AZGTYYUOBPMSOD-ZDUSSCGKSA-N 0 3 305.378 2.128 20 5 DEBDHN CC[C@@H](C)C[C@@H](N)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001340065291 1143250761 /nfs/dbraw/zinc/25/07/61/1143250761.db2.gz PCPCTDDHDFDWGI-IAQYHMDHSA-N 0 3 305.378 2.243 20 5 DEBDHN CC[C@@H](C)C[C@H](N)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001340065290 1143251898 /nfs/dbraw/zinc/25/18/98/1143251898.db2.gz PCPCTDDHDFDWGI-ABAIWWIYSA-N 0 3 305.378 2.243 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](NCc1cnc(Cl)cn1)C2 ZINC001254588305 1143269826 /nfs/dbraw/zinc/26/98/26/1143269826.db2.gz DAYPZECEJIMDKO-NSHDSACASA-N 0 3 304.737 2.295 20 5 DEBDHN CSCC[C@@H](N)C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001340754779 1143428867 /nfs/dbraw/zinc/42/88/67/1143428867.db2.gz WMUOJJCWSIOLJQ-GFCCVEGCSA-N 0 3 311.407 2.027 20 5 DEBDHN CCc1ccc(C(=O)N2[C@H](C)CN[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC001341027419 1143526331 /nfs/dbraw/zinc/52/63/31/1143526331.db2.gz IHXNWNZZZFTETF-IJLUTSLNSA-N 0 3 305.378 2.368 20 5 DEBDHN C[C@H]1CN[C@@H](C)[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001342630964 1143827443 /nfs/dbraw/zinc/82/74/43/1143827443.db2.gz WSJLBADFPDZHOY-GUBZILKMSA-N 0 3 311.769 2.459 20 5 DEBDHN Cc1c(CN2CCC[C@H](c3nnc(N)o3)C2)cccc1[N+](=O)[O-] ZINC001307969955 1147441503 /nfs/dbraw/zinc/44/15/03/1147441503.db2.gz QTBPGOQAFJISCB-LBPRGKRZSA-N 0 3 317.349 2.248 20 5 DEBDHN Cc1c([C@H](C)N[C@@H]2CC(=O)N(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000090181162 185285258 /nfs/dbraw/zinc/28/52/58/185285258.db2.gz LVZPBCWRPKXVCQ-NWDGAFQWSA-N 0 3 303.362 2.317 20 5 DEBDHN CCCO[C@@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090529995 185300589 /nfs/dbraw/zinc/30/05/89/185300589.db2.gz SZFMCXIBMIMHED-OAHLLOKOSA-N 0 3 323.393 2.038 20 5 DEBDHN CCN1CCN(C[C@H](C)CNc2ccsc2[N+](=O)[O-])CC1 ZINC000615491024 362620420 /nfs/dbraw/zinc/62/04/20/362620420.db2.gz ILUCSEUJFQEDRF-GFCCVEGCSA-N 0 3 312.439 2.342 20 5 DEBDHN COc1ccc(OCCN2CCC[C@](C)(O)CC2)c([N+](=O)[O-])c1 ZINC000280035124 215328473 /nfs/dbraw/zinc/32/84/73/215328473.db2.gz LGCALWUVQSZVFY-INIZCTEOSA-N 0 3 324.377 2.219 20 5 DEBDHN O=[N+]([O-])c1ccc(CNC[C@@]2(O)CCSC2)c(Cl)c1 ZINC000183849552 186224430 /nfs/dbraw/zinc/22/44/30/186224430.db2.gz RDFSTWSUQDBDRN-LBPRGKRZSA-N 0 3 302.783 2.206 20 5 DEBDHN O=C([C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1)N1CCCC1 ZINC000287214730 219384968 /nfs/dbraw/zinc/38/49/68/219384968.db2.gz FBYXQZRRXACWIE-CQSZACIVSA-N 0 3 303.362 2.039 20 5 DEBDHN Cc1cc(C(=O)N2CC[C@@H]3CC[C@H](C2)N3C)cc([N+](=O)[O-])c1 ZINC000174676258 198369619 /nfs/dbraw/zinc/36/96/19/198369619.db2.gz DVFGUEJVKTVVQL-UONOGXRCSA-N 0 3 303.362 2.212 20 5 DEBDHN COC1([C@H](C)NCc2ccc(F)cc2[N+](=O)[O-])CCOCC1 ZINC000595544506 358478953 /nfs/dbraw/zinc/47/89/53/358478953.db2.gz AFEASYQUCOFXJE-NSHDSACASA-N 0 3 312.341 2.408 20 5 DEBDHN CNC(=O)c1ccc(NCCN2CCCCCC2)c([N+](=O)[O-])c1 ZINC000064905898 354676103 /nfs/dbraw/zinc/67/61/03/354676103.db2.gz KJEUNPRMHVAXIH-UHFFFAOYSA-N 0 3 320.393 2.242 20 5 DEBDHN C[C@@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)N1CCC(C)CC1 ZINC000067273465 354755256 /nfs/dbraw/zinc/75/52/56/354755256.db2.gz SZBWEPSGNXOESC-LBPRGKRZSA-N 0 3 320.393 2.027 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(C(=O)NCCN2CCC[C@H](C)C2)c1 ZINC000067548669 354767793 /nfs/dbraw/zinc/76/77/93/354767793.db2.gz IBBGJXKVUMCSCA-LBPRGKRZSA-N 0 3 321.377 2.065 20 5 DEBDHN C[C@H](O)CCN(C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000072714453 354915174 /nfs/dbraw/zinc/91/51/74/354915174.db2.gz GVGBZNMCUXYTSF-LBPRGKRZSA-N 0 3 319.361 2.495 20 5 DEBDHN CC(C)[C@@H](CNc1ccc([N+](=O)[O-])cc1)N1CCN(C)CC1 ZINC000074055328 355002903 /nfs/dbraw/zinc/00/29/03/355002903.db2.gz PNVRNMZORUCGHA-MRXNPFEDSA-N 0 3 306.410 2.279 20 5 DEBDHN CCC[C@@H](N)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000236915732 202068034 /nfs/dbraw/zinc/06/80/34/202068034.db2.gz LPXUQJBMAGFWIC-OAHLLOKOSA-N 0 3 321.377 2.092 20 5 DEBDHN CC[C@@H](NC(=O)C[C@H]1CSCCN1)c1cccc([N+](=O)[O-])c1 ZINC000236914536 202069425 /nfs/dbraw/zinc/06/94/25/202069425.db2.gz YTELRDDUAJXYBR-GXTWGEPZSA-N 0 3 323.418 2.257 20 5 DEBDHN Nc1ccc(-c2noc(C34CCCN3CCC4)n2)cc1[N+](=O)[O-] ZINC000351191257 356628858 /nfs/dbraw/zinc/62/88/58/356628858.db2.gz OUQQLILZZCETGN-UHFFFAOYSA-N 0 3 315.333 2.312 20 5 DEBDHN C[C@@H]1COCC[C@H]1CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000586782444 357369129 /nfs/dbraw/zinc/36/91/29/357369129.db2.gz NYSRUJDHAZTEPJ-NEPJUHHUSA-N 0 3 322.361 2.128 20 5 DEBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H](N2CCCC2)[C@H]1C ZINC000588839477 357428473 /nfs/dbraw/zinc/42/84/73/357428473.db2.gz YNQPSQDOVKJCGB-DGCLKSJQSA-N 0 3 307.398 2.183 20 5 DEBDHN C[C@H](NCc1ccc(CC(N)=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000589344835 357465358 /nfs/dbraw/zinc/46/53/58/357465358.db2.gz NRTOAYKKPZXMQF-LBPRGKRZSA-N 0 3 313.357 2.473 20 5 DEBDHN CCOC(=O)Cc1ccc(N[C@@H](C)CN(C)C)c([N+](=O)[O-])c1 ZINC000591944255 357803284 /nfs/dbraw/zinc/80/32/84/357803284.db2.gz ROFOZFSBAVYPTK-NSHDSACASA-N 0 3 309.366 2.062 20 5 DEBDHN C[C@@H](CO)C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000593080922 358003901 /nfs/dbraw/zinc/00/39/01/358003901.db2.gz CANAQLWMNFKSGV-ZDUSSCGKSA-N 0 3 308.378 2.314 20 5 DEBDHN C[C@H](CN1CCCCC1)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593404355 358070807 /nfs/dbraw/zinc/07/08/07/358070807.db2.gz TVSYWGGOGPGJRN-GFCCVEGCSA-N 0 3 323.368 2.267 20 5 DEBDHN Cc1ccc(C(=O)N(C)CCN2CCCCC2)cc1[N+](=O)[O-] ZINC000593882851 358163848 /nfs/dbraw/zinc/16/38/48/358163848.db2.gz KCIYLFKUVGKSKB-UHFFFAOYSA-N 0 3 305.378 2.461 20 5 DEBDHN COc1c(C(=O)N(C)CCN2CCCCC2)cccc1[N+](=O)[O-] ZINC000593882292 358164305 /nfs/dbraw/zinc/16/43/05/358164305.db2.gz GLWAFWZFGXLWFV-UHFFFAOYSA-N 0 3 321.377 2.161 20 5 DEBDHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)c1cc(F)cc([N+](=O)[O-])c1 ZINC000594196803 358221431 /nfs/dbraw/zinc/22/14/31/358221431.db2.gz NGLKSHRKZBGKMT-CABCVRRESA-N 0 3 321.352 2.481 20 5 DEBDHN C[C@@H](CN1CCCC1=O)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594503265 358285209 /nfs/dbraw/zinc/28/52/09/358285209.db2.gz IRZDUBXDYDEFDM-FZMZJTMJSA-N 0 3 303.362 2.183 20 5 DEBDHN COC(=O)COc1ccc(CNCC2=CCCC2)cc1[N+](=O)[O-] ZINC000594991035 358373868 /nfs/dbraw/zinc/37/38/68/358373868.db2.gz YBDLFOZZBSVRIF-UHFFFAOYSA-N 0 3 320.345 2.347 20 5 DEBDHN O=[N+]([O-])c1ccc(CNC2CCN([C@@H]3CCOC3)CC2)c(F)c1 ZINC000594992588 358375072 /nfs/dbraw/zinc/37/50/72/358375072.db2.gz GZCQHVAFOOHYMP-OAHLLOKOSA-N 0 3 323.368 2.077 20 5 DEBDHN CNC(=O)C(C)(C)CN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595024585 358380187 /nfs/dbraw/zinc/38/01/87/358380187.db2.gz BDTZZSURJUQRBA-SNVBAGLBSA-N 0 3 309.366 2.026 20 5 DEBDHN C[C@@H](CO)[C@H]1CCCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000595671528 358517976 /nfs/dbraw/zinc/51/79/76/358517976.db2.gz SROWSURYAZTBOX-XJKSGUPXSA-N 0 3 308.378 2.457 20 5 DEBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@H]([C@H]3CCCCO3)C2)n1 ZINC000595786438 358549306 /nfs/dbraw/zinc/54/93/06/358549306.db2.gz AGMGIJKCUNDCKO-UONOGXRCSA-N 0 3 308.382 2.072 20 5 DEBDHN NC(=O)c1cc(NC[C@@H]2CCCCN2C2CC2)ccc1[N+](=O)[O-] ZINC000596211811 358641215 /nfs/dbraw/zinc/64/12/15/358641215.db2.gz WQNDCZKLRVOIEL-ZDUSSCGKSA-N 0 3 318.377 2.123 20 5 DEBDHN CN1CC[C@@]2(C1)CCCN(C(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000597716131 358985937 /nfs/dbraw/zinc/98/59/37/358985937.db2.gz OAZWNYVFZFKFHV-MRXNPFEDSA-N 0 3 303.362 2.153 20 5 DEBDHN CN1CC[C@@]2(C1)CCCN(C(=O)c1ccc([N+](=O)[O-])cc1F)C2 ZINC000597715593 358985971 /nfs/dbraw/zinc/98/59/71/358985971.db2.gz NKQWGXUZPWVPEB-MRXNPFEDSA-N 0 3 321.352 2.292 20 5 DEBDHN CCCN1CC[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000598341595 359169115 /nfs/dbraw/zinc/16/91/15/359169115.db2.gz DJAYNQIPWMZZBF-AWEZNQCLSA-N 0 3 305.378 2.046 20 5 DEBDHN CCCN1CC[C@@H](NC(=O)c2ccc(CC)c([N+](=O)[O-])c2)C1 ZINC000598341964 359169217 /nfs/dbraw/zinc/16/92/17/359169217.db2.gz JPAZUMBRVLJDQO-CQSZACIVSA-N 0 3 305.378 2.371 20 5 DEBDHN CCCN1CC[C@@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000598343858 359169849 /nfs/dbraw/zinc/16/98/49/359169849.db2.gz WWSRQEKEOBCLKI-CYBMUJFWSA-N 0 3 319.405 2.473 20 5 DEBDHN COc1cc(C(=O)N(C)CC2(N(C)C)CCC2)ccc1[N+](=O)[O-] ZINC000188063068 200187933 /nfs/dbraw/zinc/18/79/33/200187933.db2.gz GZCVTWCVWCADOL-UHFFFAOYSA-N 0 3 321.377 2.160 20 5 DEBDHN CC[C@@H]1CN(C)CCCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000601191064 359958766 /nfs/dbraw/zinc/95/87/66/359958766.db2.gz GNNRFWINWYRZEF-SNVBAGLBSA-N 0 3 309.395 2.225 20 5 DEBDHN CC1(C)CC[C@H]1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000516875501 283527455 /nfs/dbraw/zinc/52/74/55/283527455.db2.gz AKIWCLNTKLTTMJ-CQSZACIVSA-N 0 3 303.362 2.262 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCN(C2CCCCC2)CC1 ZINC000602788063 360553608 /nfs/dbraw/zinc/55/36/08/360553608.db2.gz QSPCIKJTUILKBB-UHFFFAOYSA-N 0 3 321.425 2.050 20 5 DEBDHN CCc1cnccc1[C@H](C)NCCn1c(C)ncc1[N+](=O)[O-] ZINC000602804086 360563028 /nfs/dbraw/zinc/56/30/28/360563028.db2.gz HLTCDUNJCXHVIO-NSHDSACASA-N 0 3 303.366 2.408 20 5 DEBDHN C[C@@H]1OCC[C@@H]1CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000602762046 360539990 /nfs/dbraw/zinc/53/99/90/360539990.db2.gz FOXQGXTWBPMZQC-UONOGXRCSA-N 0 3 305.378 2.142 20 5 DEBDHN COc1cc([N+](=O)[O-])cn(C[C@H]2CCCCN2C(C)C)c1=O ZINC000603360245 360806363 /nfs/dbraw/zinc/80/63/63/360806363.db2.gz YFTIXPILIRUGCZ-GFCCVEGCSA-N 0 3 309.366 2.028 20 5 DEBDHN CN1CC=C(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000271919787 209324956 /nfs/dbraw/zinc/32/49/56/209324956.db2.gz SPOQSGWOLZXPFR-UHFFFAOYSA-N 0 3 317.389 2.251 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCc1nccnc1C ZINC000292861397 223279689 /nfs/dbraw/zinc/27/96/89/223279689.db2.gz ASWCHVWDHRESMY-UHFFFAOYSA-N 0 3 316.361 2.424 20 5 DEBDHN CC(C)(CCCO)CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611314570 361578199 /nfs/dbraw/zinc/57/81/99/361578199.db2.gz KHZAVSYJWOVZOJ-UHFFFAOYSA-N 0 3 324.377 2.254 20 5 DEBDHN C[C@@H]1[C@H](C)N(c2ncnc3ccc([N+](=O)[O-])cc32)CCN1C ZINC000611714724 361665629 /nfs/dbraw/zinc/66/56/29/361665629.db2.gz YPLDSGBDYVSQHN-MNOVXSKESA-N 0 3 301.350 2.067 20 5 DEBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CCC[C@H]2CCO)c([N+](=O)[O-])c1 ZINC000194763840 201284063 /nfs/dbraw/zinc/28/40/63/201284063.db2.gz ZGIDCYLTBVDRNB-GXFFZTMASA-N 0 3 309.322 2.144 20 5 DEBDHN CC[C@@H]1CN(C)CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000619578957 363833012 /nfs/dbraw/zinc/83/30/12/363833012.db2.gz WNVHYSNSRYDFNG-CQSZACIVSA-N 0 3 305.378 2.080 20 5 DEBDHN CO[C@H]1CCCC[C@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000275292570 212254053 /nfs/dbraw/zinc/25/40/53/212254053.db2.gz YEANSRCDUXORGU-OCCSQVGLSA-N 0 3 307.350 2.081 20 5 DEBDHN CSC[C@H](O)CN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550833 243109349 /nfs/dbraw/zinc/10/93/49/243109349.db2.gz SEQTTWDNYGIHEU-UKRRQHHQSA-N 0 3 310.419 2.498 20 5 DEBDHN N[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@H]1c1ccccc1 ZINC000262232497 203235200 /nfs/dbraw/zinc/23/52/00/203235200.db2.gz OCLBTDKTKQMOLR-NWDGAFQWSA-N 0 3 317.370 2.223 20 5 DEBDHN CCOCCN(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000093315557 193230886 /nfs/dbraw/zinc/23/08/86/193230886.db2.gz MIJKSPCRJZNRKR-UHFFFAOYSA-N 0 3 309.366 2.200 20 5 DEBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN[C@H](C)[C@@H]1C ZINC000262776155 203402146 /nfs/dbraw/zinc/40/21/46/203402146.db2.gz KRJUBYKHPDOIGS-WOPDTQHZSA-N 0 3 323.418 2.284 20 5 DEBDHN CCO[C@@H]1C[C@@H](NC/C=C/c2ccccc2[N+](=O)[O-])[C@H]1OC ZINC000274983220 212057775 /nfs/dbraw/zinc/05/77/75/212057775.db2.gz XWKWORZHVRJNBT-YWAYHSLBSA-N 0 3 306.362 2.390 20 5 DEBDHN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H](C)N1CCOCC1 ZINC000173394938 296151334 /nfs/dbraw/zinc/15/13/34/296151334.db2.gz GLKGACGIEURZAG-HZSPNIEDSA-N 0 3 307.394 2.355 20 5 DEBDHN CCOc1ccc([C@H](C)NC[C@@]2(C)CCC(=O)N2)cc1[N+](=O)[O-] ZINC000453447107 245146947 /nfs/dbraw/zinc/14/69/47/245146947.db2.gz ZBOYEIQBRJBSTI-MEDUHNTESA-N 0 3 321.377 2.313 20 5 DEBDHN O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@@H](N2CCCCC2)C1 ZINC000266091933 205091878 /nfs/dbraw/zinc/09/18/78/205091878.db2.gz IXGDXRYEILQTMS-MRXNPFEDSA-N 0 3 317.389 2.224 20 5 DEBDHN COc1cc(C(=O)NCCN2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000160234631 197395341 /nfs/dbraw/zinc/39/53/41/197395341.db2.gz GRHOBVRXVBBOSF-UHFFFAOYSA-N 0 3 321.377 2.065 20 5 DEBDHN Cc1cc(N2CCN(C[C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000267440316 206069497 /nfs/dbraw/zinc/06/94/97/206069497.db2.gz YNXHDPQUIRDJQW-CQSZACIVSA-N 0 3 305.378 2.062 20 5 DEBDHN CN(C)C/C=C\C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000492274646 249029424 /nfs/dbraw/zinc/02/94/24/249029424.db2.gz KBPWKLJHQZADRP-JZIMQPMSSA-N 0 3 321.402 2.287 20 5 DEBDHN O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@H]1CN1CCCC1 ZINC000299279292 296297734 /nfs/dbraw/zinc/29/77/34/296297734.db2.gz QIFZJZNPFKLTII-LBPRGKRZSA-N 0 3 309.391 2.357 20 5 DEBDHN CCOc1ccc([C@@H](C)NC[C@@](C)(O)COC)cc1[N+](=O)[O-] ZINC000534328323 284838269 /nfs/dbraw/zinc/83/82/69/284838269.db2.gz YGQVOVWDRIAFLO-IAQYHMDHSA-N 0 3 312.366 2.042 20 5 DEBDHN CCC[C@H](NC[C@@H]1CN(C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000268902621 207072082 /nfs/dbraw/zinc/07/20/82/207072082.db2.gz LJOLXKYCXLDZQM-SJORKVTESA-N 0 3 320.437 2.271 20 5 DEBDHN CCC[C@H](NC[C@@H](O)c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000268925151 207090720 /nfs/dbraw/zinc/09/07/20/207090720.db2.gz VRYKJGDOPJQRMS-JKSUJKDBSA-N 0 3 318.377 2.493 20 5 DEBDHN C[C@H](CNC(=O)/C=C/c1ccccc1[N+](=O)[O-])N(C)C1CC1 ZINC000057718134 184049317 /nfs/dbraw/zinc/04/93/17/184049317.db2.gz OAMVIMIYKCCNFK-OFFHKIPUSA-N 0 3 303.362 2.207 20 5 DEBDHN COC1([C@@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCC1 ZINC000412021803 533015840 /nfs/dbraw/zinc/01/58/40/533015840.db2.gz NNQPKFAASDQWSA-GFCCVEGCSA-N 0 3 321.377 2.389 20 5 DEBDHN CC(C)CCCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000272978055 210358771 /nfs/dbraw/zinc/35/87/71/210358771.db2.gz XEDIVXROJBNEDA-UHFFFAOYSA-N 0 3 314.407 2.394 20 5 DEBDHN O=C(CNC1(C2CC2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000543455177 285288363 /nfs/dbraw/zinc/28/83/63/285288363.db2.gz RNDQHEINCVQPDC-UHFFFAOYSA-N 0 3 301.346 2.016 20 5 DEBDHN Cc1cc(Cl)c(C(=O)NC[C@@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC000294915414 224308038 /nfs/dbraw/zinc/30/80/38/224308038.db2.gz SRZGELTWAQKLKQ-JTQLQIEISA-N 0 3 311.769 2.238 20 5 DEBDHN C[C@H]1CCN(CCNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000562683122 292002520 /nfs/dbraw/zinc/00/25/20/292002520.db2.gz KNJMKAGZWRSBKB-JTQLQIEISA-N 0 3 311.769 2.320 20 5 DEBDHN CC(=O)N1CCC[C@@H](CNCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000355429185 133026131 /nfs/dbraw/zinc/02/61/31/133026131.db2.gz YFJQFTPRGOHWGF-LBPRGKRZSA-N 0 3 309.341 2.082 20 5 DEBDHN CCO[C@H]1C[C@H]1NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000564808045 292111701 /nfs/dbraw/zinc/11/17/01/292111701.db2.gz BCXLYNGZVKZKAJ-CABCVRRESA-N 0 3 316.361 2.262 20 5 DEBDHN C[C@H](NC[C@@H]1CN2CCC[C@H]2CO1)c1cccc([N+](=O)[O-])c1 ZINC000316751263 145363931 /nfs/dbraw/zinc/36/39/31/145363931.db2.gz HXECMHDWEZLRFA-VBNZEHGJSA-N 0 3 305.378 2.109 20 5 DEBDHN C[C@H]1C[C@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CCN1C ZINC000322233948 145378815 /nfs/dbraw/zinc/37/88/15/145378815.db2.gz YSMKLPWWASUTKG-CMPLNLGQSA-N 0 3 318.377 2.374 20 5 DEBDHN C[C@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cnn(C)c1 ZINC000348321677 146254541 /nfs/dbraw/zinc/25/45/41/146254541.db2.gz NHXCNRSPNJEONE-NSHDSACASA-N 0 3 317.349 2.008 20 5 DEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC(C3CCC3)C2)c1 ZINC000348973779 146335251 /nfs/dbraw/zinc/33/52/51/146335251.db2.gz JCXMYZFGESRVEO-OAHLLOKOSA-N 0 3 306.362 2.066 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1CN1CC[C@H]([C@H]2CCOC2)C1 ZINC000374402601 148242029 /nfs/dbraw/zinc/24/20/29/148242029.db2.gz TVBYJRONHJVYJV-STQMWFEESA-N 0 3 306.362 2.462 20 5 DEBDHN Cc1ccc(CN(CCN(C)C)C(=O)c2ccc([N+](=O)[O-])o2)o1 ZINC000072013538 401701193 /nfs/dbraw/zinc/70/11/93/401701193.db2.gz NBRXBMJUNRHSHA-UHFFFAOYSA-N 0 3 321.333 2.293 20 5 DEBDHN Cc1c(C(=O)N(C)C[C@H]2CCCN(C)C2)cccc1[N+](=O)[O-] ZINC000115436512 401827608 /nfs/dbraw/zinc/82/76/08/401827608.db2.gz LEWQRCLYMFBTHV-ZDUSSCGKSA-N 0 3 305.378 2.317 20 5 DEBDHN NC(=O)c1ccc(CN(CC2CC2)CC2CC2)c([N+](=O)[O-])c1 ZINC000115563753 401831985 /nfs/dbraw/zinc/83/19/85/401831985.db2.gz ACJDHYDFQLTFDC-UHFFFAOYSA-N 0 3 303.362 2.316 20 5 DEBDHN CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1cccnc1 ZINC000132551010 401869162 /nfs/dbraw/zinc/86/91/62/401869162.db2.gz DVHKETZEFWHIKW-UHFFFAOYSA-N 0 3 314.345 2.450 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000119459885 401951771 /nfs/dbraw/zinc/95/17/71/401951771.db2.gz MUIWXTVZPGLEKR-CZUORRHYSA-N 0 3 317.389 2.460 20 5 DEBDHN Cc1c(CN2CCC[C@H](Cn3ccnn3)C2)cccc1[N+](=O)[O-] ZINC000119524267 401956241 /nfs/dbraw/zinc/95/62/41/401956241.db2.gz SCEACSOZKXPHIL-AWEZNQCLSA-N 0 3 315.377 2.407 20 5 DEBDHN CN(C(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000136027450 401958411 /nfs/dbraw/zinc/95/84/11/401958411.db2.gz SCRDKXLMUZLWFU-UHFFFAOYSA-N 0 3 311.769 2.414 20 5 DEBDHN Cc1ccc([C@H](C)N[C@H](C)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000121377145 402032348 /nfs/dbraw/zinc/03/23/48/402032348.db2.gz WVSOOGJQPBQCHQ-KGLIPLIRSA-N 0 3 307.394 2.275 20 5 DEBDHN CN(C)C1(CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])CCC1 ZINC000097929858 402133274 /nfs/dbraw/zinc/13/32/74/402133274.db2.gz IKQQDIVLOYCSMM-UHFFFAOYSA-N 0 3 311.769 2.462 20 5 DEBDHN CC(C)CN1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000154176895 402197048 /nfs/dbraw/zinc/19/70/48/402197048.db2.gz KPDOVWBSTVNIDT-GFCCVEGCSA-N 0 3 309.366 2.428 20 5 DEBDHN Cc1c(CC(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000125177843 402217688 /nfs/dbraw/zinc/21/76/88/402217688.db2.gz CSYSEWCORUATEJ-SWLSCSKDSA-N 0 3 319.405 2.244 20 5 DEBDHN C[C@@H]1C[C@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000177038266 402362510 /nfs/dbraw/zinc/36/25/10/402362510.db2.gz USOMGHUSIPPUFM-FBSVMCMJSA-N 0 3 315.373 2.349 20 5 DEBDHN CCOC(=O)N1CC[C@H](NC/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000185772354 402375834 /nfs/dbraw/zinc/37/58/34/402375834.db2.gz VDBSEPDGZHVIIA-DYLGSBMWSA-N 0 3 319.361 2.428 20 5 DEBDHN C[C@H]1C[C@@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000177731376 402431074 /nfs/dbraw/zinc/43/10/74/402431074.db2.gz FJJSEQXQVVGQFB-WCQYABFASA-N 0 3 318.377 2.019 20 5 DEBDHN O=[N+]([O-])c1cccc(OCCN2CCC(C3OCCO3)CC2)c1 ZINC000171237732 402569805 /nfs/dbraw/zinc/56/98/05/402569805.db2.gz JSAKBFFVXNHAJJ-UHFFFAOYSA-N 0 3 322.361 2.059 20 5 DEBDHN C[C@H](NCCN1CCOCC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000178600850 402516071 /nfs/dbraw/zinc/51/60/71/402516071.db2.gz COFLYIZNOKISIF-ZDUSSCGKSA-N 0 3 307.394 2.356 20 5 DEBDHN CN(C)Cc1cccc(NC(=O)c2c(N)cccc2[N+](=O)[O-])c1 ZINC000180645738 402622121 /nfs/dbraw/zinc/62/21/21/402622121.db2.gz MQKXVFFNCCQEDG-UHFFFAOYSA-N 0 3 314.345 2.491 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@H](OCCO)C1 ZINC000182791511 402716279 /nfs/dbraw/zinc/71/62/79/402716279.db2.gz UTPCDWADBTYUKH-HIFRSBDPSA-N 0 3 308.378 2.438 20 5 DEBDHN CN1CCC[C@@H](CNC(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000254967898 402673707 /nfs/dbraw/zinc/67/37/07/402673707.db2.gz CESCYOOMGOAEKW-YXVBKTCISA-N 0 3 303.362 2.066 20 5 DEBDHN Cc1ccc([C@H](C)NCCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000182315679 402680680 /nfs/dbraw/zinc/68/06/80/402680680.db2.gz SOTCIXNJDOATIJ-ZDUSSCGKSA-N 0 3 301.346 2.416 20 5 DEBDHN C[C@H](NCCN1CCOC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000173389439 402695458 /nfs/dbraw/zinc/69/54/58/402695458.db2.gz ONWIAVOOHKKFMU-ZDUSSCGKSA-N 0 3 307.394 2.356 20 5 DEBDHN O=[N+]([O-])c1cccc(F)c1CN1CCN(C2CCOCC2)CC1 ZINC000175498625 402811715 /nfs/dbraw/zinc/81/17/15/402811715.db2.gz IRYURECDFBCSIG-UHFFFAOYSA-N 0 3 323.368 2.031 20 5 DEBDHN CC(C)(CNC(=O)c1cccc([N+](=O)[O-])c1N)N1CCCCC1 ZINC000175749001 402829388 /nfs/dbraw/zinc/82/93/88/402829388.db2.gz XLCGBVZIKURWBH-UHFFFAOYSA-N 0 3 320.393 2.171 20 5 DEBDHN CCOc1ccc([C@H](C)N[C@@H](C)C[S@](C)=O)cc1[N+](=O)[O-] ZINC000184303710 402834326 /nfs/dbraw/zinc/83/43/26/402834326.db2.gz DDJKQFFGXDZGFO-HJTOQOCKSA-N 0 3 314.407 2.411 20 5 DEBDHN C[C@@H](NC(=O)NCCN(C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000264860314 402892255 /nfs/dbraw/zinc/89/22/55/402892255.db2.gz NKGWTJLMRRYRGU-LLVKDONJSA-N 0 3 306.366 2.049 20 5 DEBDHN C[C@H](N[C@@H]1CCC[C@H]1CCO)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000279217392 402917073 /nfs/dbraw/zinc/91/70/73/402917073.db2.gz HRQFAWZLZDWSFZ-SLEUVZQESA-N 0 3 321.377 2.063 20 5 DEBDHN Cc1cccc(C(=O)NC[C@@]2(N(C)C)CCSC2)c1[N+](=O)[O-] ZINC000267099286 403015172 /nfs/dbraw/zinc/01/51/72/403015172.db2.gz KJRVQJFMQQHDSS-HNNXBMFYSA-N 0 3 323.418 2.070 20 5 DEBDHN CN(CCOc1ccccc1Cl)CCn1ccc([N+](=O)[O-])n1 ZINC000267104171 403015540 /nfs/dbraw/zinc/01/55/40/403015540.db2.gz VHUDEPABTXKXAO-UHFFFAOYSA-N 0 3 324.768 2.456 20 5 DEBDHN Cc1ccc(N2CCC(CN3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000267170646 403022066 /nfs/dbraw/zinc/02/20/66/403022066.db2.gz CBIOJQSFYAXCLK-UHFFFAOYSA-N 0 3 319.405 2.452 20 5 DEBDHN CCCCN(CCO)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000266522436 402970479 /nfs/dbraw/zinc/97/04/79/402970479.db2.gz JCBXURQBESPRND-UHFFFAOYSA-N 0 3 312.366 2.077 20 5 DEBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000268095220 403048346 /nfs/dbraw/zinc/04/83/46/403048346.db2.gz CEZQVWYGWCVYPY-IINYFYTJSA-N 0 3 304.350 2.199 20 5 DEBDHN CC(C)N1CCC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000274401880 403051890 /nfs/dbraw/zinc/05/18/90/403051890.db2.gz APAHHACWMKXMRW-AWEZNQCLSA-N 0 3 305.378 2.126 20 5 DEBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000268143619 403054053 /nfs/dbraw/zinc/05/40/53/403054053.db2.gz DSJZPNIPQBSGPG-FJUBQESYSA-N 0 3 315.373 2.207 20 5 DEBDHN CC(C)N1CCC[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000274505542 403062170 /nfs/dbraw/zinc/06/21/70/403062170.db2.gz PYIYTKUBDJLLMX-CQSZACIVSA-N 0 3 305.378 2.126 20 5 DEBDHN Cc1c(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000268238853 403064923 /nfs/dbraw/zinc/06/49/23/403064923.db2.gz OLPWAEQSHQRFQI-HZMBPMFUSA-N 0 3 303.362 2.116 20 5 DEBDHN Cc1ccc(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000268247769 403066724 /nfs/dbraw/zinc/06/67/24/403066724.db2.gz PZFKWNVLYVKWKA-BXUZGUMPSA-N 0 3 303.362 2.116 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCC[C@@H]1C ZINC000281878890 403101035 /nfs/dbraw/zinc/10/10/35/403101035.db2.gz AFLQCDYZPLFRTO-CMPLNLGQSA-N 0 3 307.350 2.320 20 5 DEBDHN CC[C@H](NC[C@@H](O)c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000268881922 403120616 /nfs/dbraw/zinc/12/06/16/403120616.db2.gz KEJWGJHCONVBIP-LSDHHAIUSA-N 0 3 304.350 2.103 20 5 DEBDHN CC(C)(NCCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000270568750 403201359 /nfs/dbraw/zinc/20/13/59/403201359.db2.gz MVTVLJJJTMEAEC-UHFFFAOYSA-N 0 3 301.346 2.281 20 5 DEBDHN CC(=O)c1cc(N2CC[C@H]3CC[C@@H](C2)N3C)ccc1[N+](=O)[O-] ZINC000283902052 403231644 /nfs/dbraw/zinc/23/16/44/403231644.db2.gz WEISRYUZIDBANL-OCCSQVGLSA-N 0 3 303.362 2.470 20 5 DEBDHN CS[C@H]1CN(c2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1N(C)C ZINC000270385480 403186459 /nfs/dbraw/zinc/18/64/59/403186459.db2.gz QTXHJENSASZIOR-RYUDHWBXSA-N 0 3 317.361 2.355 20 5 DEBDHN O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H]1CCCCN1C1CC1 ZINC000277813195 403259914 /nfs/dbraw/zinc/25/99/14/403259914.db2.gz HCRHQWYCLSCINQ-OAHLLOKOSA-N 0 3 317.389 2.270 20 5 DEBDHN COc1ccc(OCCN2C[C@H](C)N(C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000330595945 403285210 /nfs/dbraw/zinc/28/52/10/403285210.db2.gz RGQQMWJOMOHYSW-STQMWFEESA-N 0 3 323.393 2.007 20 5 DEBDHN Cc1c(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000331151253 403339957 /nfs/dbraw/zinc/33/99/57/403339957.db2.gz XDXIVPOZQYNMOH-RYUDHWBXSA-N 0 3 305.378 2.392 20 5 DEBDHN C[C@H]1CCC[C@@H]1NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000331605390 403428538 /nfs/dbraw/zinc/42/85/38/403428538.db2.gz HZXHIOWVZUGWNF-UWVGGRQHSA-N 0 3 321.333 2.040 20 5 DEBDHN C[C@@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)N(C)C1CC1 ZINC000342897125 403388692 /nfs/dbraw/zinc/38/86/92/403388692.db2.gz DNIDIALOBLWXBR-JTQLQIEISA-N 0 3 316.361 2.289 20 5 DEBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CC[C@H]3CCCCO3)C2)nc1 ZINC000331497173 403400207 /nfs/dbraw/zinc/40/02/07/403400207.db2.gz BDKHTTYHUMAQIR-DZGCQCFKSA-N 0 3 320.393 2.435 20 5 DEBDHN Cc1c(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cnn1C ZINC000331593489 403426100 /nfs/dbraw/zinc/42/61/00/403426100.db2.gz KYSQIDBBMWCZTP-KBPBESRZSA-N 0 3 318.381 2.107 20 5 DEBDHN CCN1C[C@H](C)N(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C)C1 ZINC000332248240 403528931 /nfs/dbraw/zinc/52/89/31/403528931.db2.gz TVIBIGXLCUYCDG-RYUDHWBXSA-N 0 3 317.393 2.386 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCCC1(O)CCOCC1)CCC2 ZINC000287318760 403574411 /nfs/dbraw/zinc/57/44/11/403574411.db2.gz FIJIGKQIIOPUFH-INIZCTEOSA-N 0 3 320.389 2.493 20 5 DEBDHN CCN1CCN([C@H](C)CNc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000301559029 403647452 /nfs/dbraw/zinc/64/74/52/403647452.db2.gz XKHDFAGZJYAITJ-CYBMUJFWSA-N 0 3 322.409 2.041 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000294155060 403660588 /nfs/dbraw/zinc/66/05/88/403660588.db2.gz NRGUVOJTRAKZAF-KRWDZBQOSA-N 0 3 317.389 2.461 20 5 DEBDHN Cc1cc(N[C@H]2CCCN(CCCO)C2)c(F)cc1[N+](=O)[O-] ZINC000295045946 403741769 /nfs/dbraw/zinc/74/17/69/403741769.db2.gz XCXCQVIBYIMJGY-LBPRGKRZSA-N 0 3 311.357 2.301 20 5 DEBDHN Cn1cnc([N+](=O)[O-])c1CN[C@H](Cc1ccccc1)C1CC1 ZINC000347787983 403870475 /nfs/dbraw/zinc/87/04/75/403870475.db2.gz IFRXSGLMBWQYFW-CQSZACIVSA-N 0 3 300.362 2.439 20 5 DEBDHN CC(=O)NC1CCC(N(C)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000344072248 403889622 /nfs/dbraw/zinc/88/96/22/403889622.db2.gz SHZBBIUIPJKJRZ-UHFFFAOYSA-N 0 3 305.378 2.474 20 5 DEBDHN Cc1nc([C@@H]2CCN(Cc3cccc([N+](=O)[O-])c3C)C2)n[nH]1 ZINC000412033704 404071615 /nfs/dbraw/zinc/07/16/15/404071615.db2.gz SDYOXMUMVKLMNY-CYBMUJFWSA-N 0 3 301.350 2.319 20 5 DEBDHN Cc1n[nH]c([C@@H]2CCN(Cc3cccc([N+](=O)[O-])c3C)C2)n1 ZINC000412033704 404071622 /nfs/dbraw/zinc/07/16/22/404071622.db2.gz SDYOXMUMVKLMNY-CYBMUJFWSA-N 0 3 301.350 2.319 20 5 DEBDHN COC[C@@]1(C(=O)OC)CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000296313256 404191225 /nfs/dbraw/zinc/19/12/25/404191225.db2.gz OHOSQTGHAOZOEJ-BLLLJJGKSA-N 0 3 322.361 2.167 20 5 DEBDHN COc1ccc(OCCN(C)[C@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000352196074 404205313 /nfs/dbraw/zinc/20/53/13/404205313.db2.gz WIADKVHXURUWEG-LBPRGKRZSA-N 0 3 310.350 2.093 20 5 DEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCCNC(=O)C(C)C ZINC000344841823 404399301 /nfs/dbraw/zinc/39/93/01/404399301.db2.gz DTEBRPWTUJUQCX-LCYFTJDESA-N 0 3 305.378 2.360 20 5 DEBDHN COc1cc(C(=O)N(CCN(C)C)C2CC2)cc([N+](=O)[O-])c1C ZINC000356278710 404420429 /nfs/dbraw/zinc/42/04/29/404420429.db2.gz JTALPZWOQRIEAJ-UHFFFAOYSA-N 0 3 321.377 2.078 20 5 DEBDHN CN1CCC2(CCCN2C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000371413642 404460764 /nfs/dbraw/zinc/46/07/64/404460764.db2.gz WQDPSFKGAPBKPW-UHFFFAOYSA-N 0 3 321.352 2.434 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000373777553 404587436 /nfs/dbraw/zinc/58/74/36/404587436.db2.gz MWJKNCCMHZUJSK-TZMCWYRMSA-N 0 3 306.362 2.462 20 5 DEBDHN CO[C@@H]([C@@H](C)N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000414193750 404543497 /nfs/dbraw/zinc/54/34/97/404543497.db2.gz URQHAOMBBSLUOC-ZETOZRRWSA-N 0 3 321.377 2.325 20 5 DEBDHN O=[N+]([O-])c1ccccc1OCCN1CC[C@@H](n2cccn2)C1 ZINC000291858456 404554356 /nfs/dbraw/zinc/55/43/56/404554356.db2.gz PHTYOISUAXQOJI-CYBMUJFWSA-N 0 3 302.334 2.117 20 5 DEBDHN CC(=O)N1CC[C@H](CN(C)[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000330447980 404662166 /nfs/dbraw/zinc/66/21/66/404662166.db2.gz IJNZOQULXIRFOD-GXTWGEPZSA-N 0 3 305.378 2.456 20 5 DEBDHN C[C@H](NCCn1ccc([N+](=O)[O-])n1)c1ccc2n[nH]cc2c1 ZINC000353328597 404803627 /nfs/dbraw/zinc/80/36/27/404803627.db2.gz MRJVZSGAEZRJRN-JTQLQIEISA-N 0 3 300.322 2.018 20 5 DEBDHN C[C@@H]1CN(C)C[C@H]1c1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000361007975 404876818 /nfs/dbraw/zinc/87/68/18/404876818.db2.gz CMSZMVZUTXXOBA-ZYHUDNBSSA-N 0 3 302.334 2.234 20 5 DEBDHN C[C@@H](O)C[C@H](C)NCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000361027130 404884885 /nfs/dbraw/zinc/88/48/85/404884885.db2.gz KMUXLXBDSFUMGU-DTWKUNHWSA-N 0 3 304.293 2.445 20 5 DEBDHN Cc1cc(NC(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)ccc1[N+](=O)[O-] ZINC000415419506 404860524 /nfs/dbraw/zinc/86/05/24/404860524.db2.gz QLELPERNRUBULQ-JQWIXIFHSA-N 0 3 322.365 2.138 20 5 DEBDHN COc1cc(C[NH2+]C2CCC(OC)CC2)c([N+](=O)[O-])cc1[O-] ZINC000419779250 405265337 /nfs/dbraw/zinc/26/53/37/405265337.db2.gz LRMLDKABXFKNEP-UHFFFAOYSA-N 0 3 310.350 2.356 20 5 DEBDHN CN(C)CC1(NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCC1 ZINC000439397178 405276594 /nfs/dbraw/zinc/27/65/94/405276594.db2.gz MOFOOOPDRAUXSE-UHFFFAOYSA-N 0 3 310.329 2.340 20 5 DEBDHN CC[C@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000439468343 405279954 /nfs/dbraw/zinc/27/99/54/405279954.db2.gz LMSWWKAWUJAKHH-HNNXBMFYSA-N 0 3 321.377 2.424 20 5 DEBDHN CCc1cc(N2CCNCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420125461 405289426 /nfs/dbraw/zinc/28/94/26/405289426.db2.gz PWTVGMMZFCXJKF-UHFFFAOYSA-N 0 3 313.361 2.024 20 5 DEBDHN C[C@@H]1CCN(C)CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000446107746 405372707 /nfs/dbraw/zinc/37/27/07/405372707.db2.gz IIYYZTCWUKXANS-CYBMUJFWSA-N 0 3 305.378 2.080 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C[C@H]1CCCN1C ZINC000421028290 405435113 /nfs/dbraw/zinc/43/51/13/405435113.db2.gz BHDPSBDYSJWJSL-CYBMUJFWSA-N 0 3 306.366 2.461 20 5 DEBDHN CCc1ccc(C(=O)N(C)C[C@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000421705771 405599100 /nfs/dbraw/zinc/59/91/00/405599100.db2.gz SDRTUOXVMZPASH-CQSZACIVSA-N 0 3 305.378 2.323 20 5 DEBDHN CNC(=O)C[C@@H](C)NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000449602244 405636233 /nfs/dbraw/zinc/63/62/33/405636233.db2.gz OEIKACCXIJXSHL-LLVKDONJSA-N 0 3 317.345 2.469 20 5 DEBDHN CC(C)N1CC[C@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000457084281 405688164 /nfs/dbraw/zinc/68/81/64/405688164.db2.gz GJKBTRGHUFAJOY-AWEZNQCLSA-N 0 3 323.368 2.218 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCn2ccnc2C1 ZINC000494413652 405690521 /nfs/dbraw/zinc/69/05/21/405690521.db2.gz TZFIVOVDYKSZCA-CYBMUJFWSA-N 0 3 316.361 2.295 20 5 DEBDHN COc1cccc(C(=O)N(C)[C@@H]2CCN(C(C)C)C2)c1[N+](=O)[O-] ZINC000457097523 405696865 /nfs/dbraw/zinc/69/68/65/405696865.db2.gz SBDFHIUMCYARCK-GFCCVEGCSA-N 0 3 321.377 2.158 20 5 DEBDHN CN(C)CC(C)(C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000457211154 405753993 /nfs/dbraw/zinc/75/39/93/405753993.db2.gz QTNIUEWETUCNDN-UHFFFAOYSA-N 0 3 313.785 2.247 20 5 DEBDHN N[C@@H](CC(F)F)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423723536 405929323 /nfs/dbraw/zinc/92/93/23/405929323.db2.gz LQJHXVWCJNRCPO-NSHDSACASA-N 0 3 313.304 2.068 20 5 DEBDHN O=C(CN[C@@H]1CCC[C@@H]2C[C@@H]21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000459777744 406042117 /nfs/dbraw/zinc/04/21/17/406042117.db2.gz LPHVSEFPYBUEKU-BYCMXARLSA-N 0 3 315.373 2.262 20 5 DEBDHN C[C@H](NCCN1C[C@H]2CC[C@@H](C1)O2)c1ccc([N+](=O)[O-])cc1 ZINC000451105682 406052373 /nfs/dbraw/zinc/05/23/73/406052373.db2.gz UOPUSMZCHIXBRP-VBNZEHGJSA-N 0 3 305.378 2.109 20 5 DEBDHN Cc1nc(N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000488729951 406341467 /nfs/dbraw/zinc/34/14/67/406341467.db2.gz GXECKQAKUQBGMW-SLEUVZQESA-N 0 3 304.394 2.465 20 5 DEBDHN COCCN(CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCO[C@H]1C ZINC000489461633 406409212 /nfs/dbraw/zinc/40/92/12/406409212.db2.gz WMJPIQMTAKVECV-XJKSGUPXSA-N 0 3 308.378 2.263 20 5 DEBDHN C[C@H]1CCN(CCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000525803838 406503577 /nfs/dbraw/zinc/50/35/77/406503577.db2.gz SLUYKLYTLSWUIY-JTQLQIEISA-N 0 3 311.769 2.320 20 5 DEBDHN CN(C)[C@H]1CCCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000491433046 406592278 /nfs/dbraw/zinc/59/22/78/406592278.db2.gz CGVFFJFKDAXZKS-CDNLZTBQSA-N 0 3 303.362 2.161 20 5 DEBDHN C[C@H]1CCN(CCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000491940678 406784709 /nfs/dbraw/zinc/78/47/09/406784709.db2.gz RBSPHOIRKZWNNK-LVDDQXARSA-N 0 3 303.362 2.066 20 5 DEBDHN CC(C)(NC(=O)C[C@@H]1CSCCN1)c1ccc([N+](=O)[O-])cc1 ZINC000133240275 196324717 /nfs/dbraw/zinc/32/47/17/196324717.db2.gz JEOQFQUSOLZBPF-GFCCVEGCSA-N 0 3 323.418 2.041 20 5 DEBDHN C[C@@H]1CSCCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411298471 227381522 /nfs/dbraw/zinc/38/15/22/227381522.db2.gz VGCYISGLNJKOOG-LLVKDONJSA-N 0 3 309.391 2.361 20 5 DEBDHN CO[C@@H]([C@@H](C)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000414178375 228439791 /nfs/dbraw/zinc/43/97/91/228439791.db2.gz JLCKOYPXZAOMGS-ZETOZRRWSA-N 0 3 321.377 2.325 20 5 DEBDHN C[C@H](NC(=O)N1CCN[C@@H](C)[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000418237192 229280029 /nfs/dbraw/zinc/28/00/29/229280029.db2.gz VUFBXGZUDXLSOC-SDDRHHMPSA-N 0 3 306.366 2.048 20 5 DEBDHN CC(C)N1CCCC[C@H]1CSc1ncc([N+](=O)[O-])c(N)n1 ZINC000569746116 424924448 /nfs/dbraw/zinc/92/44/48/424924448.db2.gz YPAUIHYEWXZYSI-JTQLQIEISA-N 0 3 311.411 2.322 20 5 DEBDHN C[C@@H](Nc1ccc(N)c([N+](=O)[O-])n1)[C@@H](c1ccccc1)N(C)C ZINC000596216865 425020979 /nfs/dbraw/zinc/02/09/79/425020979.db2.gz NINGKLUGMNJTAG-ABAIWWIYSA-N 0 3 315.377 2.675 20 5 DEBDHN CCOc1ccc(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000334041790 269010294 /nfs/dbraw/zinc/01/02/94/269010294.db2.gz DAIQUVMRUKGDDC-AAEUAGOBSA-N 0 3 321.377 2.206 20 5 DEBDHN COc1ccc(CN2C[C@@H]3CC[C@H](O)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000398666625 269109401 /nfs/dbraw/zinc/10/94/01/269109401.db2.gz CNEVUCYHUAAWHC-MJBXVCDLSA-N 0 3 306.362 2.196 20 5 DEBDHN CC[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)OCC(C)[N+](=O)[O-] ZINC000496417487 269218053 /nfs/dbraw/zinc/21/80/53/269218053.db2.gz FBAYEHAPVDMQHE-YGRLFVJLSA-N 0 3 318.370 2.136 20 5 DEBDHN CCO[C@@H]1COC[C@H]1N[C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000449728339 273704227 /nfs/dbraw/zinc/70/42/27/273704227.db2.gz UUQNFYNLQPKMRS-JGGQBBKZSA-N 0 3 308.378 2.309 20 5 DEBDHN CN1C[C@H](N[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000417349139 273939598 /nfs/dbraw/zinc/93/95/98/273939598.db2.gz ZQPWNHVLKUDKJI-DOMZBBRYSA-N 0 3 303.362 2.183 20 5 DEBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@H](CCO)c2ccccc2)c1 ZINC000271707036 275039693 /nfs/dbraw/zinc/03/96/93/275039693.db2.gz UNQAUPXBWKPBOS-SJORKVTESA-N 0 3 316.357 2.342 20 5 DEBDHN CC1(C)C[C@H](NC[C@@H](O)[C@@H]2CCOC2)c2cc([N+](=O)[O-])ccc21 ZINC000433282603 275867930 /nfs/dbraw/zinc/86/79/30/275867930.db2.gz MWGQOSRYTSYKBZ-XFBWCDHKSA-N 0 3 320.389 2.304 20 5 DEBDHN CS[C@H]1CN(c2cc(N)ccc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000282132085 278167611 /nfs/dbraw/zinc/16/76/11/278167611.db2.gz CQECIMLAGRQBNK-GJZGRUSLSA-N 0 3 322.434 2.193 20 5 DEBDHN CC(C)(C)c1ccc(C(=O)N2CCCNCC2)cc1[N+](=O)[O-] ZINC000178363474 278559394 /nfs/dbraw/zinc/55/93/94/278559394.db2.gz UMHDMBILFUBZGX-UHFFFAOYSA-N 0 3 305.378 2.328 20 5 DEBDHN CCC1(CC)[C@H](NCc2c([N+](=O)[O-])ncn2C)[C@H](C)[C@@H]1OC ZINC000429288237 278635288 /nfs/dbraw/zinc/63/52/88/278635288.db2.gz WCWIGKBKVOXEDK-UHTWSYAYSA-N 0 3 310.398 2.258 20 5 DEBDHN C[C@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000180714705 279344443 /nfs/dbraw/zinc/34/44/43/279344443.db2.gz YQYRUOQEVMJLJF-GFCCVEGCSA-N 0 3 320.393 2.027 20 5 DEBDHN C[C@H]1NCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@@H]1C ZINC000277484145 280050180 /nfs/dbraw/zinc/05/01/80/280050180.db2.gz MRDMYAZTACMXQC-NXEZZACHSA-N 0 3 303.318 2.163 20 5 DEBDHN C[C@H](C(=O)N(C)CCN1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000347954229 289251830 /nfs/dbraw/zinc/25/18/30/289251830.db2.gz ZZTRKLZUYPYOOB-LBPRGKRZSA-N 0 3 323.368 2.392 20 5 DEBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCCn1cnnc1C1CC1 ZINC000574927168 326202400 /nfs/dbraw/zinc/20/24/00/326202400.db2.gz ZFOYDLJIJPXZAU-AWEZNQCLSA-N 0 3 313.361 2.341 20 5 DEBDHN CCc1nncn1CCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000577027692 326336765 /nfs/dbraw/zinc/33/67/65/326336765.db2.gz ZSBJRMPUJOAAKU-OAHLLOKOSA-N 0 3 315.377 2.416 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H]1CCCN(CCCO)C1 ZINC000577262582 326352987 /nfs/dbraw/zinc/35/29/87/326352987.db2.gz OATBQYQIFIZCGM-CABCVRRESA-N 0 3 321.421 2.401 20 5 DEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCc2ccsc2)c1 ZINC000548945842 500688340 /nfs/dbraw/zinc/68/83/40/500688340.db2.gz HUZAQLLINUZSRL-ZDUSSCGKSA-N 0 3 308.359 2.186 20 5 DEBDHN Cc1nc(N2CCN(C3CCCCC3)CC2)ncc1[N+](=O)[O-] ZINC000297415351 534443266 /nfs/dbraw/zinc/44/32/66/534443266.db2.gz GSXVCCFIBBCUSC-UHFFFAOYSA-N 0 3 305.382 2.148 20 5 DEBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000245500115 524898952 /nfs/dbraw/zinc/89/89/52/524898952.db2.gz ZNONJOLLCHURPR-BXUZGUMPSA-N 0 3 306.366 2.399 20 5 DEBDHN O=C(N[C@@H]1CCN(C2CCCC2)C1)c1ccc([N+](=O)[O-])s1 ZINC000371598734 526919948 /nfs/dbraw/zinc/91/99/48/526919948.db2.gz YAGGBJRBPWIXIR-SNVBAGLBSA-N 0 3 309.391 2.403 20 5 DEBDHN CC(C)(CO)[C@H](NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000292980264 527220331 /nfs/dbraw/zinc/22/03/31/527220331.db2.gz HHOXSKIIKACJGH-CQSZACIVSA-N 0 3 323.349 2.390 20 5 DEBDHN CC[NH+](CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])[n-]1)c1ccco1 ZINC000299378436 528279187 /nfs/dbraw/zinc/27/91/87/528279187.db2.gz UHHUMNIXDRXUJW-GFCCVEGCSA-N 0 3 320.349 2.329 20 5 DEBDHN CCOc1ccc([C@@H](C)N[C@H](C)CC(=O)NC)cc1[N+](=O)[O-] ZINC000453370265 535412941 /nfs/dbraw/zinc/41/29/41/535412941.db2.gz NGAYOACXVNCSAN-GHMZBOCLSA-N 0 3 309.366 2.169 20 5 DEBDHN COc1c([O-])ccc(C[NH2+]CCC2CCOCC2)c1[N+](=O)[O-] ZINC001355255018 1151996246 /nfs/dbraw/zinc/99/62/46/1151996246.db2.gz RPQIYXWTPPLTFY-UHFFFAOYSA-N 0 3 310.350 2.215 20 5 DEBDHN Cn1ncc([N+](=O)[O-])c1NCCCN1CCc2ccccc2C1 ZINC000891749372 624576327 /nfs/dbraw/zinc/57/63/27/624576327.db2.gz XSGRXQRDYZFVJK-UHFFFAOYSA-N 0 3 315.377 2.189 20 5 DEBDHN CC(COC(=O)[C@H]1c2ccccc2C(=O)OC12CCC2)[N+](=O)[O-] ZINC000893048811 625079370 /nfs/dbraw/zinc/07/93/70/625079370.db2.gz ZJAIVEOKNFELJO-GXFFZTMASA-N 0 3 319.313 2.072 20 5 DEBDHN COCCN1CC[C@@H](NCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000740006807 637771636 /nfs/dbraw/zinc/77/16/36/637771636.db2.gz OBYURSZHQUBZRL-CYBMUJFWSA-N 0 3 313.785 2.059 20 5 DEBDHN C[C@@H](N[C@H](C)[C@@H]1CCS(=O)(=O)C1)c1ccccc1[N+](=O)[O-] ZINC000895944613 638279817 /nfs/dbraw/zinc/27/98/17/638279817.db2.gz UEOBEKWPBLTVJI-IJLUTSLNSA-N 0 3 312.391 2.069 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000929118906 640771398 /nfs/dbraw/zinc/77/13/98/640771398.db2.gz WGVPJZUBLOGDLP-BXUZGUMPSA-N 0 3 304.350 2.071 20 5 DEBDHN CNC(=O)[C@H]1CCC[C@H]1NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000765794555 640819687 /nfs/dbraw/zinc/81/96/87/640819687.db2.gz DNIHJGBLAIALHN-NWDGAFQWSA-N 0 3 311.769 2.253 20 5 DEBDHN Cn1cc([C@@]2(CNCc3ccccc3[N+](=O)[O-])CCCO2)cn1 ZINC000898062447 641013632 /nfs/dbraw/zinc/01/36/32/641013632.db2.gz UQZSCHGQTNTOKL-INIZCTEOSA-N 0 3 316.361 2.124 20 5 DEBDHN CCOc1ccc([C@@H](C)NCC[S@@](=O)CC)cc1[N+](=O)[O-] ZINC000768103385 641051026 /nfs/dbraw/zinc/05/10/26/641051026.db2.gz FAGRPPZEUFQQNW-FIKIJFGZSA-N 0 3 314.407 2.413 20 5 DEBDHN O=[N+]([O-])c1ccc([C@@H](O)CN[C@@H](CO)c2ccsc2)cc1 ZINC000770688993 641408845 /nfs/dbraw/zinc/40/88/45/641408845.db2.gz OYWOZFBBWBMRMW-KBPBESRZSA-N 0 3 308.359 2.013 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NCCN2CC[C@H](C)C2)c1C ZINC000900912339 642514618 /nfs/dbraw/zinc/51/46/18/642514618.db2.gz KHTSZXYAIRWKBS-NSHDSACASA-N 0 3 305.378 2.283 20 5 DEBDHN O=[N+]([O-])c1ccc([C@@H](O)CN[C@H](CO)c2ccc(F)cc2)cc1 ZINC000782063561 642819804 /nfs/dbraw/zinc/81/98/04/642819804.db2.gz NDHMARNJLOWGBM-CVEARBPZSA-N 0 3 320.320 2.091 20 5 DEBDHN COc1cc([C@@H](C)NC[C@@H](O)COCC2CC2)cc([N+](=O)[O-])c1 ZINC000903086362 643244305 /nfs/dbraw/zinc/24/43/05/643244305.db2.gz NMPSZOQMPUSPPF-IAQYHMDHSA-N 0 3 324.377 2.042 20 5 DEBDHN COc1cnccc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000795287981 644547871 /nfs/dbraw/zinc/54/78/71/644547871.db2.gz PJPKDRAJONGQFE-UHFFFAOYSA-N 0 3 314.345 2.325 20 5 DEBDHN CCN1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000910285639 645389219 /nfs/dbraw/zinc/38/92/19/645389219.db2.gz UFZGFDCHAFWYML-NSHDSACASA-N 0 3 309.341 2.290 20 5 DEBDHN CC(COC(=O)c1ccc(Br)c(F)c1)[N+](=O)[O-] ZINC000813103644 646728760 /nfs/dbraw/zinc/72/87/60/646728760.db2.gz DDFRKOKWYFRNSX-LURJTMIESA-N 0 3 306.087 2.410 20 5 DEBDHN CC(COC(=O)c1cnn(-c2ccccc2Cl)c1)[N+](=O)[O-] ZINC000813105160 646729376 /nfs/dbraw/zinc/72/93/76/646729376.db2.gz WIMZRYKNQMUYIS-SECBINFHSA-N 0 3 309.709 2.348 20 5 DEBDHN CC(COC(=O)C1(c2ccc(F)cc2)CCOCC1)[N+](=O)[O-] ZINC000813105229 646729631 /nfs/dbraw/zinc/72/96/31/646729631.db2.gz KVJCQHJBMBUUIY-LLVKDONJSA-N 0 3 311.309 2.082 20 5 DEBDHN CC(COC(=O)c1cc(N(C)C)nc2ccccc21)[N+](=O)[O-] ZINC000813105296 646729645 /nfs/dbraw/zinc/72/96/45/646729645.db2.gz LMTYGTCLTGNOTN-SNVBAGLBSA-N 0 3 303.318 2.123 20 5 DEBDHN CC(COC(=O)c1cccc(OC[C@H]2CCCO2)c1)[N+](=O)[O-] ZINC000813111540 646731355 /nfs/dbraw/zinc/73/13/55/646731355.db2.gz UMVIEKQLILAJHA-BXUZGUMPSA-N 0 3 309.318 2.066 20 5 DEBDHN CCc1nc2ccc(Cl)cn2c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813111566 646731550 /nfs/dbraw/zinc/73/15/50/646731550.db2.gz UXCOKHUFNMEENZ-QMMMGPOBSA-N 0 3 311.725 2.372 20 5 DEBDHN CCn1ncc(C(=O)OCC(C)[N+](=O)[O-])c1-c1ccccc1 ZINC000813111244 646731635 /nfs/dbraw/zinc/73/16/35/646731635.db2.gz DPKNFUNKBBHADG-NSHDSACASA-N 0 3 303.318 2.392 20 5 DEBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CC[C@@H](O)CC23CCC3)cc1 ZINC000817292592 647260962 /nfs/dbraw/zinc/26/09/62/647260962.db2.gz VBIOXMATDSXGOJ-HUUCEWRRSA-N 0 3 306.362 2.008 20 5 DEBDHN CC(COC(=O)CCc1cccc(OC(F)F)c1)[N+](=O)[O-] ZINC000821166618 648002489 /nfs/dbraw/zinc/00/24/89/648002489.db2.gz DWGMMNUXKAHUIK-SECBINFHSA-N 0 3 303.261 2.429 20 5 DEBDHN CN(CC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)CC(C)(C)C ZINC000821339604 648038500 /nfs/dbraw/zinc/03/85/00/648038500.db2.gz CCRRAEJHPTVYCD-UHFFFAOYSA-N 0 3 319.405 2.457 20 5 DEBDHN CC[C@H]1CN(CC)CCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000831970784 649664920 /nfs/dbraw/zinc/66/49/20/649664920.db2.gz FNWIJRMDDCVJIW-GOEBONIOSA-N 0 3 307.394 2.044 20 5 DEBDHN CC([C@@H](OC(=O)COC(F)F)c1ccccc1F)[N+](=O)[O-] ZINC000845877736 651291607 /nfs/dbraw/zinc/29/16/07/651291607.db2.gz GMHSNMFWWLTACR-WRWORJQWSA-N 0 3 307.224 2.314 20 5 DEBDHN CC([C@H](OC(=O)c1cncn1C)c1ccccc1F)[N+](=O)[O-] ZINC000845881509 651292118 /nfs/dbraw/zinc/29/21/18/651292118.db2.gz LNAAQIUJUHLQNC-RNCFNFMXSA-N 0 3 307.281 2.123 20 5 DEBDHN CCn1nncc1C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845884567 651292161 /nfs/dbraw/zinc/29/21/61/651292161.db2.gz ZQSYDCMNCZTVPE-TVQRCGJNSA-N 0 3 322.296 2.000 20 5 DEBDHN CC[C@@H](C)c1nc(C)c(CC(=O)OCC(C)[N+](=O)[O-])c(C)n1 ZINC000847713962 651412780 /nfs/dbraw/zinc/41/27/80/651412780.db2.gz GVDFCVQCXLYQDK-ZJUUUORDSA-N 0 3 309.366 2.358 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCCN1CCOC1=O ZINC000850431310 651927696 /nfs/dbraw/zinc/92/76/96/651927696.db2.gz BDNBDLZKXHZVKT-NSHDSACASA-N 0 3 323.349 2.096 20 5 DEBDHN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCN[C@H](C(C)C)C1 ZINC000856488932 651941380 /nfs/dbraw/zinc/94/13/80/651941380.db2.gz HREBDOUZIJIOFV-DDKJEQMHSA-N 0 3 317.389 2.455 20 5 DEBDHN CC1(C)CC[C@@H](CO)N(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000856803985 651988854 /nfs/dbraw/zinc/98/88/54/651988854.db2.gz OKZFAJZBTQIDBT-GJZGRUSLSA-N 0 3 308.378 2.111 20 5 DEBDHN COc1ccccc1[C@H](O)CNCc1cccc([N+](=O)[O-])c1 ZINC000853092874 652500379 /nfs/dbraw/zinc/50/03/79/652500379.db2.gz RHHJCMMCMCBZMY-OAHLLOKOSA-N 0 3 302.330 2.427 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000928435570 693778754 /nfs/dbraw/zinc/77/87/54/693778754.db2.gz HLQPQZVLXWBEPU-OLZOCXBDSA-N 0 3 305.378 2.342 20 5 DEBDHN CN(CCCn1ccnc1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000130624253 684191120 /nfs/dbraw/zinc/19/11/20/684191120.db2.gz ZEEIVTSWGAVTPC-UHFFFAOYSA-N 0 3 314.349 2.121 20 5 DEBDHN O=[N+]([O-])c1ccccc1CNC[C@@H]1CC2(CO1)CCOCC2 ZINC000865781059 687331964 /nfs/dbraw/zinc/33/19/64/687331964.db2.gz GIJKBOSZTIOMNL-AWEZNQCLSA-N 0 3 306.362 2.270 20 5 DEBDHN CC(C)NC(=O)[C@@H](C)N[C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866374038 687551374 /nfs/dbraw/zinc/55/13/74/687551374.db2.gz AEQDTJXSEHGJPY-WDEREUQCSA-N 0 3 311.357 2.168 20 5 DEBDHN CC(C)n1ncc(C(=O)OCC(C)[N+](=O)[O-])c1Br ZINC000870378843 688552890 /nfs/dbraw/zinc/55/28/90/688552890.db2.gz YDGJJTMDPVWYIE-SSDOTTSWSA-N 0 3 320.143 2.049 20 5 DEBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000871763438 688862806 /nfs/dbraw/zinc/86/28/06/688862806.db2.gz HJGVTXFCZJBMTH-KBPBESRZSA-N 0 3 304.350 2.295 20 5 DEBDHN C[C@H](NC[C@H]1CN2CCC[C@@H]2CO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872035676 688916766 /nfs/dbraw/zinc/91/67/66/688916766.db2.gz XZLOCLVFPSPASG-XQQFMLRXSA-N 0 3 323.368 2.248 20 5 DEBDHN COC[C@](C)(O)CN[C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872036449 688917878 /nfs/dbraw/zinc/91/78/78/688917878.db2.gz SAGJQPMVTHSBQR-QMTHXVAHSA-N 0 3 314.407 2.365 20 5 DEBDHN COC[C@@H](CCN[C@@H](C)c1c(F)cccc1[N+](=O)[O-])OC ZINC000872084798 688924151 /nfs/dbraw/zinc/92/41/51/688924151.db2.gz KUMJEIZDIZUHKG-WDEREUQCSA-N 0 3 300.330 2.436 20 5 DEBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000874845478 689516349 /nfs/dbraw/zinc/51/63/49/689516349.db2.gz VOPCZLGVCTXVJT-KBPBESRZSA-N 0 3 307.325 2.043 20 5 DEBDHN N[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC[C@H]1F ZINC000876976859 689988274 /nfs/dbraw/zinc/98/82/74/689988274.db2.gz RVOCVLCOPHCMLA-HUUCEWRRSA-N 0 3 317.320 2.259 20 5 DEBDHN COC[C@]1(CO)CCN(Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877572712 690156260 /nfs/dbraw/zinc/15/62/60/690156260.db2.gz HSROCKXBVZTYDI-MRXNPFEDSA-N 0 3 308.378 2.042 20 5 DEBDHN Cn1cc(CN2CC[C@@]3(CCc4ccccc43)C2)c([N+](=O)[O-])n1 ZINC000877811647 690238424 /nfs/dbraw/zinc/23/84/24/690238424.db2.gz RWRBPPRJNCJIOM-KRWDZBQOSA-N 0 3 312.373 2.418 20 5 DEBDHN CC(C)(NC[C@H](O)CC1(O)CCCC1)c1ccccc1[N+](=O)[O-] ZINC000878644215 690464571 /nfs/dbraw/zinc/46/45/71/690464571.db2.gz VYHHOOIVKYVLQR-CYBMUJFWSA-N 0 3 322.405 2.476 20 5 DEBDHN O=[N+]([O-])c1ccccc1/C=C\CNCC[C@H]1CCCS1(=O)=O ZINC000883300089 691477159 /nfs/dbraw/zinc/47/71/59/691477159.db2.gz NQEQCKARIWEBDX-JHAQOBCDSA-N 0 3 324.402 2.165 20 5 DEBDHN Cc1c([C@H](C)N[C@H]2C[C@H](S(C)(=O)=O)C2)cccc1[N+](=O)[O-] ZINC000883373920 691492462 /nfs/dbraw/zinc/49/24/62/691492462.db2.gz JHKXFMRRHLQXCU-SRVKXCTJSA-N 0 3 312.391 2.129 20 5 DEBDHN O=[N+]([O-])c1ncccc1CN[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000886171632 692016947 /nfs/dbraw/zinc/01/69/47/692016947.db2.gz KQCJOYHAFQHIII-BFHYXJOUSA-N 0 3 303.362 2.427 20 5 DEBDHN C[C@@H]1C[C@]2(CC[C@H](CNCc3ccccc3[N+](=O)[O-])O2)CO1 ZINC000886334387 692059747 /nfs/dbraw/zinc/05/97/47/692059747.db2.gz WFCYLZKVNRKEFU-XNRPHZJLSA-N 0 3 306.362 2.411 20 5 DEBDHN COC(=O)[C@@H]1CC[C@H](NCc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000886522051 692100165 /nfs/dbraw/zinc/10/01/65/692100165.db2.gz BCEOULQKVHUGTI-PWSUYJOCSA-N 0 3 308.334 2.035 20 5 DEBDHN CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1[N+](=O)[O-] ZINC001048494122 692629484 /nfs/dbraw/zinc/62/94/84/692629484.db2.gz WUCWDTSSQYGILY-RBVVOMGSSA-N 0 3 317.389 2.474 20 5 DEBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCN1C(C)(C)C ZINC001351044346 1151459037 /nfs/dbraw/zinc/45/90/37/1151459037.db2.gz MAWKEBJIAQUQIS-GFCCVEGCSA-N 0 3 320.393 2.239 20 5 DEBDHN CN1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000168623345 780608015 /nfs/dbraw/zinc/60/80/15/780608015.db2.gz UHGSMYOHTLCGLL-LLVKDONJSA-N 0 3 311.769 2.462 20 5 DEBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)C1 ZINC001169026620 785020481 /nfs/dbraw/zinc/02/04/81/785020481.db2.gz YBYCQWKMULAAPO-SMLCLMEVSA-N 0 3 324.421 2.090 20 5 DEBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCN(c3cccc(F)c3)CC2)C1 ZINC001169050024 785021371 /nfs/dbraw/zinc/02/13/71/785021371.db2.gz YBBNSRMPADSOLR-CJNGLKHVSA-N 0 3 307.369 2.393 20 5 DEBDHN COc1cc2c(cc1OC)CN([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169053095 785022884 /nfs/dbraw/zinc/02/28/84/785022884.db2.gz HLHHRLIVIOGRAW-BXUZGUMPSA-N 0 3 306.362 2.465 20 5 DEBDHN CC(C)N(C)CC(=O)N(C)CCCNc1ccccc1[N+](=O)[O-] ZINC001109463361 785889228 /nfs/dbraw/zinc/88/92/28/785889228.db2.gz DDFMTRDBFMDRJY-UHFFFAOYSA-N 0 3 322.409 2.195 20 5 DEBDHN COc1ccc(C[C@@H](C)N2CCC[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC001170328278 786910550 /nfs/dbraw/zinc/91/05/50/786910550.db2.gz ITENQDXJBWRBPO-CHWSQXEVSA-N 0 3 308.378 2.239 20 5 DEBDHN COc1ccc(C[C@@H](C)NCc2cccnn2)c([N+](=O)[O-])c1 ZINC001170307586 786915950 /nfs/dbraw/zinc/91/59/50/786915950.db2.gz HTORHEJYOVUSGM-LLVKDONJSA-N 0 3 302.334 2.114 20 5 DEBDHN COc1ccc(C[C@@H](C)N2CC[C@@H](C(C)=O)C2)c([N+](=O)[O-])c1 ZINC001170355152 786917902 /nfs/dbraw/zinc/91/79/02/786917902.db2.gz VZZGNNBOTLWZMV-BXUZGUMPSA-N 0 3 306.362 2.445 20 5 DEBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)C(C1CC1)C1CC1 ZINC001147176685 791480009 /nfs/dbraw/zinc/48/00/09/791480009.db2.gz SGPHYODXNBLHFC-UHFFFAOYSA-N 0 3 317.389 2.237 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)NCc2cncnc2)c1F ZINC001173176549 793618625 /nfs/dbraw/zinc/61/86/25/793618625.db2.gz HWSJFYQGPASKLP-SNVBAGLBSA-N 0 3 320.324 2.253 20 5 DEBDHN CCC1(N[C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])COC1 ZINC001173188029 793621433 /nfs/dbraw/zinc/62/14/33/793621433.db2.gz HVRJHNPNELLXAS-SNVBAGLBSA-N 0 3 312.341 2.442 20 5 DEBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001173221002 793638057 /nfs/dbraw/zinc/63/80/57/793638057.db2.gz FDWYVHUFIMYLLL-HONMWMINSA-N 0 3 312.316 2.492 20 5 DEBDHN Cc1cccc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)c1 ZINC001122991608 795835207 /nfs/dbraw/zinc/83/52/07/795835207.db2.gz UULNMZJUUMHZIK-UHFFFAOYSA-N 0 3 313.357 2.423 20 5 DEBDHN Cc1ccc(C(=O)NCCCNCc2csc([N+](=O)[O-])c2)o1 ZINC001154399178 797527320 /nfs/dbraw/zinc/52/73/20/797527320.db2.gz OIONXNQDOUMMHW-UHFFFAOYSA-N 0 3 323.374 2.467 20 5 DEBDHN CCc1cc(-n2nccc2CN)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001155130521 797690307 /nfs/dbraw/zinc/69/03/07/797690307.db2.gz WJNWTRJHKOQFTJ-UHFFFAOYSA-N 0 3 324.344 2.259 20 5 DEBDHN C[C@@H](N)c1nc2ccccc2n1-c1nc(Cl)ncc1[N+](=O)[O-] ZINC001155247219 797716388 /nfs/dbraw/zinc/71/63/88/797716388.db2.gz DPDIPVYYPJNGIA-SSDOTTSWSA-N 0 3 318.724 2.397 20 5 DEBDHN O=[N+]([O-])c1ccnc(-n2cncc2CNCc2ccccc2)c1 ZINC001156482870 798013224 /nfs/dbraw/zinc/01/32/24/798013224.db2.gz XUQMZHLSJMMCQZ-UHFFFAOYSA-N 0 3 309.329 2.465 20 5 DEBDHN Cc1ccc(-c2ccc(N[C@H]3CCN(C)C3)nn2)cc1[N+](=O)[O-] ZINC001156580690 798035142 /nfs/dbraw/zinc/03/51/42/798035142.db2.gz HXAQUBZDMHBYPW-ZDUSSCGKSA-N 0 3 313.361 2.476 20 5 DEBDHN Cc1cc([N+](=O)[O-])c(N2C[C@@H]3CCCN(C)[C@@H]3C2)nc1Cl ZINC001157265612 798173076 /nfs/dbraw/zinc/17/30/76/798173076.db2.gz KBMKJPKXNXTXIQ-CMPLNLGQSA-N 0 3 310.785 2.482 20 5 DEBDHN COc1cnc(N2CCN[C@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001157759960 798272544 /nfs/dbraw/zinc/27/25/44/798272544.db2.gz ZIEZVCWEAOJXFI-AWEZNQCLSA-N 0 3 314.345 2.149 20 5 DEBDHN Cc1cc(C)n(CCNc2cc3c(cc2[N+](=O)[O-])CNC3)n1 ZINC001162147864 799020750 /nfs/dbraw/zinc/02/07/50/799020750.db2.gz GGRUCOHNNVBTPQ-UHFFFAOYSA-N 0 3 301.350 2.123 20 5 DEBDHN COc1ccc(CN2CCCCCNC(=O)CC2)cc1[N+](=O)[O-] ZINC000934162017 800277116 /nfs/dbraw/zinc/27/71/16/800277116.db2.gz FSCLBHOILSTYOH-UHFFFAOYSA-N 0 3 321.377 2.096 20 5 DEBDHN CN1CC[C@H](Oc2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC001229080523 801219290 /nfs/dbraw/zinc/21/92/90/801219290.db2.gz GGTGKUIFYHSQLL-VIFPVBQESA-N 0 3 301.140 2.440 20 5 DEBDHN CN(CCCNC(=O)CC1CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001231139830 801589825 /nfs/dbraw/zinc/58/98/25/801589825.db2.gz YHARAIKYULAHFD-UHFFFAOYSA-N 0 3 305.378 2.333 20 5 DEBDHN COCCN1CCC(Oc2cc(F)c([N+](=O)[O-])c(F)c2)CC1 ZINC001233752532 802196913 /nfs/dbraw/zinc/19/69/13/802196913.db2.gz DODNFXKUOOAHDX-UHFFFAOYSA-N 0 3 316.304 2.363 20 5 DEBDHN COCCCOc1cccc(C(=O)OCC(C)[N+](=O)[O-])c1C ZINC001344996790 1150857262 /nfs/dbraw/zinc/85/72/62/1150857262.db2.gz IUIJXZULWGFFLR-NSHDSACASA-N 0 3 311.334 2.232 20 5 DEBDHN Cc1ccccc1[C@@H](CO)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001346110359 1150941731 /nfs/dbraw/zinc/94/17/31/1150941731.db2.gz PTWUBNICELPKDF-SJORKVTESA-N 0 3 316.357 2.260 20 5 DEBDHN COc1cc(C[NH2+]CCc2ccncc2C)c([N+](=O)[O-])cc1[O-] ZINC001461366275 1058646213 /nfs/dbraw/zinc/64/62/13/1058646213.db2.gz WSTVWYDJJHIEJO-UHFFFAOYSA-N 0 3 317.345 2.345 20 5 DEBDHN CC[C@H]([NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-])[C@@H](O)C(C)C ZINC001462347917 1058807086 /nfs/dbraw/zinc/80/70/86/1058807086.db2.gz LMFIFGLCSZJIJQ-FZMZJTMJSA-N 0 3 312.366 2.194 20 5 DEBDHN CC(C)(N)c1cc(CN2CCc3ccc([N+](=O)[O-])cc3C2)on1 ZINC001575365836 1066276337 /nfs/dbraw/zinc/27/63/37/1066276337.db2.gz OZGZZNIFYLCTBY-UHFFFAOYSA-N 0 3 316.361 2.335 20 5 DEBDHN C[C@@H]1OC(C)(C)N[C@H]1CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC001576911381 1066720046 /nfs/dbraw/zinc/72/00/46/1066720046.db2.gz ZIFJPGJAPBAFQI-IUCAKERBSA-N 0 3 310.310 2.028 20 5 DEBDHN CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2OC)[C@@H](CC)CN1 ZINC001573719439 1069079059 /nfs/dbraw/zinc/07/90/59/1069079059.db2.gz OXZTVZGTEARLJZ-RYUDHWBXSA-N 0 3 321.377 2.206 20 5 DEBDHN CCN1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)C(C)(C)C1 ZINC001558524672 1075097497 /nfs/dbraw/zinc/09/74/97/1075097497.db2.gz DEWYCHILNMKURP-CQSZACIVSA-N 0 3 321.377 2.064 20 5 DEBDHN COc1cc(C[NH2+]CCc2nccs2)c([N+](=O)[O-])cc1[O-] ZINC001560300479 1075136196 /nfs/dbraw/zinc/13/61/96/1075136196.db2.gz CTZUOTAJHPJWIB-UHFFFAOYSA-N 0 3 309.347 2.098 20 5 DEBDHN COc1cc(CNCCc2nccs2)c([N+](=O)[O-])cc1O ZINC001560300479 1075136198 /nfs/dbraw/zinc/13/61/98/1075136198.db2.gz CTZUOTAJHPJWIB-UHFFFAOYSA-N 0 3 309.347 2.098 20 5 DEBDHN CC[C@@]1(C)CC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590489695 1076639397 /nfs/dbraw/zinc/63/93/97/1076639397.db2.gz KDPVIHNOJXKCGW-HNNXBMFYSA-N 0 3 316.365 2.397 20 5 DEBDHN CC[C@@]1(C)CC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590489695 1076639399 /nfs/dbraw/zinc/63/93/99/1076639399.db2.gz KDPVIHNOJXKCGW-HNNXBMFYSA-N 0 3 316.365 2.397 20 5 DEBDHN CCC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])CC1CC1 ZINC001609214484 1077803284 /nfs/dbraw/zinc/80/32/84/1077803284.db2.gz KJUKISTXFWXHOT-UHFFFAOYSA-N 0 3 316.365 2.397 20 5 DEBDHN CCC[N@H+](Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])CC1CC1 ZINC001609214484 1077803286 /nfs/dbraw/zinc/80/32/86/1077803286.db2.gz KJUKISTXFWXHOT-UHFFFAOYSA-N 0 3 316.365 2.397 20 5 DEBDHN O=[N+]([O-])c1cccc(Br)c1CNC[C@@H]1CCOC1 ZINC001660911840 1080415843 /nfs/dbraw/zinc/41/58/43/1080415843.db2.gz KWCGWTDSIDIVPH-VIFPVBQESA-N 0 3 315.167 2.483 20 5 DEBDHN NCc1cn(-c2c(Br)cc(F)cc2[N+](=O)[O-])cn1 ZINC001162302631 1086317273 /nfs/dbraw/zinc/31/72/73/1086317273.db2.gz XFTXLLHIXWQLJT-UHFFFAOYSA-N 0 3 315.102 2.141 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CCN(C2CC2)C1 ZINC001649175443 1091799345 /nfs/dbraw/zinc/79/93/45/1091799345.db2.gz GUVQJMKRCGIILM-ZDUSSCGKSA-N 0 3 305.378 2.320 20 5 DEBDHN CN(CCCNCc1ccccc1[N+](=O)[O-])C(=O)C1(C)CC1 ZINC001276012325 1092512704 /nfs/dbraw/zinc/51/27/04/1092512704.db2.gz SWRLOFIBBAVXIP-UHFFFAOYSA-N 0 3 305.378 2.333 20 5 DEBDHN O=[N+]([O-])c1ccccc1CNC[C@H](CO)CC1CCOCC1 ZINC001321014988 1141030475 /nfs/dbraw/zinc/03/04/75/1141030475.db2.gz GZTJUTZKWQVUFN-CQSZACIVSA-N 0 3 308.378 2.110 20 5 DEBDHN COC(=O)[C@H]1CN([C@H](C)Cc2ccccc2[N+](=O)[O-])CC12CC2 ZINC001254571364 1143255852 /nfs/dbraw/zinc/25/58/52/1143255852.db2.gz SYSIHYPRNBETMR-TZMCWYRMSA-N 0 3 318.373 2.411 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CCN(CC3CC3)CC1)C2 ZINC001254600758 1143273936 /nfs/dbraw/zinc/27/39/36/1143273936.db2.gz RGSULYLCERNZLR-QGZVFWFLSA-N 0 3 301.390 2.090 20 5 DEBDHN C[C@@H](NC(=O)NC[C@H]1CCCCN1C)c1ccc([N+](=O)[O-])cc1 ZINC001340848594 1143464737 /nfs/dbraw/zinc/46/47/37/1143464737.db2.gz QAPWUGUNZOTGNG-IUODEOHRSA-N 0 3 320.393 2.439 20 5 DEBDHN O=[N+]([O-])c1cc(CNC[C@@H](CO)CC2CCOCC2)cs1 ZINC001256034102 1143823561 /nfs/dbraw/zinc/82/35/61/1143823561.db2.gz BKPZTEBCDNGBCW-LBPRGKRZSA-N 0 3 314.407 2.171 20 5 DEBDHN COc1cc(N2CCC(N(C)CCF)CC2)ccc1[N+](=O)[O-] ZINC001256103253 1143829653 /nfs/dbraw/zinc/82/96/53/1143829653.db2.gz KCEOMHCLLROWPR-UHFFFAOYSA-N 0 3 311.357 2.474 20 5 DEBDHN COc1nc(Cl)c(CNCCc2cccc([N+](=O)[O-])c2)n1C ZINC001308356850 1147467652 /nfs/dbraw/zinc/46/76/52/1147467652.db2.gz KVYQOVVRNUGYKH-UHFFFAOYSA-N 0 3 324.768 2.323 20 5 DEBDHN Cc1cncc([N+](=O)[O-])c1NCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC001326089804 1148039527 /nfs/dbraw/zinc/03/95/27/1148039527.db2.gz GWSXFRNTXVWRKW-ZIAGYGMSSA-N 0 3 322.409 2.021 20 5 DEBDHN CC(C)C(=O)NCC1(NCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001326785219 1148244383 /nfs/dbraw/zinc/24/43/83/1148244383.db2.gz KJHLBSBBDMYAOP-UHFFFAOYSA-N 0 3 305.378 2.379 20 5 DEBDHN Cc1nc2n(n1)C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000178224317 282117420 /nfs/dbraw/zinc/11/74/20/282117420.db2.gz RBARMANRCSUWMC-GWCFXTLKSA-N 0 3 301.350 2.160 20 5 DEBDHN Cc1nc2n(n1)C[C@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000178224333 282126844 /nfs/dbraw/zinc/12/68/44/282126844.db2.gz RBARMANRCSUWMC-ZWNOBZJWSA-N 0 3 301.350 2.160 20 5 DEBDHN C[C@H](CCn1cccn1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278565130 214240088 /nfs/dbraw/zinc/24/00/88/214240088.db2.gz BITPKCFZYRTYHW-LLVKDONJSA-N 0 3 314.349 2.236 20 5 DEBDHN Cn1cc([C@H](O)CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000278715072 214347749 /nfs/dbraw/zinc/34/77/49/214347749.db2.gz LYKGGWCVWYKZPE-JKSUJKDBSA-N 0 3 316.361 2.029 20 5 DEBDHN CCNC(=O)N1CC[C@@H](N[C@@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000181336214 199282508 /nfs/dbraw/zinc/28/25/08/199282508.db2.gz HMVBUXYXRRZWSJ-HIFRSBDPSA-N 0 3 320.393 2.439 20 5 DEBDHN CN1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413113777 529794428 /nfs/dbraw/zinc/79/44/28/529794428.db2.gz CTGSUFYBPJAUEU-QMMMGPOBSA-N 0 3 304.272 2.372 20 5 DEBDHN CN(C[C@@H]1CCCN1C)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000331858280 529949518 /nfs/dbraw/zinc/94/95/18/529949518.db2.gz WLOHGUKNKZHAID-LBPRGKRZSA-N 0 3 316.361 2.242 20 5 DEBDHN C[C@H](NC(=O)NCCN1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000299031313 299154705 /nfs/dbraw/zinc/15/47/05/299154705.db2.gz NXELZKRSFQAZCL-ZDUSSCGKSA-N 0 3 320.393 2.441 20 5 DEBDHN C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000287081366 219300533 /nfs/dbraw/zinc/30/05/33/219300533.db2.gz KNYLQUWNWUZWAE-NHYWBVRUSA-N 0 3 321.352 2.433 20 5 DEBDHN CN(C)[C@H]1CCCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000149223376 186048505 /nfs/dbraw/zinc/04/85/05/186048505.db2.gz KZKKUTXSZOETPF-JTQLQIEISA-N 0 3 311.769 2.414 20 5 DEBDHN CN(C)C[C@@H]1CCCCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000148791835 186045687 /nfs/dbraw/zinc/04/56/87/186045687.db2.gz QKHPRWXSGDNZIA-HNNXBMFYSA-N 0 3 305.378 2.080 20 5 DEBDHN O=[N+]([O-])c1ccc(CNC[C@]2(O)CCSC2)c(Cl)c1 ZINC000183849531 186224302 /nfs/dbraw/zinc/22/43/02/186224302.db2.gz RDFSTWSUQDBDRN-GFCCVEGCSA-N 0 3 302.783 2.206 20 5 DEBDHN Cc1noc(CN(C)CCCN(C)Cc2ccco2)c1[N+](=O)[O-] ZINC000595481802 358460273 /nfs/dbraw/zinc/46/02/73/358460273.db2.gz BIDZWHOBUUAXGU-UHFFFAOYSA-N 0 3 322.365 2.438 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NCCN2CCC(C)CC2)c1 ZINC000173097609 198184644 /nfs/dbraw/zinc/18/46/44/198184644.db2.gz KWVMCINCNAPHIJ-UHFFFAOYSA-N 0 3 305.378 2.365 20 5 DEBDHN COCC1CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000173736714 198246791 /nfs/dbraw/zinc/24/67/91/198246791.db2.gz LNZMWNPQXKDWKN-UHFFFAOYSA-N 0 3 324.377 2.341 20 5 DEBDHN CCOC(=O)CCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174241721 198310063 /nfs/dbraw/zinc/31/00/63/198310063.db2.gz CHPMRXIGBFFOEL-UHFFFAOYSA-N 0 3 322.361 2.391 20 5 DEBDHN Cc1cccnc1[C@H](NCCn1cc([N+](=O)[O-])cn1)C(C)C ZINC000174864877 198394566 /nfs/dbraw/zinc/39/45/66/198394566.db2.gz QZNIUTIVGWTCRA-CQSZACIVSA-N 0 3 303.366 2.482 20 5 DEBDHN Cc1nn(C)c(N2CCN(CCC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000054838788 354476049 /nfs/dbraw/zinc/47/60/49/354476049.db2.gz KSPGWTBZYAQZJM-UHFFFAOYSA-N 0 3 309.414 2.195 20 5 DEBDHN CN(C)C[C@H]1CCCCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000066947641 354740927 /nfs/dbraw/zinc/74/09/27/354740927.db2.gz IFEWYFLBZDCBOT-CQSZACIVSA-N 0 3 305.378 2.080 20 5 DEBDHN O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H]1CN1CCCCC1 ZINC000068134653 354799411 /nfs/dbraw/zinc/79/94/11/354799411.db2.gz QSIOUJIMBHUHIW-LBPRGKRZSA-N 0 3 307.350 2.278 20 5 DEBDHN CO[C@@H]1CCCC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000276992604 213225762 /nfs/dbraw/zinc/22/57/62/213225762.db2.gz NGLOHGSOOXEXRI-HUUCEWRRSA-N 0 3 321.377 2.389 20 5 DEBDHN COC[C@](C)(O)CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000069912446 354880844 /nfs/dbraw/zinc/88/08/44/354880844.db2.gz XEQYENXRVNEQRL-MRXNPFEDSA-N 0 3 320.345 2.342 20 5 DEBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000072831231 354923620 /nfs/dbraw/zinc/92/36/20/354923620.db2.gz AIOIYTUCPWASJZ-BLLLJJGKSA-N 0 3 303.362 2.258 20 5 DEBDHN CC(C)[C@H](CNc1ccc([N+](=O)[O-])cc1)N1CCN(C)CC1 ZINC000074055332 355002583 /nfs/dbraw/zinc/00/25/83/355002583.db2.gz PNVRNMZORUCGHA-INIZCTEOSA-N 0 3 306.410 2.279 20 5 DEBDHN O=[N+]([O-])c1c(F)cccc1NC1CCN([C@@H]2CCOC2)CC1 ZINC000089603396 355538672 /nfs/dbraw/zinc/53/86/72/355538672.db2.gz ZUSISLRHGVLXFR-GFCCVEGCSA-N 0 3 309.341 2.399 20 5 DEBDHN CCOc1ccc([C@@H](C)N[C@H]2CCN(C(C)=O)C2)cc1[N+](=O)[O-] ZINC000090447471 355561381 /nfs/dbraw/zinc/56/13/81/355561381.db2.gz AIMMUNJNQUTBJU-RISCZKNCSA-N 0 3 321.377 2.265 20 5 DEBDHN Cc1c([C@@H](C)NCC2(CO)CCOCC2)cccc1[N+](=O)[O-] ZINC000090661185 355566223 /nfs/dbraw/zinc/56/62/23/355566223.db2.gz SWHAFBSLMCQMFB-CYBMUJFWSA-N 0 3 308.378 2.343 20 5 DEBDHN Cc1cccc(C(=O)N[C@@H]2CCN(CC3CC3)C2)c1[N+](=O)[O-] ZINC000108303196 355733106 /nfs/dbraw/zinc/73/31/06/355733106.db2.gz YBKSQWPUJAWWBK-CYBMUJFWSA-N 0 3 303.362 2.117 20 5 DEBDHN O=[N+]([O-])c1cccc(F)c1NC1CCN([C@@H]2CCOC2)CC1 ZINC000588002836 357386475 /nfs/dbraw/zinc/38/64/75/357386475.db2.gz TTWJFFFYWFVALJ-GFCCVEGCSA-N 0 3 309.341 2.399 20 5 DEBDHN C[C@@H]1[C@H](C)N(c2ncnc3sc([N+](=O)[O-])cc32)CCN1C ZINC000588011376 357388274 /nfs/dbraw/zinc/38/82/74/357388274.db2.gz CTSSVNXNAMKWIU-BDAKNGLRSA-N 0 3 307.379 2.128 20 5 DEBDHN CCn1c(C)nc([N+](=O)[O-])c1N1[C@@H]2CC[C@H]1CN(CC)CC2 ZINC000588822791 357427155 /nfs/dbraw/zinc/42/71/55/357427155.db2.gz BRVZSILYVVJVGI-OLZOCXBDSA-N 0 3 307.398 2.183 20 5 DEBDHN CCc1nc(CNCC(C)=Cc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000449344879 283273558 /nfs/dbraw/zinc/27/35/58/283273558.db2.gz FOUYTIWXMRFECY-XFFZJAGNSA-N 0 3 301.350 2.468 20 5 DEBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCc2ccccc21 ZINC000179313787 199013936 /nfs/dbraw/zinc/01/39/36/199013936.db2.gz DXTCDCSJBHSIHX-INIZCTEOSA-N 0 3 313.357 2.376 20 5 DEBDHN CCOc1ccc(C(=O)N2CCN[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000592543879 357900109 /nfs/dbraw/zinc/90/01/09/357900109.db2.gz UIZLBHLIBSYYMP-CYBMUJFWSA-N 0 3 321.377 2.064 20 5 DEBDHN CCCN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@H]1CCN(C)C1 ZINC000592830017 357952711 /nfs/dbraw/zinc/95/27/11/357952711.db2.gz AUALAEGQBHMVNQ-AWEZNQCLSA-N 0 3 305.378 2.080 20 5 DEBDHN C[C@@H](NC[C@H]1COC2(CCOCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000179988080 199103450 /nfs/dbraw/zinc/10/34/50/199103450.db2.gz ZILRSWASMRHNBU-DOMZBBRYSA-N 0 3 322.361 2.168 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N(C)CCN1CCCCC1 ZINC000593882363 358164234 /nfs/dbraw/zinc/16/42/34/358164234.db2.gz JAHNBZKUOOKEBP-UHFFFAOYSA-N 0 3 305.378 2.461 20 5 DEBDHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)c1ccccc1[N+](=O)[O-] ZINC000594198162 358221613 /nfs/dbraw/zinc/22/16/13/358221613.db2.gz DPWQHYKEWCGLIN-HIFRSBDPSA-N 0 3 303.362 2.342 20 5 DEBDHN NC(=O)c1ccc(N[C@H]2CCCN3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000594602524 358302587 /nfs/dbraw/zinc/30/25/87/358302587.db2.gz QYMHCSAIULHSMX-JSGCOSHPSA-N 0 3 318.377 2.123 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC1CCN(C(C)=O)CC1 ZINC000595004651 358376912 /nfs/dbraw/zinc/37/69/12/358376912.db2.gz QQXRUESTTKAXFP-LLVKDONJSA-N 0 3 321.377 2.265 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H](O)C1CCOCC1 ZINC000595018711 358378822 /nfs/dbraw/zinc/37/88/22/358378822.db2.gz FEFIZVXBCVAFHK-NHYWBVRUSA-N 0 3 324.377 2.042 20 5 DEBDHN CCn1cnnc1CCN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595019890 358379662 /nfs/dbraw/zinc/37/96/62/358379662.db2.gz RVGXOGDZTBWYOA-LLVKDONJSA-N 0 3 319.365 2.108 20 5 DEBDHN CS[C@@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000595404216 358440276 /nfs/dbraw/zinc/44/02/76/358440276.db2.gz OVFFXCGJJLPMJI-ZIAGYGMSSA-N 0 3 313.398 2.211 20 5 DEBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@H]([C@H]3CCCCO3)C2)c1 ZINC000595785609 358548852 /nfs/dbraw/zinc/54/88/52/358548852.db2.gz FSTMUCJSUQFWCQ-DZGCQCFKSA-N 0 3 308.382 2.072 20 5 DEBDHN Cc1cc(NCCCCN2CCN(C)CC2)c([N+](=O)[O-])s1 ZINC000596077453 358605525 /nfs/dbraw/zinc/60/55/25/358605525.db2.gz QOEPWXAPQORJSJ-UHFFFAOYSA-N 0 3 312.439 2.404 20 5 DEBDHN C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596086028 358607073 /nfs/dbraw/zinc/60/70/73/358607073.db2.gz SPDPVGBABRJKEL-IJLUTSLNSA-N 0 3 308.382 2.474 20 5 DEBDHN Cc1cc(N2CCN([C@@H]3CCCN(C)C3)CC2)c([N+](=O)[O-])s1 ZINC000596127956 358617438 /nfs/dbraw/zinc/61/74/38/358617438.db2.gz DJZPOGKUIZJYGG-CYBMUJFWSA-N 0 3 324.450 2.181 20 5 DEBDHN CS[C@H]1CN(c2cc(C)sc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000596179381 358631797 /nfs/dbraw/zinc/63/17/97/358631797.db2.gz PHBQTGQVNCBPLQ-QWRGUYRKSA-N 0 3 301.437 2.447 20 5 DEBDHN NC(=O)c1cc(NC[C@H]2CCCCN2C2CC2)ccc1[N+](=O)[O-] ZINC000596211803 358641521 /nfs/dbraw/zinc/64/15/21/358641521.db2.gz WQNDCZKLRVOIEL-CYBMUJFWSA-N 0 3 318.377 2.123 20 5 DEBDHN CC(C)c1n[nH]c(C(=O)N[C@@H]2CCN(C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000597925863 359044315 /nfs/dbraw/zinc/04/43/15/359044315.db2.gz XKMDXNDOSZJSSM-SNVBAGLBSA-N 0 3 323.397 2.044 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000597926111 359044713 /nfs/dbraw/zinc/04/47/13/359044713.db2.gz VQBUVVKDRYQAFC-NSHDSACASA-N 0 3 321.377 2.206 20 5 DEBDHN COC(=O)c1ccnc(N[C@H](C)CN2CCCCC2)c1[N+](=O)[O-] ZINC000598590572 359252951 /nfs/dbraw/zinc/25/29/51/359252951.db2.gz OUJGEMKNOSTAOQ-LLVKDONJSA-N 0 3 322.365 2.063 20 5 DEBDHN C[C@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000601422596 360036539 /nfs/dbraw/zinc/03/65/39/360036539.db2.gz USQLPEICHGWLSG-JTQLQIEISA-N 0 3 307.325 2.114 20 5 DEBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](CO)COC ZINC000281170327 216127316 /nfs/dbraw/zinc/12/73/16/216127316.db2.gz PTWROPDJWZQSHL-RYUDHWBXSA-N 0 3 314.407 2.062 20 5 DEBDHN CSCCCN(C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000281208662 216153730 /nfs/dbraw/zinc/15/37/30/216153730.db2.gz AXSVCAUZJAJFTB-LBPRGKRZSA-N 0 3 314.407 2.019 20 5 DEBDHN COC[C@@H](O)CCNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602578362 360440728 /nfs/dbraw/zinc/44/07/28/360440728.db2.gz DOTZRGYYVGUNFR-NSHDSACASA-N 0 3 322.283 2.101 20 5 DEBDHN C[C@@H](NC1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1cn[nH]c1 ZINC000602579209 360441981 /nfs/dbraw/zinc/44/19/81/360441981.db2.gz IHGPSZNDODEGCO-LLVKDONJSA-N 0 3 316.365 2.033 20 5 DEBDHN CN(C)CCn1cc(NCCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000602534697 360422293 /nfs/dbraw/zinc/42/22/93/360422293.db2.gz JITOTOTWWHVCQX-UHFFFAOYSA-N 0 3 303.366 2.008 20 5 DEBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N(C)C1CCN(CCO)CC1 ZINC000441318263 238017396 /nfs/dbraw/zinc/01/73/96/238017396.db2.gz OOHUHLIJKHXXSO-ZDUSSCGKSA-N 0 3 307.394 2.044 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCS[C@H]2CCCC[C@H]21 ZINC000602789196 360555704 /nfs/dbraw/zinc/55/57/04/360555704.db2.gz SPAMEGOBCQNEJP-OLZOCXBDSA-N 0 3 310.423 2.460 20 5 DEBDHN CCO[C@@H]1C[C@H](N(C)CCn2c(C)ncc2[N+](=O)[O-])C1(C)C ZINC000602779229 360550075 /nfs/dbraw/zinc/55/00/75/360550075.db2.gz LILUJPZIYBQERQ-QWHCGFSZSA-N 0 3 310.398 2.235 20 5 DEBDHN CO[C@@]1(C)C[C@@H](N(C)CCn2c(C)ncc2[N+](=O)[O-])C1(C)C ZINC000602783320 360550880 /nfs/dbraw/zinc/55/08/80/360550880.db2.gz KWIJFXZKLLUPBY-DOMZBBRYSA-N 0 3 310.398 2.235 20 5 DEBDHN O=[N+]([O-])c1ccccc1Cn1cc(CCN2CCCCC2)nn1 ZINC000603187464 360739226 /nfs/dbraw/zinc/73/92/26/360739226.db2.gz UXIVNBJSZQNCFS-UHFFFAOYSA-N 0 3 315.377 2.263 20 5 DEBDHN O=[N+]([O-])c1ccc(OCCN2CCC3(CCOC3)CC2)cc1 ZINC000611177168 361541017 /nfs/dbraw/zinc/54/10/17/361541017.db2.gz ATNMENGTKRVHSE-UHFFFAOYSA-N 0 3 306.362 2.476 20 5 DEBDHN C[C@@H]1CN(C)CC[C@H]1N(C)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611707660 361663223 /nfs/dbraw/zinc/66/32/23/361663223.db2.gz KGHXADCRSODVGJ-IAQYHMDHSA-N 0 3 315.377 2.314 20 5 DEBDHN O=C(C1CCN(C2CC2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000195317776 283758733 /nfs/dbraw/zinc/75/87/33/283758733.db2.gz JWJSWJBPBPPYCC-UHFFFAOYSA-N 0 3 315.373 2.358 20 5 DEBDHN CSC[C@@H](O)CN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550832 243112563 /nfs/dbraw/zinc/11/25/63/243112563.db2.gz SEQTTWDNYGIHEU-HIFRSBDPSA-N 0 3 310.419 2.498 20 5 DEBDHN C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H](C)N1CCOCC1 ZINC000134209389 296150691 /nfs/dbraw/zinc/15/06/91/296150691.db2.gz KXEKLKIKPFDYCF-HZSPNIEDSA-N 0 3 307.394 2.355 20 5 DEBDHN CCN1C[C@H](N[C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1=O ZINC000453331321 245075785 /nfs/dbraw/zinc/07/57/85/245075785.db2.gz TWKDIYGLGNOKLB-HUUCEWRRSA-N 0 3 317.389 2.126 20 5 DEBDHN COC(=O)[C@@H]1CC12CCN(CCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000265087532 204386443 /nfs/dbraw/zinc/38/64/43/204386443.db2.gz SZODMYGNNVVWSQ-HNNXBMFYSA-N 0 3 318.373 2.412 20 5 DEBDHN COc1ccc(CN(C)CCCn2ccnc2)cc1[N+](=O)[O-] ZINC000271740702 209172467 /nfs/dbraw/zinc/17/24/67/209172467.db2.gz WGHKQBAHZPQNGD-UHFFFAOYSA-N 0 3 304.350 2.322 20 5 DEBDHN CC(C)NC(=O)CN[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000160915277 197449834 /nfs/dbraw/zinc/44/98/34/197449834.db2.gz AZQGNZYRHYLPDU-CQSZACIVSA-N 0 3 305.378 2.030 20 5 DEBDHN C[C@H](NC(=O)N[C@@H]1CCN(C)[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000454639645 246013218 /nfs/dbraw/zinc/01/32/18/246013218.db2.gz IXSLTOGMKUFPJX-SGMGOOAPSA-N 0 3 320.393 2.438 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H](C)CN1CCOCC1 ZINC000156782531 291623200 /nfs/dbraw/zinc/62/32/00/291623200.db2.gz SPKDNPSCQCNGQW-UONOGXRCSA-N 0 3 307.394 2.275 20 5 DEBDHN CN(C)CC1(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CCC1 ZINC000492596176 249097382 /nfs/dbraw/zinc/09/73/82/249097382.db2.gz OVGLCEKJQDKZOL-BQYQJAHWSA-N 0 3 303.362 2.209 20 5 DEBDHN CN(CCN(C)C1CC1)C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000492648797 249108427 /nfs/dbraw/zinc/10/84/27/249108427.db2.gz ONDGOCMLIBOXCZ-XBXARRHUSA-N 0 3 321.352 2.300 20 5 DEBDHN O=[N+]([O-])c1cnn(CCNC2(c3ccccc3)CCOCC2)c1 ZINC000533381709 284780280 /nfs/dbraw/zinc/78/02/80/284780280.db2.gz WAXJBKXNPFDXTH-UHFFFAOYSA-N 0 3 316.361 2.087 20 5 DEBDHN COCCCN1CCC(Nc2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000268536874 206786460 /nfs/dbraw/zinc/78/64/60/206786460.db2.gz YPLAWKXZSQWNPC-UHFFFAOYSA-N 0 3 308.382 2.211 20 5 DEBDHN COCCN1CC[C@H](N[C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000268842929 207007598 /nfs/dbraw/zinc/00/75/98/207007598.db2.gz AXLBCRPEFYRKLA-KGLIPLIRSA-N 0 3 307.394 2.275 20 5 DEBDHN COc1ccc(CN[C@H]2CCCc3cn[nH]c32)cc1[N+](=O)[O-] ZINC000268873144 207041295 /nfs/dbraw/zinc/04/12/95/207041295.db2.gz VUMDHQQKMUCKJI-LBPRGKRZSA-N 0 3 302.334 2.494 20 5 DEBDHN CCC[C@H](NC[C@H]1CN(C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000268902619 207070537 /nfs/dbraw/zinc/07/05/37/207070537.db2.gz LJOLXKYCXLDZQM-IRXDYDNUSA-N 0 3 320.437 2.271 20 5 DEBDHN O=[N+]([O-])c1c(N2CC[C@@H](N3CCCCC3)C2)nc2sccn21 ZINC000408098688 285078018 /nfs/dbraw/zinc/07/80/18/285078018.db2.gz HDVRJFMEWKGDMQ-LLVKDONJSA-N 0 3 321.406 2.369 20 5 DEBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CC1CCOCC1 ZINC000156097040 197085833 /nfs/dbraw/zinc/08/58/33/197085833.db2.gz YARKPNGXJJCWNW-GFCCVEGCSA-N 0 3 321.377 2.280 20 5 DEBDHN C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)N1CCCC1 ZINC000542716095 285245942 /nfs/dbraw/zinc/24/59/42/285245942.db2.gz ABGXOFUMXRNUSW-SNVBAGLBSA-N 0 3 310.329 2.340 20 5 DEBDHN CC(C)OCCN1CCC(Nc2ccc([N+](=O)[O-])nc2)CC1 ZINC000356229173 133073548 /nfs/dbraw/zinc/07/35/48/133073548.db2.gz XGCNJJYGRGLLNV-UHFFFAOYSA-N 0 3 308.382 2.291 20 5 DEBDHN C[C@H]1C[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000357412955 133076275 /nfs/dbraw/zinc/07/62/75/133076275.db2.gz KXTZSFIVPGMNNJ-JSGCOSHPSA-N 0 3 319.405 2.471 20 5 DEBDHN C[C@H](C(=O)NC[C@@H]1CCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000564765936 292109211 /nfs/dbraw/zinc/10/92/11/292109211.db2.gz ORDKOKPQVKEQDN-STQMWFEESA-N 0 3 305.378 2.156 20 5 DEBDHN O=[N+]([O-])c1ccc(CN2CC[C@H](N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000193834661 145090987 /nfs/dbraw/zinc/09/09/87/145090987.db2.gz SJUBEZIOWFPXGT-AWEZNQCLSA-N 0 3 320.349 2.173 20 5 DEBDHN O=[N+]([O-])c1ccc(OCCN2CCS[C@@H]3COCC[C@H]32)cc1 ZINC000246943694 145120130 /nfs/dbraw/zinc/12/01/30/145120130.db2.gz NQNMTQWGENPDJJ-HUUCEWRRSA-N 0 3 324.402 2.180 20 5 DEBDHN C[C@H](N[C@H]1CC(=O)N2CCCC[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC000318715956 145369136 /nfs/dbraw/zinc/36/91/36/145369136.db2.gz RBXOLTUVOODGAM-CQDKDKBSSA-N 0 3 303.362 2.399 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(C)CC[C@H]1C ZINC000346406953 146077094 /nfs/dbraw/zinc/07/70/94/146077094.db2.gz ZUGDKVDXWLHUSW-LLVKDONJSA-N 0 3 322.365 2.161 20 5 DEBDHN CN(C)CCN(C(=O)c1ccc([N+](=O)[O-])n1C)c1ccccc1 ZINC000348748272 146302962 /nfs/dbraw/zinc/30/29/62/146302962.db2.gz HZIXQKZLHMNUSZ-UHFFFAOYSA-N 0 3 316.361 2.142 20 5 DEBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000358418622 147129969 /nfs/dbraw/zinc/12/99/69/147129969.db2.gz ZUKWBATWIRBAQZ-IAQYHMDHSA-N 0 3 323.368 2.075 20 5 DEBDHN Cc1c(CNC(=O)N[C@H]2CCCN(C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000359284201 147298682 /nfs/dbraw/zinc/29/86/82/147298682.db2.gz LFTQDRHBUJJKJP-OCCSQVGLSA-N 0 3 320.393 2.185 20 5 DEBDHN C[C@H](C(=O)N1CC[S@@](=O)CC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000565635676 292174132 /nfs/dbraw/zinc/17/41/32/292174132.db2.gz ANNSNICWFDBTMR-IBILFNBTSA-N 0 3 324.402 2.068 20 5 DEBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@@H](C3CCOCC3)C2)c1 ZINC000374364165 148236141 /nfs/dbraw/zinc/23/61/41/148236141.db2.gz FSFWEYBEZDAMMB-WBVHZDCISA-N 0 3 320.389 2.377 20 5 DEBDHN C[C@H](C1CC1)N(C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000073780318 401721774 /nfs/dbraw/zinc/72/17/74/401721774.db2.gz HXEJGXCJKVDOQH-LLVKDONJSA-N 0 3 303.362 2.214 20 5 DEBDHN Cc1c(CC(=O)N2CC[C@@H]3CC[C@H](C2)N3C)cccc1[N+](=O)[O-] ZINC000126822470 401709960 /nfs/dbraw/zinc/70/99/60/401709960.db2.gz CCZBHZPJOFTLRB-LSDHHAIUSA-N 0 3 317.389 2.141 20 5 DEBDHN CCN1CCCC[C@@H]1CNC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000111635885 401718981 /nfs/dbraw/zinc/71/89/81/401718981.db2.gz DUMBKBHKWFOJTL-GFCCVEGCSA-N 0 3 320.393 2.090 20 5 DEBDHN O=[N+]([O-])c1ccccc1OCCN1CCC[C@H](C2OCCO2)C1 ZINC000076293537 401789260 /nfs/dbraw/zinc/78/92/60/401789260.db2.gz DUNJJKDJUFEONW-ZDUSSCGKSA-N 0 3 322.361 2.059 20 5 DEBDHN CO[C@@H]1CCCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000076348088 401792651 /nfs/dbraw/zinc/79/26/51/401792651.db2.gz VYQDOCXZZOXYTQ-CYBMUJFWSA-N 0 3 321.377 2.343 20 5 DEBDHN Cc1cc(C(=O)N(C)C[C@H]2CCCN(C)C2)cc([N+](=O)[O-])c1 ZINC000115433494 401828084 /nfs/dbraw/zinc/82/80/84/401828084.db2.gz PRXAOXPGFSFZEG-ZDUSSCGKSA-N 0 3 305.378 2.317 20 5 DEBDHN CC1CCN(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000131379083 401849014 /nfs/dbraw/zinc/84/90/14/401849014.db2.gz ZIRZPDSPNGGQNL-UHFFFAOYSA-N 0 3 323.368 2.125 20 5 DEBDHN CN(C)C[C@H]1CCCCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087297646 401929871 /nfs/dbraw/zinc/92/98/71/401929871.db2.gz CGPVSBSJGBQMEW-MRXNPFEDSA-N 0 3 319.405 2.470 20 5 DEBDHN CCOC(=O)N1CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC000037562532 401914987 /nfs/dbraw/zinc/91/49/87/401914987.db2.gz SRFIMTOPPMPMKY-UHFFFAOYSA-N 0 3 313.379 2.367 20 5 DEBDHN C[C@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)CN1C1CC1 ZINC000120559497 401994147 /nfs/dbraw/zinc/99/41/47/401994147.db2.gz QGCPCRYSZIEZDU-CMPLNLGQSA-N 0 3 321.352 2.018 20 5 DEBDHN CC1(C)Cc2cccc(CNCCn3cc([N+](=O)[O-])cn3)c2O1 ZINC000151247636 402026114 /nfs/dbraw/zinc/02/61/14/402026114.db2.gz INYUUQWFSBCSOZ-UHFFFAOYSA-N 0 3 316.361 2.295 20 5 DEBDHN CCOc1ccc(C(=O)N(CCN(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000151803098 402057551 /nfs/dbraw/zinc/05/75/51/402057551.db2.gz XLZMZHBCTFETFK-UHFFFAOYSA-N 0 3 323.393 2.406 20 5 DEBDHN COc1ccc(OCCN2CCC[C@@H](C)[C@H]2CO)c([N+](=O)[O-])c1 ZINC000122365014 402075242 /nfs/dbraw/zinc/07/52/42/402075242.db2.gz JOUPJAXDTGFFQC-IUODEOHRSA-N 0 3 324.377 2.075 20 5 DEBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000153005596 402121949 /nfs/dbraw/zinc/12/19/49/402121949.db2.gz PXCMOELMYHRTEC-CJNGLKHVSA-N 0 3 319.405 2.326 20 5 DEBDHN CCN1CCCC[C@@H]1CNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000122250693 402068980 /nfs/dbraw/zinc/06/89/80/402068980.db2.gz KJYKICSIUMDEGP-OAHLLOKOSA-N 0 3 319.405 2.436 20 5 DEBDHN Cc1c([C@@H](C)NC[C@@H](C)N2CCOCC2)cccc1[N+](=O)[O-] ZINC000123376273 402124503 /nfs/dbraw/zinc/12/45/03/402124503.db2.gz CPCRYMYXZDJIMA-TZMCWYRMSA-N 0 3 307.394 2.275 20 5 DEBDHN COC(=O)[C@@H](C)CN(C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000153933006 402181248 /nfs/dbraw/zinc/18/12/48/402181248.db2.gz QQCGILLPVFWFKK-VIFPVBQESA-N 0 3 300.742 2.489 20 5 DEBDHN CCN1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000153682366 402162568 /nfs/dbraw/zinc/16/25/68/402162568.db2.gz STXABGIOFDNXPM-UHFFFAOYSA-N 0 3 306.366 2.463 20 5 DEBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@H](Nc3ccccc3)C2)c1 ZINC000154849769 402236157 /nfs/dbraw/zinc/23/61/57/402236157.db2.gz RGZJNPIJLIQWOC-HNNXBMFYSA-N 0 3 315.377 2.368 20 5 DEBDHN C[C@@H](CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)N(C)C1CC1 ZINC000217818801 402293890 /nfs/dbraw/zinc/29/38/90/402293890.db2.gz OOUOBKDWPIIHDC-VIFPVBQESA-N 0 3 311.769 2.461 20 5 DEBDHN CCN(CCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000217798737 402293966 /nfs/dbraw/zinc/29/39/66/402293966.db2.gz PDEWVPDOFCBVDD-UHFFFAOYSA-N 0 3 311.769 2.462 20 5 DEBDHN CCOC(=O)c1cc(N(C)CCN(C)C2CC2)ccc1[N+](=O)[O-] ZINC000184786372 402299748 /nfs/dbraw/zinc/29/97/48/402299748.db2.gz RXMMUERXQZBCNK-UHFFFAOYSA-N 0 3 321.377 2.302 20 5 DEBDHN C[C@@H]1C[C@H](NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000177054005 402364205 /nfs/dbraw/zinc/36/42/05/402364205.db2.gz MKVZFLGFECSSIO-MZMNXDGSSA-N 0 3 315.373 2.349 20 5 DEBDHN CCN1CCCN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000159696428 402329120 /nfs/dbraw/zinc/32/91/20/402329120.db2.gz HIXQKQXHICIGPN-ZDUSSCGKSA-N 0 3 320.393 2.393 20 5 DEBDHN NC(=O)c1ccc(CN2C[C@@H]3CCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000177542871 402414520 /nfs/dbraw/zinc/41/45/20/402414520.db2.gz IPYYXTUNLJSDQN-BETUJISGSA-N 0 3 303.362 2.316 20 5 DEBDHN CC[C@@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)N(C)C ZINC000178423830 402497043 /nfs/dbraw/zinc/49/70/43/402497043.db2.gz GDJWTRZNWGMIOY-HNNXBMFYSA-N 0 3 307.394 2.374 20 5 DEBDHN CC[C@@H](C)[C@@H](N)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000178540005 402509185 /nfs/dbraw/zinc/50/91/85/402509185.db2.gz YIDZRJGZVHYCAX-IUODEOHRSA-N 0 3 307.394 2.407 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000247219530 402560104 /nfs/dbraw/zinc/56/01/04/402560104.db2.gz CNVXFVXNRMPHQO-DOMZBBRYSA-N 0 3 305.378 2.315 20 5 DEBDHN Cc1c(CN2CCC[C@H](CCC(N)=O)C2)cccc1[N+](=O)[O-] ZINC000170733168 402518066 /nfs/dbraw/zinc/51/80/66/402518066.db2.gz VUNVCKSSQXVEFS-CYBMUJFWSA-N 0 3 305.378 2.381 20 5 DEBDHN C[C@H](NCCNC(=O)c1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000178641947 402521011 /nfs/dbraw/zinc/52/10/11/402521011.db2.gz JGIKVTFCFTYNQN-NSHDSACASA-N 0 3 303.318 2.268 20 5 DEBDHN COc1cc(CNC[C@@](C)(O)C(C)C)c([N+](=O)[O-])cc1OC ZINC000171842856 402627680 /nfs/dbraw/zinc/62/76/80/402627680.db2.gz YMQCKFJVFDLZDK-OAHLLOKOSA-N 0 3 312.366 2.109 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000172606180 402665827 /nfs/dbraw/zinc/66/58/27/402665827.db2.gz FMOLJEYMQQWVIX-FZMZJTMJSA-N 0 3 321.377 2.016 20 5 DEBDHN CCN1CCC[C@H]1CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000255437042 402687561 /nfs/dbraw/zinc/68/75/61/402687561.db2.gz RYFIDNBRNPHUFS-CDNLZTBQSA-N 0 3 303.362 2.209 20 5 DEBDHN CCN1CCC[C@@H]1CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000255437044 402687877 /nfs/dbraw/zinc/68/78/77/402687877.db2.gz RYFIDNBRNPHUFS-WHLNPGIBSA-N 0 3 303.362 2.209 20 5 DEBDHN CCc1ccc(C(=O)NCCN2CCCCC2)cc1[N+](=O)[O-] ZINC000174095070 402726767 /nfs/dbraw/zinc/72/67/67/402726767.db2.gz YGCUQZKUPWPZDO-UHFFFAOYSA-N 0 3 305.378 2.373 20 5 DEBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN[C@@H](C)[C@H]1C ZINC000262776148 402731187 /nfs/dbraw/zinc/73/11/87/402731187.db2.gz KRJUBYKHPDOIGS-TUAOUCFPSA-N 0 3 323.418 2.284 20 5 DEBDHN CS(=O)(=O)c1ccc(N2CCc3cnccc32)c([N+](=O)[O-])c1 ZINC000175004515 402770985 /nfs/dbraw/zinc/77/09/85/402770985.db2.gz GQKDNDCPVJXPMJ-UHFFFAOYSA-N 0 3 319.342 2.088 20 5 DEBDHN O=[N+]([O-])c1cccc(N2CCN(C[C@@H]3CCSC3)CC2)c1 ZINC000278409493 402864746 /nfs/dbraw/zinc/86/47/46/402864746.db2.gz GYKUCBYKWMMMMF-ZDUSSCGKSA-N 0 3 307.419 2.470 20 5 DEBDHN CN1CC[C@H]2CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)[C@H]2C1 ZINC000278559131 402868020 /nfs/dbraw/zinc/86/80/20/402868020.db2.gz WKZJQDILQGWFAA-HZMBPMFUSA-N 0 3 301.350 2.002 20 5 DEBDHN COc1cc(C[NH2+]C[C@@H]2CCO[C@@H](C)C2)c([N+](=O)[O-])cc1[O-] ZINC000271516933 402878197 /nfs/dbraw/zinc/87/81/97/402878197.db2.gz PXLRHHHMNSZANC-WDEREUQCSA-N 0 3 310.350 2.214 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@H](O)C1CCOCC1)CCC2 ZINC000278854478 402878395 /nfs/dbraw/zinc/87/83/95/402878395.db2.gz VVXOAVPBSJFSSP-IRXDYDNUSA-N 0 3 320.389 2.349 20 5 DEBDHN CC(C)(CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C(N)=O ZINC000279136458 402908116 /nfs/dbraw/zinc/90/81/16/402908116.db2.gz RNJLBGRSGHLBGR-CYBMUJFWSA-N 0 3 305.378 2.418 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000272241864 402913772 /nfs/dbraw/zinc/91/37/72/402913772.db2.gz GQSGSNQGAZRJPG-SWLSCSKDSA-N 0 3 318.377 2.461 20 5 DEBDHN CC(C)(C)[C@H](O)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000265453952 402920369 /nfs/dbraw/zinc/92/03/69/402920369.db2.gz LJPFIZCJALRQQP-OAHLLOKOSA-N 0 3 307.394 2.124 20 5 DEBDHN Cc1ccc(C(=O)N2CC[C@H]3CCN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000272374877 402929554 /nfs/dbraw/zinc/92/95/54/402929554.db2.gz BGGYSFVKZZVUGX-IUODEOHRSA-N 0 3 303.362 2.069 20 5 DEBDHN O=[N+]([O-])c1ccc(Cl)c(CNC[C@]2(O)CCSC2)c1 ZINC000267034723 403010198 /nfs/dbraw/zinc/01/01/98/403010198.db2.gz LGGDXNHWAPPYCM-GFCCVEGCSA-N 0 3 302.783 2.206 20 5 DEBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273515316 403011264 /nfs/dbraw/zinc/01/12/64/403011264.db2.gz XQEFJQAWQUTLRM-LKFCYVNXSA-N 0 3 322.340 2.338 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC000267325361 403036674 /nfs/dbraw/zinc/03/66/74/403036674.db2.gz AVIXMJQBHCMZDA-AWEZNQCLSA-N 0 3 305.378 2.062 20 5 DEBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000274336934 403046025 /nfs/dbraw/zinc/04/60/25/403046025.db2.gz CCZDJFUEBUZWNE-ZANVPECISA-N 0 3 323.780 2.461 20 5 DEBDHN C[C@H]1CN(C2CC2)C[C@H]1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000268155175 403055528 /nfs/dbraw/zinc/05/55/28/403055528.db2.gz NIAMLBIORPQLQG-TVQRCGJNSA-N 0 3 306.322 2.398 20 5 DEBDHN CN(C)CC1(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCC1 ZINC000281166119 403059612 /nfs/dbraw/zinc/05/96/12/403059612.db2.gz XHTLTAHDMHUGJP-UHFFFAOYSA-N 0 3 311.769 2.462 20 5 DEBDHN Cc1cc(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000268265006 403068236 /nfs/dbraw/zinc/06/82/36/403068236.db2.gz TYYVEOZPGJAINY-ABAIWWIYSA-N 0 3 303.362 2.116 20 5 DEBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000268294011 403070688 /nfs/dbraw/zinc/07/06/88/403070688.db2.gz ZVNXOGNCXDUACE-LRDDRELGSA-N 0 3 317.389 2.126 20 5 DEBDHN COc1cc(NCCN2CCN(C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000281703244 403083565 /nfs/dbraw/zinc/08/35/65/403083565.db2.gz SZFNQISUVMHFAW-UHFFFAOYSA-N 0 3 322.409 2.041 20 5 DEBDHN C[C@H]1CN(CCCNc2cc(N)ccc2[N+](=O)[O-])CCCO1 ZINC000282372471 403147371 /nfs/dbraw/zinc/14/73/71/403147371.db2.gz YGADNGOQDDXECI-LBPRGKRZSA-N 0 3 308.382 2.090 20 5 DEBDHN CCOC[C@@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269700925 403158514 /nfs/dbraw/zinc/15/85/14/403158514.db2.gz YEKGXWFRIDVTRJ-CZUORRHYSA-N 0 3 308.378 2.377 20 5 DEBDHN CS[C@H]1CN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000270970188 403246512 /nfs/dbraw/zinc/24/65/12/403246512.db2.gz BQGSUOOKAJOBNK-KBPBESRZSA-N 0 3 323.418 2.021 20 5 DEBDHN Cc1c(CC(=O)N[C@H]2CCN(C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000331245116 403361282 /nfs/dbraw/zinc/36/12/82/403361282.db2.gz LTLXUYVCEXPTEJ-FZMZJTMJSA-N 0 3 305.378 2.045 20 5 DEBDHN CCC[C@@]1(NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000285522214 403317663 /nfs/dbraw/zinc/31/76/63/403317663.db2.gz KISONAUDMGEJMQ-MRXNPFEDSA-N 0 3 321.377 2.106 20 5 DEBDHN CN(C)CCN1CCC(Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000298436451 403382675 /nfs/dbraw/zinc/38/26/75/403382675.db2.gz AXVQOORYMKLGKK-UHFFFAOYSA-N 0 3 310.373 2.172 20 5 DEBDHN CC[C@@H](CNc1nc(C(=O)OC)ccc1[N+](=O)[O-])N1CCCC1 ZINC000286178924 403465899 /nfs/dbraw/zinc/46/58/99/403465899.db2.gz QACWVIGLXLVQJB-NSHDSACASA-N 0 3 322.365 2.063 20 5 DEBDHN C[C@H](NC[C@@H]1CCCS(=O)(=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000287041396 403552996 /nfs/dbraw/zinc/55/29/96/403552996.db2.gz MIBLFNZXIBXXDR-RYUDHWBXSA-N 0 3 312.391 2.070 20 5 DEBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CCCN(C)[C@@H]2C)c1 ZINC000343448908 403595329 /nfs/dbraw/zinc/59/53/29/403595329.db2.gz CVTJOQDGHXMENF-PWSUYJOCSA-N 0 3 307.350 2.276 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCO[C@@H]1c1nccn1C ZINC000343382941 403562016 /nfs/dbraw/zinc/56/20/16/403562016.db2.gz GLHXNOBNSVEPDN-CABCVRRESA-N 0 3 316.361 2.257 20 5 DEBDHN C[C@@H](CN(C)C)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000287294935 403569072 /nfs/dbraw/zinc/56/90/72/403569072.db2.gz UXJLRMCGQKSKEH-QMMMGPOBSA-N 0 3 319.283 2.294 20 5 DEBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)CN(C)C ZINC000346176820 403577085 /nfs/dbraw/zinc/57/70/85/403577085.db2.gz ZXIIPPQJZRLTKZ-OCCSQVGLSA-N 0 3 307.394 2.230 20 5 DEBDHN C[C@@H]1[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)CCCN1C ZINC000343527288 403623768 /nfs/dbraw/zinc/62/37/68/403623768.db2.gz VGUGLDNPCZXNBM-DOMZBBRYSA-N 0 3 305.378 2.126 20 5 DEBDHN CN1CCC(C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000294071365 403639658 /nfs/dbraw/zinc/63/96/58/403639658.db2.gz KTORDGIEOKLDOU-UHFFFAOYSA-N 0 3 305.378 2.288 20 5 DEBDHN CCCN1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000343586432 403652003 /nfs/dbraw/zinc/65/20/03/403652003.db2.gz DITNNOZBGYXXMI-CYBMUJFWSA-N 0 3 321.377 2.208 20 5 DEBDHN CN1CCC[C@]2(CCN(C(=O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000294122262 403653136 /nfs/dbraw/zinc/65/31/36/403653136.db2.gz LVTIQJBSKKVCIR-INIZCTEOSA-N 0 3 303.362 2.153 20 5 DEBDHN C[C@H]1CN(C)CC[C@H]1N(C)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000287815960 403671962 /nfs/dbraw/zinc/67/19/62/403671962.db2.gz KOESBBOHRLFSRP-GXSJLCMTSA-N 0 3 321.406 2.376 20 5 DEBDHN C[C@@H](Nc1c([N+](=O)[O-])ncn1C)[C@H](c1ccccc1)N(C)C ZINC000287838053 403675981 /nfs/dbraw/zinc/67/59/81/403675981.db2.gz RGIJONNCRRYKHH-DGCLKSJQSA-N 0 3 303.366 2.432 20 5 DEBDHN C[C@@H]1[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CCCN1C ZINC000343581389 403649520 /nfs/dbraw/zinc/64/95/20/403649520.db2.gz ZCOOLMPNNRVHMF-IUODEOHRSA-N 0 3 319.405 2.471 20 5 DEBDHN COc1c(C(=O)NCCN2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000354595353 403895266 /nfs/dbraw/zinc/89/52/66/403895266.db2.gz LFBUBMWGFDSNKA-GFCCVEGCSA-N 0 3 321.377 2.065 20 5 DEBDHN CO[C@@H]1CCCC[C@H]1NCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000361747718 403840768 /nfs/dbraw/zinc/84/07/68/403840768.db2.gz CYOZDEKGJCSORS-UKRRQHHQSA-N 0 3 321.377 2.389 20 5 DEBDHN CN(C[C@@H](O)CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CC1 ZINC000289439448 403964192 /nfs/dbraw/zinc/96/41/92/403964192.db2.gz YUEKMKBAKIFYQN-QGZVFWFLSA-N 0 3 319.405 2.014 20 5 DEBDHN COc1ccc(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000344186031 403964581 /nfs/dbraw/zinc/96/45/81/403964581.db2.gz DMGIGNNEZRCMCS-RYUDHWBXSA-N 0 3 321.377 2.092 20 5 DEBDHN O=[N+]([O-])c1ccccc1CN[C@H]1CCOC2(CCOCC2)C1 ZINC000336854705 403928111 /nfs/dbraw/zinc/92/81/11/403928111.db2.gz QSXDKYIPPOLBTN-AWEZNQCLSA-N 0 3 306.362 2.413 20 5 DEBDHN CNc1c(C(=O)N(C)CC2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000336873198 403946181 /nfs/dbraw/zinc/94/61/81/403946181.db2.gz ROCYWGDUULMLMF-UHFFFAOYSA-N 0 3 320.393 2.050 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCO[C@H](CN(C)C)C1 ZINC000182760782 292296711 /nfs/dbraw/zinc/29/67/11/292296711.db2.gz RKOYTSNJAYONDK-DZGCQCFKSA-N 0 3 307.394 2.227 20 5 DEBDHN C[C@H]1[C@@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CCCN1C ZINC000344235434 403997467 /nfs/dbraw/zinc/99/74/67/403997467.db2.gz LFEQYJMWFRRWOT-JSGCOSHPSA-N 0 3 320.393 2.219 20 5 DEBDHN CC[C@H](C)N1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000295943195 404021421 /nfs/dbraw/zinc/02/14/21/404021421.db2.gz GOUDUEAXHAWQAY-AWEZNQCLSA-N 0 3 307.394 2.390 20 5 DEBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](N2CCOCC2)[C@@H]1C ZINC000351940091 404021858 /nfs/dbraw/zinc/02/18/58/404021858.db2.gz ZFRUNFFNFCGLLY-KEYYUXOJSA-N 0 3 319.405 2.451 20 5 DEBDHN C[C@H](C(=O)N[C@H]1CCCN(C)[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000347958706 403977804 /nfs/dbraw/zinc/97/78/04/403977804.db2.gz OOQKZZKJFPYOSY-RWSFTLGLSA-N 0 3 323.368 2.436 20 5 DEBDHN C[C@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1C ZINC000351960745 404036397 /nfs/dbraw/zinc/03/63/97/404036397.db2.gz WBVQHIQUJMLMDT-KBPBESRZSA-N 0 3 307.394 2.388 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](CO)[C@@H]1CCCOC1 ZINC000411992562 404050148 /nfs/dbraw/zinc/05/01/48/404050148.db2.gz WYPOFUDPEZEDSS-WOSRLPQWSA-N 0 3 308.378 2.341 20 5 DEBDHN CO[C@@H]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000296014427 404053104 /nfs/dbraw/zinc/05/31/04/404053104.db2.gz MTGMPRMIFCGTBE-HUUCEWRRSA-N 0 3 308.378 2.375 20 5 DEBDHN C[C@H](NC(=O)N1CCN(C)CC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000341912016 404251456 /nfs/dbraw/zinc/25/14/56/404251456.db2.gz AGSPSAIRHIZIBI-OLZOCXBDSA-N 0 3 320.393 2.391 20 5 DEBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000344696341 404313072 /nfs/dbraw/zinc/31/30/72/404313072.db2.gz TXXAOVGDZUYTOH-CQSZACIVSA-N 0 3 305.378 2.445 20 5 DEBDHN CN(C)CCN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C1CC1 ZINC000356285119 404424317 /nfs/dbraw/zinc/42/43/17/404424317.db2.gz VFBPDNNXNIXTEH-UHFFFAOYSA-N 0 3 316.361 2.242 20 5 DEBDHN CCN1CCN([C@@H](C)CNc2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000338646520 404458220 /nfs/dbraw/zinc/45/82/20/404458220.db2.gz GYNDXGCEJRURMC-ZDUSSCGKSA-N 0 3 322.409 2.041 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CSC[C@@H]1C ZINC000352813818 404642467 /nfs/dbraw/zinc/64/24/67/404642467.db2.gz CTJZZMYXISYWJL-GWCFXTLKSA-N 0 3 309.391 2.183 20 5 DEBDHN Cc1nc(CCN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cs1 ZINC000365513275 404680399 /nfs/dbraw/zinc/68/03/99/404680399.db2.gz OYZITNWJXIXJGB-UHFFFAOYSA-N 0 3 321.406 2.436 20 5 DEBDHN CN(C)CCOC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000353515800 404854737 /nfs/dbraw/zinc/85/47/37/404854737.db2.gz FQILNRVKGFBDJS-UHFFFAOYSA-N 0 3 307.394 2.137 20 5 DEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000415733083 404926101 /nfs/dbraw/zinc/92/61/01/404926101.db2.gz AQLKGGQBXNEOBT-GHMZBOCLSA-N 0 3 306.366 2.371 20 5 DEBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)N(C)C ZINC000361120871 404929955 /nfs/dbraw/zinc/92/99/55/404929955.db2.gz DRBNTJXOAOLHFB-TZMCWYRMSA-N 0 3 307.394 2.230 20 5 DEBDHN COC(=O)COc1ccc(CN[C@@H]2C=CCCC2)cc1[N+](=O)[O-] ZINC000353737930 404949129 /nfs/dbraw/zinc/94/91/29/404949129.db2.gz MLMHHGVCJCCKRS-CYBMUJFWSA-N 0 3 320.345 2.345 20 5 DEBDHN Cc1ccc(C(=O)Nc2cnc3c(c2)CNCC3)cc1[N+](=O)[O-] ZINC000378393231 404952183 /nfs/dbraw/zinc/95/21/83/404952183.db2.gz HCSILDQTQXYNKN-UHFFFAOYSA-N 0 3 312.329 2.196 20 5 DEBDHN CN(C(=O)c1cccc([N+](=O)[O-])c1N)C(C)(C)CN1CCCC1 ZINC000416331589 405107962 /nfs/dbraw/zinc/10/79/62/405107962.db2.gz COMQLCOOIQROAR-UHFFFAOYSA-N 0 3 320.393 2.123 20 5 DEBDHN O=[N+]([O-])c1cccc(N2CCN(CC[C@H]3CCOC3)CC2)c1 ZINC000437594323 405209270 /nfs/dbraw/zinc/20/92/70/405209270.db2.gz WBUXWDUYEYBLGQ-AWEZNQCLSA-N 0 3 305.378 2.143 20 5 DEBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H](N2CCCCC2)C1 ZINC000408327544 405174563 /nfs/dbraw/zinc/17/45/63/405174563.db2.gz BWTHPUQVCNFRLU-ZDUSSCGKSA-N 0 3 307.398 2.184 20 5 DEBDHN CCC[C@H](O)[C@H](CO)NCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000419835713 405268989 /nfs/dbraw/zinc/26/89/89/405268989.db2.gz YRMPPOBUMSSTMB-HOCLYGCPSA-N 0 3 310.394 2.330 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)Cc1cnccn1 ZINC000453112064 405284355 /nfs/dbraw/zinc/28/43/55/405284355.db2.gz SQICZQRIUDODCW-LLVKDONJSA-N 0 3 302.334 2.114 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425063722 405241142 /nfs/dbraw/zinc/24/11/42/405241142.db2.gz GCPXXQJTBMZNBI-XJKSGUPXSA-N 0 3 317.389 2.378 20 5 DEBDHN Cc1cc(N2CCNC[C@H]2C)c(Br)cc1[N+](=O)[O-] ZINC000420219307 405296164 /nfs/dbraw/zinc/29/61/64/405296164.db2.gz QESVSANTFSZHNR-SECBINFHSA-N 0 3 314.183 2.464 20 5 DEBDHN C[C@H](NC(=O)N(C)C[C@@H]1CCCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000420843984 405394249 /nfs/dbraw/zinc/39/42/49/405394249.db2.gz MYQTVUXYXFZKCA-WFASDCNBSA-N 0 3 320.393 2.391 20 5 DEBDHN Cc1c(CNC(=O)N(C)C[C@@H]2CCCN2C)cccc1[N+](=O)[O-] ZINC000420848667 405395327 /nfs/dbraw/zinc/39/53/27/405395327.db2.gz XTOWANALBDDBLF-AWEZNQCLSA-N 0 3 320.393 2.139 20 5 DEBDHN COC1(CO)CCN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000447071177 405401144 /nfs/dbraw/zinc/40/11/44/405401144.db2.gz WJWBWPMLMJUNME-GXDHUFHOSA-N 0 3 320.389 2.471 20 5 DEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000455459252 405412616 /nfs/dbraw/zinc/41/26/16/405412616.db2.gz GGZKFVBWSVJOIH-SWLSCSKDSA-N 0 3 318.377 2.325 20 5 DEBDHN CO[C@]1(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCOC1 ZINC000447594738 405418251 /nfs/dbraw/zinc/41/82/51/405418251.db2.gz IASCVRBERSHQIR-HOTGVXAUSA-N 0 3 306.362 2.367 20 5 DEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCCC2(CCCC2)C1 ZINC000445873435 405359927 /nfs/dbraw/zinc/35/99/27/405359927.db2.gz FBSOLMFYFJVLKT-UHFFFAOYSA-N 0 3 305.378 2.413 20 5 DEBDHN CC[C@H]1CCCCN1CCNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420607379 405360835 /nfs/dbraw/zinc/36/08/35/405360835.db2.gz YZSBKTVFHILRCC-LBPRGKRZSA-N 0 3 320.393 2.370 20 5 DEBDHN CC(C)[C@H](CC(F)(F)F)NCCn1cc([N+](=O)[O-])ccc1=O ZINC000445902924 405362016 /nfs/dbraw/zinc/36/20/16/405362016.db2.gz HQIWXCADXGHVFF-NSHDSACASA-N 0 3 321.299 2.323 20 5 DEBDHN CC1(C)CN(CCCOc2ccc([N+](=O)[O-])cc2)CC[C@H]1O ZINC000446078238 405371151 /nfs/dbraw/zinc/37/11/51/405371151.db2.gz FJMTYLWTMZWDEE-OAHLLOKOSA-N 0 3 308.378 2.457 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C[C@@H]1CCCN1C ZINC000421024606 405433352 /nfs/dbraw/zinc/43/33/52/405433352.db2.gz CJKCZIJLERCAIS-LBPRGKRZSA-N 0 3 322.365 2.161 20 5 DEBDHN CCCN1C[C@H](CNCc2ccc([N+](=O)[O-])cc2F)CC1=O ZINC000421348205 405466466 /nfs/dbraw/zinc/46/64/66/405466466.db2.gz GUEPFWHHQSRTMW-NSHDSACASA-N 0 3 309.341 2.082 20 5 DEBDHN CN(C)Cc1ccccc1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000556664224 405498879 /nfs/dbraw/zinc/49/88/79/405498879.db2.gz PIUFFCOVLFUYOV-UHFFFAOYSA-N 0 3 302.334 2.247 20 5 DEBDHN C[C@@H](C(=O)N1CC[C@]2(CCN(C)C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000558034441 405640131 /nfs/dbraw/zinc/64/01/31/405640131.db2.gz YEBGYIMQYZTBOD-DYVFJYSZSA-N 0 3 317.389 2.253 20 5 DEBDHN CC(C)(CN1CCCC1)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000457050168 405669221 /nfs/dbraw/zinc/66/92/21/405669221.db2.gz KPKWDAGDJNZPSF-UHFFFAOYSA-N 0 3 309.341 2.338 20 5 DEBDHN C[C@H](N[C@@]1(C)CCO[C@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000494258159 405670198 /nfs/dbraw/zinc/67/01/98/405670198.db2.gz XYIFZKICQWJTAF-PGUXBMHVSA-N 0 3 307.350 2.079 20 5 DEBDHN CCOC(=O)N1CC[C@H](NC/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000495388515 405887711 /nfs/dbraw/zinc/88/77/11/405887711.db2.gz VDBSEPDGZHVIIA-VSKVDJIOSA-N 0 3 319.361 2.428 20 5 DEBDHN CCN(CCN1CCCCCC1)c1ncc([N+](=O)[O-])c(C)n1 ZINC000450534257 405945053 /nfs/dbraw/zinc/94/50/53/405945053.db2.gz DALWJZCEVJYSLK-UHFFFAOYSA-N 0 3 307.398 2.396 20 5 DEBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](CN2CCOC2=O)C1 ZINC000496343143 405963512 /nfs/dbraw/zinc/96/35/12/405963512.db2.gz LJLAUYAKINEEFI-OLZOCXBDSA-N 0 3 319.361 2.430 20 5 DEBDHN CC1(C)CC[C@@H]1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000516875500 406110426 /nfs/dbraw/zinc/11/04/26/406110426.db2.gz AKIWCLNTKLTTMJ-AWEZNQCLSA-N 0 3 303.362 2.262 20 5 DEBDHN Cc1nc(N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000488729953 406341173 /nfs/dbraw/zinc/34/11/73/406341173.db2.gz GXECKQAKUQBGMW-YWPYICTPSA-N 0 3 304.394 2.465 20 5 DEBDHN CCc1nn(C)c(N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000488755661 406345110 /nfs/dbraw/zinc/34/51/10/406345110.db2.gz TUHQNGJHQPARSB-OUCADQQQSA-N 0 3 321.425 2.057 20 5 DEBDHN Cc1csc(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000520568700 406301069 /nfs/dbraw/zinc/30/10/69/406301069.db2.gz CSNMEOUNWIOXKN-ZDUSSCGKSA-N 0 3 322.386 2.494 20 5 DEBDHN Cc1csc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000520568699 406301172 /nfs/dbraw/zinc/30/11/72/406301172.db2.gz CSNMEOUNWIOXKN-CYBMUJFWSA-N 0 3 322.386 2.494 20 5 DEBDHN O=[N+]([O-])c1ccn(C2CCN(CCCc3ccncc3)CC2)n1 ZINC000489017736 406370117 /nfs/dbraw/zinc/37/01/17/406370117.db2.gz UBYUYVMFOQSASV-UHFFFAOYSA-N 0 3 315.377 2.456 20 5 DEBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NCCN2CC[C@@H](C)C2)c1 ZINC000525291440 406482392 /nfs/dbraw/zinc/48/23/92/406482392.db2.gz GXJIXBVIBZAAJO-LLVKDONJSA-N 0 3 323.418 2.388 20 5 DEBDHN CS[C@H]1CN(c2ncccc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000548120543 406483807 /nfs/dbraw/zinc/48/38/07/406483807.db2.gz MIEQSTJTZWUZHM-STQMWFEESA-N 0 3 308.407 2.006 20 5 DEBDHN CCN1CCCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000491751449 406701747 /nfs/dbraw/zinc/70/17/47/406701747.db2.gz SLXKQTACBWDBLC-ALCCZGGFSA-N 0 3 321.352 2.301 20 5 DEBDHN C[C@@H]1C[C@@H](NC(=O)/C=C\c2ccccc2[N+](=O)[O-])CCN1C ZINC000491915895 406776858 /nfs/dbraw/zinc/77/68/58/406776858.db2.gz QHBHXMUFDSQVHV-QJPJPVNKSA-N 0 3 303.362 2.207 20 5 DEBDHN C[C@@H]1C[C@@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000491942396 406784687 /nfs/dbraw/zinc/78/46/87/406784687.db2.gz VFKDFRCPQKLJMM-MZMNXDGSSA-N 0 3 303.362 2.207 20 5 DEBDHN CCN(CCOc1ccc(OC)cc1[N+](=O)[O-])C[C@@H](C)OC ZINC000291163356 222185058 /nfs/dbraw/zinc/18/50/58/222185058.db2.gz FZPOWUXMENFORZ-GFCCVEGCSA-N 0 3 312.366 2.339 20 5 DEBDHN C[C@H](N[C@@H]1CSC[C@@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000507271887 269316107 /nfs/dbraw/zinc/31/61/07/269316107.db2.gz IXPXBRXKBSQWCA-OUJBWJOFSA-N 0 3 309.391 2.263 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@H](O)[C@H]1CCOC1)CCCC2 ZINC000417314669 275038260 /nfs/dbraw/zinc/03/82/60/275038260.db2.gz ZNYHWPIGZOANST-XKQJLSEDSA-N 0 3 320.389 2.349 20 5 DEBDHN CN1CCC2(CCCN2C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000371360713 277038025 /nfs/dbraw/zinc/03/80/25/277038025.db2.gz JBEAYKRJGLNJRZ-UHFFFAOYSA-N 0 3 303.362 2.295 20 5 DEBDHN C[C@H](N[C@H]1CC(=O)N2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000337884220 290039199 /nfs/dbraw/zinc/03/91/99/290039199.db2.gz WRRRQBWHYOHHPO-TUKIKUTGSA-N 0 3 303.362 2.399 20 5 DEBDHN COc1cc(CNC[C@@]2(O)CCC[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000292981002 533883057 /nfs/dbraw/zinc/88/30/57/533883057.db2.gz LGSTUZJDLZAPGI-BZNIZROVSA-N 0 3 324.377 2.253 20 5 DEBDHN CCCNC(=O)CN[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000158288316 519880732 /nfs/dbraw/zinc/88/07/32/519880732.db2.gz OBBXHSMSCAHMRR-CQSZACIVSA-N 0 3 305.378 2.032 20 5 DEBDHN C[C@@H]1CCCN1C(=O)CCN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000338362143 524250865 /nfs/dbraw/zinc/25/08/65/524250865.db2.gz UCPVCDPEXVXUED-CQSZACIVSA-N 0 3 319.405 2.470 20 5 DEBDHN CCO[C@@H]1C[C@H](NCc2c([N+](=O)[O-])ncn2C)C1(CC)CC ZINC000429345805 527943077 /nfs/dbraw/zinc/94/30/77/527943077.db2.gz RBGWXZMAQNKNQY-QWHCGFSZSA-N 0 3 310.398 2.402 20 5 DEBDHN CC(C)[C@]1(CO)CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000292985042 527991612 /nfs/dbraw/zinc/99/16/12/527991612.db2.gz HQUPKCNLKFYBRA-DLBZAZTESA-N 0 3 322.405 2.359 20 5 DEBDHN COc1ccc(OC(=O)C23CCCN(CCC2)C3)c([N+](=O)[O-])c1 ZINC000892516336 625078563 /nfs/dbraw/zinc/07/85/63/625078563.db2.gz WXTOYYHTJUCGPX-UHFFFAOYSA-N 0 3 320.345 2.385 20 5 DEBDHN O=[N+]([O-])c1ccc(N2CCN(CCCCCCCO)CC2)cn1 ZINC000743839542 625145561 /nfs/dbraw/zinc/14/55/61/625145561.db2.gz JUQPBPDAPYJBED-UHFFFAOYSA-N 0 3 322.409 2.055 20 5 DEBDHN COc1c(O)ccc(CNC[C@@H]2CCC(C)(C)O2)c1[N+](=O)[O-] ZINC000893715840 635991854 /nfs/dbraw/zinc/99/18/54/635991854.db2.gz AOBDKVAYSCKMHG-NSHDSACASA-N 0 3 310.350 2.356 20 5 DEBDHN O=[N+]([O-])c1ccc(CNC2(CO)CCSCC2)cc1F ZINC000839178591 637811893 /nfs/dbraw/zinc/81/18/93/637811893.db2.gz DTJCJYLHRXEMPN-UHFFFAOYSA-N 0 3 300.355 2.082 20 5 DEBDHN C[C@@H]1CCCN1CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000744345890 638211933 /nfs/dbraw/zinc/21/19/33/638211933.db2.gz TYIFNMDTBFFEMN-SNVBAGLBSA-N 0 3 311.769 2.462 20 5 DEBDHN CCc1ccc(C(=O)NCCN2CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000746711187 638371925 /nfs/dbraw/zinc/37/19/25/638371925.db2.gz CBWRSCCFFVROLT-GFCCVEGCSA-N 0 3 305.378 2.371 20 5 DEBDHN O=[N+]([O-])c1cccc([C@@H](O)CNCc2ccc(Cl)nc2)c1 ZINC000749673373 638669386 /nfs/dbraw/zinc/66/93/86/638669386.db2.gz DXFVWBYPZNBXJI-ZDUSSCGKSA-N 0 3 307.737 2.466 20 5 DEBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@H](n3ccnc3)C2)c1 ZINC000749682441 638670234 /nfs/dbraw/zinc/67/02/34/638670234.db2.gz IUZIREBRBXFALJ-HOTGVXAUSA-N 0 3 316.361 2.162 20 5 DEBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@H](n3ccnc3)C2)c1 ZINC000749682443 638670632 /nfs/dbraw/zinc/67/06/32/638670632.db2.gz IUZIREBRBXFALJ-JKSUJKDBSA-N 0 3 316.361 2.162 20 5 DEBDHN O=[N+]([O-])c1cccc([C@H](O)CNCc2cccc3c2OCO3)c1 ZINC000749687232 638671629 /nfs/dbraw/zinc/67/16/29/638671629.db2.gz IMFNGFPRNTUFSB-CQSZACIVSA-N 0 3 316.313 2.147 20 5 DEBDHN O=[N+]([O-])c1ccc2cnn(CN3CC[C@H]([C@@H]4CCOC4)C3)c2c1 ZINC000749800256 638682623 /nfs/dbraw/zinc/68/26/23/638682623.db2.gz RAOFNHSSXNATCH-UONOGXRCSA-N 0 3 316.361 2.260 20 5 DEBDHN O=[N+]([O-])c1ccc2c(cnn2CN2CC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000749800622 638683094 /nfs/dbraw/zinc/68/30/94/638683094.db2.gz RZLOJBWECFRSGY-QWHCGFSZSA-N 0 3 316.361 2.260 20 5 DEBDHN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000755148939 639522993 /nfs/dbraw/zinc/52/29/93/639522993.db2.gz RRUZZMRQPOUPDF-HCYCVZQXSA-N 0 3 315.373 2.351 20 5 DEBDHN CNc1ccc(C(=O)OCCN2CCCCC2)cc1[N+](=O)[O-] ZINC000757651786 639864778 /nfs/dbraw/zinc/86/47/78/639864778.db2.gz KQCSPASXIOVWFI-UHFFFAOYSA-N 0 3 307.350 2.279 20 5 DEBDHN CCN1C[C@H](C)N(c2nc3ccccn3c2[N+](=O)[O-])C[C@@H]1C ZINC000765633016 640803421 /nfs/dbraw/zinc/80/34/21/640803421.db2.gz GRPWFDHROHBFOR-RYUDHWBXSA-N 0 3 303.366 2.161 20 5 DEBDHN Cn1ncc2c1CCC[C@@H]2NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765847377 640823570 /nfs/dbraw/zinc/82/35/70/640823570.db2.gz BLPFTSGNUGQNPP-GOEBONIOSA-N 0 3 316.361 2.029 20 5 DEBDHN Cn1cc([C@]2(CNCc3cccc([N+](=O)[O-])c3)CCCO2)cn1 ZINC000898060552 641013154 /nfs/dbraw/zinc/01/31/54/641013154.db2.gz DVCDOHPEXLUSLG-MRXNPFEDSA-N 0 3 316.361 2.124 20 5 DEBDHN Cn1cc([C@]2(CNCc3ccccc3[N+](=O)[O-])CCCO2)cn1 ZINC000898062449 641013959 /nfs/dbraw/zinc/01/39/59/641013959.db2.gz UQZSCHGQTNTOKL-MRXNPFEDSA-N 0 3 316.361 2.124 20 5 DEBDHN CN1CCC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000769996509 641318636 /nfs/dbraw/zinc/31/86/36/641318636.db2.gz DAFZKSULTBQTGQ-SNVBAGLBSA-N 0 3 312.757 2.464 20 5 DEBDHN C[C@@H](NC(=S)NC1CCN(C)CC1)c1ccccc1[N+](=O)[O-] ZINC000774583826 641924915 /nfs/dbraw/zinc/92/49/15/641924915.db2.gz WQOWLXYLICXBBM-LLVKDONJSA-N 0 3 322.434 2.214 20 5 DEBDHN CN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](CO)c1ccccc1 ZINC000776582937 642188240 /nfs/dbraw/zinc/18/82/40/642188240.db2.gz WVHPPMPZBWOFSB-SJORKVTESA-N 0 3 316.357 2.294 20 5 DEBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC([C@H]3CCOC3)CC2)cc1 ZINC000784343803 643127752 /nfs/dbraw/zinc/12/77/52/643127752.db2.gz PETBYTWZBRMULR-RDJZCZTQSA-N 0 3 320.389 2.377 20 5 DEBDHN COc1cc([C@@H](C)NCCOC[C@@H]2CCOC2)cc([N+](=O)[O-])c1 ZINC000903092472 643253034 /nfs/dbraw/zinc/25/30/34/643253034.db2.gz KBJIBCXAWLBWAK-CHWSQXEVSA-N 0 3 324.377 2.307 20 5 DEBDHN COc1cc([C@H](C)NCCO[C@@H]2CCOC2)cc([N+](=O)[O-])c1 ZINC000903225637 643288170 /nfs/dbraw/zinc/28/81/70/643288170.db2.gz HUWIHJUSYJGSIS-SMDDNHRTSA-N 0 3 310.350 2.060 20 5 DEBDHN C[C@H]1NCCn2c(-c3nc(CCC(C)(C)[N+](=O)[O-])no3)ccc21 ZINC000904721835 643718591 /nfs/dbraw/zinc/71/85/91/643718591.db2.gz NIOVUBXRXGCGMR-SNVBAGLBSA-N 0 3 319.365 2.190 20 5 DEBDHN CCN1CCCN(C(=O)c2c(F)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000910268601 645378938 /nfs/dbraw/zinc/37/89/38/645378938.db2.gz ZYUCSWGNJXLPLV-NSHDSACASA-N 0 3 309.341 2.290 20 5 DEBDHN CCN1CCCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)[C@H](C)C1 ZINC000910282722 645388363 /nfs/dbraw/zinc/38/83/63/645388363.db2.gz GTWCZIUENWJZAK-GFCCVEGCSA-N 0 3 320.393 2.042 20 5 DEBDHN O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CC[C@H](N2CCCC2)C1 ZINC000804425144 645768461 /nfs/dbraw/zinc/76/84/61/645768461.db2.gz SNRKGCQLQMCIAA-NSHDSACASA-N 0 3 306.322 2.178 20 5 DEBDHN CC(COC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[N+](=O)[O-] ZINC000813100943 646727732 /nfs/dbraw/zinc/72/77/32/646727732.db2.gz YTTOSGGSYNODNA-ZCFIWIBFSA-N 0 3 322.195 2.436 20 5 DEBDHN CC(COC(=O)c1cccc(Nc2ncccn2)c1)[N+](=O)[O-] ZINC000813102132 646728794 /nfs/dbraw/zinc/72/87/94/646728794.db2.gz BTDZAUXSZPCPSY-JTQLQIEISA-N 0 3 302.290 2.042 20 5 DEBDHN Cc1nc2c(cnn2C(C)C)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813101507 646729013 /nfs/dbraw/zinc/72/90/13/646729013.db2.gz CBLNCZCGMCQIFC-VIFPVBQESA-N 0 3 306.322 2.143 20 5 DEBDHN Cc1oc(-c2ccccc2)nc1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813107015 646729464 /nfs/dbraw/zinc/72/94/64/646729464.db2.gz KEYDMSCMKSSPIH-JTQLQIEISA-N 0 3 304.302 2.401 20 5 DEBDHN CC(COC(=O)CCC(=O)c1ccc2c(c1)CCC2)[N+](=O)[O-] ZINC000813113509 646732871 /nfs/dbraw/zinc/73/28/71/646732871.db2.gz FAVMRAURLZKTKM-NSHDSACASA-N 0 3 305.330 2.347 20 5 DEBDHN CSc1ccc([N+](=O)[O-])c(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813114634 646733020 /nfs/dbraw/zinc/73/30/20/646733020.db2.gz DTJCYDAWYLVDTA-ZETCQYMHSA-N 0 3 300.292 2.139 20 5 DEBDHN CC(COC(=O)Cc1cccc(OC(F)(F)F)c1)[N+](=O)[O-] ZINC000813114157 646733362 /nfs/dbraw/zinc/73/33/62/646733362.db2.gz ZHYUDMVNIIAMLC-MRVPVSSYSA-N 0 3 307.224 2.336 20 5 DEBDHN CC(C)[C@H]1CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000815313149 647001039 /nfs/dbraw/zinc/00/10/39/647001039.db2.gz WPVBCJAUSQJGBE-JKSUJKDBSA-N 0 3 308.378 2.375 20 5 DEBDHN CN1C[C@H]2CCN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])[C@H]2C1 ZINC000816952960 647204852 /nfs/dbraw/zinc/20/48/52/647204852.db2.gz WLBADUKZJDQVGI-SKDRFNHKSA-N 0 3 309.753 2.024 20 5 DEBDHN C[C@H](NC(=O)N[C@H]1CCN(C)[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000914239713 647232144 /nfs/dbraw/zinc/23/21/44/647232144.db2.gz MYFZOZFDASKITQ-MJVIPROJSA-N 0 3 306.366 2.048 20 5 DEBDHN O=[N+]([O-])c1ccc([C@@H](O)CNCc2cnn3ccccc23)cc1 ZINC000731679163 647501526 /nfs/dbraw/zinc/50/15/26/647501526.db2.gz YQXFMCYSRDMXPT-INIZCTEOSA-N 0 3 312.329 2.066 20 5 DEBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000820273417 647816133 /nfs/dbraw/zinc/81/61/33/647816133.db2.gz UJTUVKFQEXMANP-MFKMUULPSA-N 0 3 321.402 2.093 20 5 DEBDHN CC[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C[C@H](C)N1 ZINC000826678560 648904417 /nfs/dbraw/zinc/90/44/17/648904417.db2.gz AULQYQVWXZDETB-YOENINGUSA-N 0 3 317.389 2.297 20 5 DEBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCSC[C@H]2C2CC2)cc1 ZINC000831778981 649641933 /nfs/dbraw/zinc/64/19/33/649641933.db2.gz ZLTWHPCFBLLKDX-LSDHHAIUSA-N 0 3 308.403 2.456 20 5 DEBDHN CC(C)N1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000832295746 649693549 /nfs/dbraw/zinc/69/35/49/649693549.db2.gz HBXNEZJLRSDJSJ-NSHDSACASA-N 0 3 309.341 2.337 20 5 DEBDHN Cc1nc(COC(C)(C)C)oc1C(=O)OCC(C)[N+](=O)[O-] ZINC000845577561 651256345 /nfs/dbraw/zinc/25/63/45/651256345.db2.gz WLHPVENFSAOPNH-QMMMGPOBSA-N 0 3 300.311 2.120 20 5 DEBDHN Cc1c(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cnn1C ZINC000845872597 651291325 /nfs/dbraw/zinc/29/13/25/651291325.db2.gz KDRSCIIEXHGVMO-IINYFYTJSA-N 0 3 321.308 2.431 20 5 DEBDHN CC(COC(=O)[C@@H](c1ccc(Cl)cc1)N(C)C)[N+](=O)[O-] ZINC000847713744 651412581 /nfs/dbraw/zinc/41/25/81/651412581.db2.gz AHOPZJFNESMTAF-JOYOIKCWSA-N 0 3 300.742 2.151 20 5 DEBDHN C[C@@H](COC(=O)c1ccc(N)c([N+](=O)[O-])c1)N1CCCCC1 ZINC000847959831 651429697 /nfs/dbraw/zinc/42/96/97/651429697.db2.gz VMVMULRCMCGCCP-NSHDSACASA-N 0 3 307.350 2.208 20 5 DEBDHN CCN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C)C1 ZINC000855364221 651684140 /nfs/dbraw/zinc/68/41/40/651684140.db2.gz ZJRDOTKDRLKIAH-AJHXJQRKSA-N 0 3 303.362 2.161 20 5 DEBDHN CC(COC(=O)Cc1ccc(Br)cc1F)[N+](=O)[O-] ZINC000851036492 652050603 /nfs/dbraw/zinc/05/06/03/652050603.db2.gz JEFOJCPDDUMBHW-SSDOTTSWSA-N 0 3 320.114 2.339 20 5 DEBDHN O=C1CC[C@H](CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)O1 ZINC000852134868 652349423 /nfs/dbraw/zinc/34/94/23/652349423.db2.gz IOZZGLQJSHCXIH-UKRRQHHQSA-N 0 3 304.346 2.480 20 5 DEBDHN C[C@H]1[C@@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCN1C ZINC000928428505 693776590 /nfs/dbraw/zinc/77/65/90/693776590.db2.gz XNSMGBOLFDYZRN-WFASDCNBSA-N 0 3 317.389 2.225 20 5 DEBDHN CO[C@H]1CN(C)[C@](C)(COC(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000861338844 686046598 /nfs/dbraw/zinc/04/65/98/686046598.db2.gz GMTUUXDTZSHUEA-CJNGLKHVSA-N 0 3 322.361 2.169 20 5 DEBDHN CC(C)(NC[C@@H](O)CCC1(O)CCC1)c1ccccc1[N+](=O)[O-] ZINC000930555905 694188480 /nfs/dbraw/zinc/18/84/80/694188480.db2.gz XXUQKIVIPZEKMP-ZDUSSCGKSA-N 0 3 322.405 2.476 20 5 DEBDHN CC(COC(=O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1)[N+](=O)[O-] ZINC000870378877 688552542 /nfs/dbraw/zinc/55/25/42/688552542.db2.gz ZECFXKSIPZQDTQ-JHJVBQTASA-N 0 3 322.361 2.122 20 5 DEBDHN CC(COC(=O)C1(c2nccc3ccccc32)CC1)[N+](=O)[O-] ZINC000870378372 688552781 /nfs/dbraw/zinc/55/27/81/688552781.db2.gz VTUAQROHSIMEMQ-LLVKDONJSA-N 0 3 300.314 2.475 20 5 DEBDHN CC(C)Oc1nc(N2CC[C@H]3[C@@H]2CCCN3C)ccc1[N+](=O)[O-] ZINC000872779574 689092024 /nfs/dbraw/zinc/09/20/24/689092024.db2.gz RBTARDKMZGWMOT-STQMWFEESA-N 0 3 320.393 2.450 20 5 DEBDHN COc1cc(CNC[C@H]2CC(C)(C)CO2)c([N+](=O)[O-])cc1O ZINC000873155438 689172516 /nfs/dbraw/zinc/17/25/16/689172516.db2.gz JQTLMJOEUZVDAM-LLVKDONJSA-N 0 3 310.350 2.214 20 5 DEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000931058022 694306101 /nfs/dbraw/zinc/30/61/01/694306101.db2.gz WQVARUNYMXKMRH-NEPJUHHUSA-N 0 3 306.366 2.426 20 5 DEBDHN Cc1noc(C)c1[C@H](C)NC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877046601 690006985 /nfs/dbraw/zinc/00/69/85/690006985.db2.gz MLLIOSLQDUIDMG-RKWZHAFESA-N 0 3 305.338 2.450 20 5 DEBDHN CN(CCN1CC2(C1)CCOCC2)Cc1cccc([N+](=O)[O-])c1 ZINC000877765895 690219417 /nfs/dbraw/zinc/21/94/17/690219417.db2.gz SPMXGBHTCZITLW-UHFFFAOYSA-N 0 3 319.405 2.139 20 5 DEBDHN CC(C)(NCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000879408031 690635588 /nfs/dbraw/zinc/63/55/88/690635588.db2.gz UCEGIAUNBBNWLM-CQSZACIVSA-N 0 3 321.377 2.471 20 5 DEBDHN Cc1ccc(CN2C[C@@H](O)CC3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000880579370 690932806 /nfs/dbraw/zinc/93/28/06/690932806.db2.gz QXSSEKBUCJVHNJ-HNNXBMFYSA-N 0 3 320.389 2.267 20 5 DEBDHN Cc1nc([C@@H]2CCN(CCc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000931948840 694513261 /nfs/dbraw/zinc/51/32/61/694513261.db2.gz LAQKYSXQIVYPQZ-CYBMUJFWSA-N 0 3 302.334 2.318 20 5 DEBDHN CNc1ccc(C(=O)NCCN2CCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000890081411 692857879 /nfs/dbraw/zinc/85/78/79/692857879.db2.gz HJYKBXZFTWDYJS-UHFFFAOYSA-N 0 3 320.393 2.098 20 5 DEBDHN COc1c([O-])ccc(C[NH2+][C@@H](C)Cc2ccccn2)c1[N+](=O)[O-] ZINC000895214460 692994248 /nfs/dbraw/zinc/99/42/48/692994248.db2.gz LJSJCNZJJJOXGD-NSHDSACASA-N 0 3 317.345 2.425 20 5 DEBDHN COC(C)(C)[C@H](C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000932368245 694602446 /nfs/dbraw/zinc/60/24/46/694602446.db2.gz CAUCNVDCXYZGLT-NSHDSACASA-N 0 3 309.366 2.245 20 5 DEBDHN Cc1cc(NC(=O)N2CC[C@@H](N3CC=CC3)C2)cc([N+](=O)[O-])c1 ZINC001345488362 1150892401 /nfs/dbraw/zinc/89/24/01/1150892401.db2.gz HONNFLDFJPHZAE-CQSZACIVSA-N 0 3 316.361 2.381 20 5 DEBDHN O=C(c1ccc2c(c1)CNCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001346018613 1150934661 /nfs/dbraw/zinc/93/46/61/1150934661.db2.gz WBMNBMLSFUYTAU-UHFFFAOYSA-N 0 3 323.352 2.443 20 5 DEBDHN C[C@H]1CN(c2ncnc3cc([N+](=O)[O-])ccc32)[C@@H](C)CN1C ZINC001164632244 719190236 /nfs/dbraw/zinc/19/02/36/719190236.db2.gz DQDPTGHNMVOJOA-QWRGUYRKSA-N 0 3 301.350 2.067 20 5 DEBDHN CC(C)CN1CCN(c2ncnc3cc([N+](=O)[O-])ccc32)CC1 ZINC001164653926 719332213 /nfs/dbraw/zinc/33/22/13/719332213.db2.gz ILJACLUHVKXCAG-UHFFFAOYSA-N 0 3 315.377 2.316 20 5 DEBDHN CCCN(C)CC(=O)N(CC)CCNc1ccc([N+](=O)[O-])cc1 ZINC001106809498 782954505 /nfs/dbraw/zinc/95/45/05/782954505.db2.gz VFUZHMAHDANVQF-UHFFFAOYSA-N 0 3 322.409 2.197 20 5 DEBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2CCc3cc4c(cc3C2)OCO4)C1 ZINC001169010966 785003840 /nfs/dbraw/zinc/00/38/40/785003840.db2.gz GSESTMKSLJGUAP-SMDDNHRTSA-N 0 3 304.346 2.219 20 5 DEBDHN COc1cc2c(cc1OC)CN([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169053098 785022858 /nfs/dbraw/zinc/02/28/58/785022858.db2.gz HLHHRLIVIOGRAW-FZMZJTMJSA-N 0 3 306.362 2.465 20 5 DEBDHN NCc1nn(-c2cc([N+](=O)[O-])cc(Cl)n2)c2ccccc12 ZINC001156856243 785995201 /nfs/dbraw/zinc/99/52/01/785995201.db2.gz PHOUPQJZORQWAY-UHFFFAOYSA-N 0 3 303.709 2.441 20 5 DEBDHN Cc1cc(Cl)nc(N2C[C@H]3[C@H](C2)CCCN3C)c1[N+](=O)[O-] ZINC001157265338 786218150 /nfs/dbraw/zinc/21/81/50/786218150.db2.gz JHLOQGSEWOUHAE-QWRGUYRKSA-N 0 3 310.785 2.482 20 5 DEBDHN COc1ccc(C[C@@H](C)N2C[C@@H](O)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC001170328765 786910343 /nfs/dbraw/zinc/91/03/43/786910343.db2.gz MGFIBAQPJNHVAX-BZPMIXESSA-N 0 3 308.378 2.380 20 5 DEBDHN COc1ccc(C[C@H](C)N2CCCC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC001170329380 786911342 /nfs/dbraw/zinc/91/13/42/786911342.db2.gz PTVXRWUJTMHTGM-GXTWGEPZSA-N 0 3 308.378 2.381 20 5 DEBDHN CCOC(=O)C1=C(Nc2cc([N+](=O)[O-])cc(C)c2F)CCNC1 ZINC001170520876 787495934 /nfs/dbraw/zinc/49/59/34/787495934.db2.gz MYSBNVGWAHMYKT-UHFFFAOYSA-N 0 3 323.324 2.265 20 5 DEBDHN C=C/C(C)=C/CC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001132492840 788104837 /nfs/dbraw/zinc/10/48/37/788104837.db2.gz KALLUPHGWCIONY-NTUHNPAUSA-N 0 3 303.362 2.323 20 5 DEBDHN CC1(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)CC=CC1 ZINC001133328020 788364397 /nfs/dbraw/zinc/36/43/97/788364397.db2.gz IIVPKFVUIZTXKW-UHFFFAOYSA-N 0 3 303.362 2.157 20 5 DEBDHN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC001137492157 788370859 /nfs/dbraw/zinc/37/08/59/788370859.db2.gz MBTAQMJSCBHPDT-MNOVXSKESA-N 0 3 321.352 2.397 20 5 DEBDHN CC(=O)Nc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1Cl ZINC001122949731 795825166 /nfs/dbraw/zinc/82/51/66/795825166.db2.gz AVAHFXUIASQAJS-ZETCQYMHSA-N 0 3 300.698 2.120 20 5 DEBDHN O=C(C=C1CCC1)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001156446331 798001519 /nfs/dbraw/zinc/00/15/19/798001519.db2.gz CPBHDFBLOOMWCE-UHFFFAOYSA-N 0 3 309.391 2.363 20 5 DEBDHN CN1CC[C@H](Nc2nc(Cl)nc3ccc([N+](=O)[O-])cc32)C1 ZINC001156580251 798035016 /nfs/dbraw/zinc/03/50/16/798035016.db2.gz IYKBDDHHPSGHGN-QMMMGPOBSA-N 0 3 307.741 2.307 20 5 DEBDHN CC(C)(C)OCC(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001156832318 798090497 /nfs/dbraw/zinc/09/04/97/798090497.db2.gz XXFBYTCSSOTXOT-UHFFFAOYSA-N 0 3 323.393 2.006 20 5 DEBDHN CCOc1nc(N2CCN(CC)CC2(C)C)ccc1[N+](=O)[O-] ZINC001158562065 798429794 /nfs/dbraw/zinc/42/97/94/798429794.db2.gz ZIXMXHGESLSDOI-UHFFFAOYSA-N 0 3 308.382 2.309 20 5 DEBDHN Cc1cc(-n2nccc2CN)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001162592734 799126173 /nfs/dbraw/zinc/12/61/73/799126173.db2.gz OYHMVQCHJVPOCP-UHFFFAOYSA-N 0 3 310.317 2.005 20 5 DEBDHN CNc1cc([N+](=O)[O-])cnc1-n1c2ccccc2nc1[C@H](C)N ZINC001162761966 799168207 /nfs/dbraw/zinc/16/82/07/799168207.db2.gz AHSJAUNXELXGBB-VIFPVBQESA-N 0 3 312.333 2.390 20 5 DEBDHN CSCC(C)(C)NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000934672082 800420076 /nfs/dbraw/zinc/42/00/76/800420076.db2.gz GMBIILQZRWVRJE-UHFFFAOYSA-N 0 3 311.407 2.289 20 5 DEBDHN CCN1CCC[C@H](Oc2cc([N+](=O)[O-])ccc2NC(C)=O)C1 ZINC001230245860 801374357 /nfs/dbraw/zinc/37/43/57/801374357.db2.gz DQVKXPIOIKICKN-ZDUSSCGKSA-N 0 3 307.350 2.416 20 5 DEBDHN COCCN1CCC(Oc2ccc(Cl)nc2[N+](=O)[O-])CC1 ZINC001230879394 801518170 /nfs/dbraw/zinc/51/81/70/801518170.db2.gz OGLRZBGNXLYGHZ-UHFFFAOYSA-N 0 3 315.757 2.133 20 5 DEBDHN CCOC(=O)c1ccc(CO[C@@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC001223967102 802826409 /nfs/dbraw/zinc/82/64/09/802826409.db2.gz SXJLNEBYAWNBJR-CQSZACIVSA-N 0 3 322.361 2.382 20 5 DEBDHN CCN1CCC[C@H](Oc2ccc(CC(=O)OC)cc2[N+](=O)[O-])C1 ZINC001226216286 803073755 /nfs/dbraw/zinc/07/37/55/803073755.db2.gz HJGMMQHETZFQGA-ZDUSSCGKSA-N 0 3 322.361 2.173 20 5 DEBDHN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CCN1C1CCCC1 ZINC001350603317 1151373726 /nfs/dbraw/zinc/37/37/26/1151373726.db2.gz RJVDTMIVWIKVCQ-NSHDSACASA-N 0 3 306.366 2.012 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1[C@H](C)CN[C@H](C)[C@@H]1C ZINC001522828840 1069478502 /nfs/dbraw/zinc/47/85/02/1069478502.db2.gz ZMCSFDPHXSXZEN-UPJWGTAASA-N 0 3 305.378 2.423 20 5 DEBDHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)C1CC2(CC2)C1 ZINC001567559394 1064254081 /nfs/dbraw/zinc/25/40/81/1064254081.db2.gz HWPDYFHYBOXIIM-UHFFFAOYSA-N 0 3 317.389 2.333 20 5 DEBDHN C[C@@H]([NH2+]Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1(C)CC1 ZINC001575383421 1066285652 /nfs/dbraw/zinc/28/56/52/1066285652.db2.gz ALRJWLPBQNXFMF-SECBINFHSA-N 0 3 302.338 2.053 20 5 DEBDHN C[C@@H]([NH2+]Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1(C)CC1 ZINC001575383421 1066285658 /nfs/dbraw/zinc/28/56/58/1066285658.db2.gz ALRJWLPBQNXFMF-SECBINFHSA-N 0 3 302.338 2.053 20 5 DEBDHN Cc1cc(N2CCN[C@H](c3ccc(O)cc3)C2)ncc1[N+](=O)[O-] ZINC001640350780 1078656330 /nfs/dbraw/zinc/65/63/30/1078656330.db2.gz PDDIXJWPLCPJLT-AWEZNQCLSA-N 0 3 314.345 2.155 20 5 DEBDHN C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC001558603166 1075100998 /nfs/dbraw/zinc/10/09/98/1075100998.db2.gz KQDHMQLVPCJUFT-OLZOCXBDSA-N 0 3 305.378 2.156 20 5 DEBDHN C[C@@H]1CCCC[N@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001590253560 1076601077 /nfs/dbraw/zinc/60/10/77/1076601077.db2.gz GKXYTMQETPFIGH-LLVKDONJSA-N 0 3 316.365 2.397 20 5 DEBDHN C[C@@H]1CCCC[N@@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001590253560 1076601078 /nfs/dbraw/zinc/60/10/78/1076601078.db2.gz GKXYTMQETPFIGH-LLVKDONJSA-N 0 3 316.365 2.397 20 5 DEBDHN C[C@@H]1CCCC[N@H+](Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001590253560 1076601081 /nfs/dbraw/zinc/60/10/81/1076601081.db2.gz GKXYTMQETPFIGH-LLVKDONJSA-N 0 3 316.365 2.397 20 5 DEBDHN C[C@@H]1CCCC[N@@H+](Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001590253560 1076601082 /nfs/dbraw/zinc/60/10/82/1076601082.db2.gz GKXYTMQETPFIGH-LLVKDONJSA-N 0 3 316.365 2.397 20 5 DEBDHN CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590501882 1076641496 /nfs/dbraw/zinc/64/14/96/1076641496.db2.gz GSQOBTYGXWTOIX-GXFFZTMASA-N 0 3 316.365 2.395 20 5 DEBDHN CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590501882 1076641499 /nfs/dbraw/zinc/64/14/99/1076641499.db2.gz GSQOBTYGXWTOIX-GXFFZTMASA-N 0 3 316.365 2.395 20 5 DEBDHN CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590501882 1076641500 /nfs/dbraw/zinc/64/15/00/1076641500.db2.gz GSQOBTYGXWTOIX-GXFFZTMASA-N 0 3 316.365 2.395 20 5 DEBDHN CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590501882 1076641502 /nfs/dbraw/zinc/64/15/02/1076641502.db2.gz GSQOBTYGXWTOIX-GXFFZTMASA-N 0 3 316.365 2.395 20 5 DEBDHN C[C@@H]1CC(C)(C)C[N@@H+]1Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609153892 1077774640 /nfs/dbraw/zinc/77/46/40/1077774640.db2.gz FHYZUVBJEOTVKI-SNVBAGLBSA-N 0 3 316.365 2.395 20 5 DEBDHN C[C@@H]1CC(C)(C)C[N@H+]1Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609153892 1077774642 /nfs/dbraw/zinc/77/46/42/1077774642.db2.gz FHYZUVBJEOTVKI-SNVBAGLBSA-N 0 3 316.365 2.395 20 5 DEBDHN C[C@@H]1CC(C)(C)C[N@@H+]1Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609153892 1077774645 /nfs/dbraw/zinc/77/46/45/1077774645.db2.gz FHYZUVBJEOTVKI-SNVBAGLBSA-N 0 3 316.365 2.395 20 5 DEBDHN C[C@@H]1CC(C)(C)C[N@H+]1Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609153892 1077774650 /nfs/dbraw/zinc/77/46/50/1077774650.db2.gz FHYZUVBJEOTVKI-SNVBAGLBSA-N 0 3 316.365 2.395 20 5 DEBDHN CC[C@H]1C[C@H](C)C[N@@H+]1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609198493 1077794050 /nfs/dbraw/zinc/79/40/50/1077794050.db2.gz BSDRMUHNBKLAPV-QWRGUYRKSA-N 0 3 316.365 2.395 20 5 DEBDHN CC[C@H]1C[C@H](C)C[N@H+]1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609198493 1077794054 /nfs/dbraw/zinc/79/40/54/1077794054.db2.gz BSDRMUHNBKLAPV-QWRGUYRKSA-N 0 3 316.365 2.395 20 5 DEBDHN CC[C@H]1C[C@H](C)C[N@@H+]1Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609198493 1077794059 /nfs/dbraw/zinc/79/40/59/1077794059.db2.gz BSDRMUHNBKLAPV-QWRGUYRKSA-N 0 3 316.365 2.395 20 5 DEBDHN CC[C@H]1C[C@H](C)C[N@H+]1Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609198493 1077794065 /nfs/dbraw/zinc/79/40/65/1077794065.db2.gz BSDRMUHNBKLAPV-QWRGUYRKSA-N 0 3 316.365 2.395 20 5 DEBDHN COc1cc(CCNCc2ccc([N+](=O)[O-])cc2F)ccn1 ZINC001658689621 1080214578 /nfs/dbraw/zinc/21/45/78/1080214578.db2.gz WFZKYYXWNLUSAJ-UHFFFAOYSA-N 0 3 305.309 2.470 20 5 DEBDHN CC/C(C)=C/C(=O)N(C)CCNCc1cccc([N+](=O)[O-])c1 ZINC001663920396 1080836869 /nfs/dbraw/zinc/83/68/69/1080836869.db2.gz VLDQTZREEREDLQ-JLHYYAGUSA-N 0 3 305.378 2.499 20 5 DEBDHN COc1ccccc1C1(NCCn2cc([N+](=O)[O-])cn2)CCC1 ZINC001319798171 1140720661 /nfs/dbraw/zinc/72/06/61/1140720661.db2.gz HIUKVTARMJJJRV-UHFFFAOYSA-N 0 3 316.361 2.469 20 5 DEBDHN CCOC(=O)C[C@H]1CCCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001320585806 1140882674 /nfs/dbraw/zinc/88/26/74/1140882674.db2.gz XISACVWYXUVWJU-CABCVRRESA-N 0 3 322.361 2.046 20 5 DEBDHN Cc1cncc([N+](=O)[O-])c1N[C@@H]1CCN(Cc2ccccc2)C1 ZINC001324358235 1142061082 /nfs/dbraw/zinc/06/10/82/1142061082.db2.gz OSHZYSWGCKOTPH-OAHLLOKOSA-N 0 3 312.373 2.407 20 5 DEBDHN CN1CCCC[C@@H]1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001337478355 1142759451 /nfs/dbraw/zinc/75/94/51/1142759451.db2.gz FBQLFNFZQOLJPG-GFCCVEGCSA-N 0 3 316.361 2.290 20 5 DEBDHN C[C@H](C(=O)NC[C@H]1CCCCN1C)c1cccc([N+](=O)[O-])c1 ZINC001337478236 1142759516 /nfs/dbraw/zinc/75/95/16/1142759516.db2.gz CXARBGYJYMIGLI-SWLSCSKDSA-N 0 3 305.378 2.299 20 5 DEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCc2nccn2CC1 ZINC001254566831 1143251883 /nfs/dbraw/zinc/25/18/83/1143251883.db2.gz UNQMVVGCBHAKPA-CYBMUJFWSA-N 0 3 300.362 2.281 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](NCc1ncn3ccccc13)C2 ZINC001254585346 1143268617 /nfs/dbraw/zinc/26/86/17/1143268617.db2.gz DUUITXFNXLNWSG-CQSZACIVSA-N 0 3 308.341 2.500 20 5 DEBDHN CC(C)CNC(=O)CN[C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001261853045 1144278742 /nfs/dbraw/zinc/27/87/42/1144278742.db2.gz VYZCINWWPVNENR-LLVKDONJSA-N 0 3 311.357 2.027 20 5 DEBDHN CCN(CCCNC(=O)C(F)F)Cc1cccc([N+](=O)[O-])c1 ZINC001316880087 1147619737 /nfs/dbraw/zinc/61/97/37/1147619737.db2.gz NYQYNYHUONWFLR-UHFFFAOYSA-N 0 3 315.320 2.188 20 5 DEBDHN CC(C)(C)N1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC001317910170 1147760538 /nfs/dbraw/zinc/76/05/38/1147760538.db2.gz KPSDCMKLEAXCKY-UHFFFAOYSA-N 0 3 317.393 2.318 20 5 DEBDHN CC(C)CCn1cccc1CNCCn1cc([N+](=O)[O-])cn1 ZINC000151268864 282113502 /nfs/dbraw/zinc/11/35/02/282113502.db2.gz OBRAVVMIWHSXNC-UHFFFAOYSA-N 0 3 305.382 2.429 20 5 DEBDHN Cn1nccc1N1CCC[C@@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000278469971 214173229 /nfs/dbraw/zinc/17/32/29/214173229.db2.gz GZHVUOHSRHHLIB-CQSZACIVSA-N 0 3 315.377 2.087 20 5 DEBDHN CC[C@H](NC(=O)NCCN(C)CC)c1cccc([N+](=O)[O-])c1 ZINC000090552421 185302666 /nfs/dbraw/zinc/30/26/66/185302666.db2.gz VQSKRHCCJGVYHK-AWEZNQCLSA-N 0 3 308.382 2.297 20 5 DEBDHN COc1cccc(N2CCN(c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000613869078 362236765 /nfs/dbraw/zinc/23/67/65/362236765.db2.gz ALWSKJPZNJWPMK-UHFFFAOYSA-N 0 3 314.345 2.325 20 5 DEBDHN CS(=O)(=O)C1(CNC/C=C/c2ccccc2[N+](=O)[O-])CCC1 ZINC000279868930 215194199 /nfs/dbraw/zinc/19/41/99/215194199.db2.gz SZUUEHLOWCEPLP-QPJJXVBHSA-N 0 3 324.402 2.165 20 5 DEBDHN O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@H]1CCN(C2CC2)C1 ZINC000331378766 233229905 /nfs/dbraw/zinc/22/99/05/233229905.db2.gz HYSMKRSRLRTHLG-VIFPVBQESA-N 0 3 308.313 2.092 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CCN(C)C1CC1 ZINC000183894205 186228549 /nfs/dbraw/zinc/22/85/49/186228549.db2.gz FQZIJPXHAABAMJ-UHFFFAOYSA-N 0 3 306.366 2.461 20 5 DEBDHN CSc1ccc(C(=O)N2CCN[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000262861456 186315205 /nfs/dbraw/zinc/31/52/05/186315205.db2.gz UERQDTKAGJIYDM-NXEZZACHSA-N 0 3 309.391 2.139 20 5 DEBDHN C[C@@H]1CN(CCN(C)CCc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000595476460 358459393 /nfs/dbraw/zinc/45/93/93/358459393.db2.gz MNIWMVDVEVROON-HUUCEWRRSA-N 0 3 321.421 2.178 20 5 DEBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000287214714 219386026 /nfs/dbraw/zinc/38/60/26/219386026.db2.gz UZNIOBJQZIJMOW-NWDGAFQWSA-N 0 3 319.365 2.080 20 5 DEBDHN COC(=O)c1cc([N+](=O)[O-])c(NC[C@H](C)N(C)C)cc1Cl ZINC000277204018 213364539 /nfs/dbraw/zinc/36/45/39/213364539.db2.gz YBAGJWYWKNFQNH-QMMMGPOBSA-N 0 3 315.757 2.397 20 5 DEBDHN C[C@@]1(CO)CCC[C@H]1NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000331983983 234352002 /nfs/dbraw/zinc/35/20/02/234352002.db2.gz TWJKEGIDJCHLDB-ZBFHGGJFSA-N 0 3 322.361 2.102 20 5 DEBDHN O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H](N2CC=CC2)C1 ZINC000174179203 198301736 /nfs/dbraw/zinc/30/17/36/198301736.db2.gz WYTGGJWCIDISAH-CQSZACIVSA-N 0 3 302.334 2.073 20 5 DEBDHN COc1ccc([C@H]2CCN(CCn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000174838859 198392544 /nfs/dbraw/zinc/39/25/44/198392544.db2.gz YFYYVNQJCQQVLY-AWEZNQCLSA-N 0 3 316.361 2.289 20 5 DEBDHN CCN(CCNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000617718543 363229901 /nfs/dbraw/zinc/22/99/01/363229901.db2.gz OTAUYJFPXPBXSZ-LBPRGKRZSA-N 0 3 305.378 2.299 20 5 DEBDHN Cc1ccc(C(=O)NCCN2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000046862102 354293900 /nfs/dbraw/zinc/29/39/00/354293900.db2.gz XSUUPLLVLBOWPE-LBPRGKRZSA-N 0 3 305.378 2.365 20 5 DEBDHN O=C(NCC1CC1)[C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000047981103 354337199 /nfs/dbraw/zinc/33/71/99/354337199.db2.gz JTLYPCBKFIJMJF-HNNXBMFYSA-N 0 3 317.389 2.333 20 5 DEBDHN CCCNC(=O)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000052492678 354404121 /nfs/dbraw/zinc/40/41/21/354404121.db2.gz JQYXGAXCFXDTEX-UHFFFAOYSA-N 0 3 319.405 2.376 20 5 DEBDHN CN(C)Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000061231747 354623783 /nfs/dbraw/zinc/62/37/83/354623783.db2.gz MLBPJQPDHKLIGK-UHFFFAOYSA-N 0 3 303.318 2.179 20 5 DEBDHN CCOc1cc(NCCN2CCN(CC)CC2)ccc1[N+](=O)[O-] ZINC000092606278 355641564 /nfs/dbraw/zinc/64/15/64/355641564.db2.gz VVVMBTLAFPGUPF-UHFFFAOYSA-N 0 3 322.409 2.043 20 5 DEBDHN CCOc1cc(NCCCN2CCC(O)CC2)ccc1[N+](=O)[O-] ZINC000092620533 355641579 /nfs/dbraw/zinc/64/15/79/355641579.db2.gz ILUBTJNDCUQOEH-UHFFFAOYSA-N 0 3 323.393 2.252 20 5 DEBDHN CC[C@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000182351209 356122672 /nfs/dbraw/zinc/12/26/72/356122672.db2.gz UYPKSCOYEQYKGO-CQDKDKBSSA-N 0 3 321.377 2.469 20 5 DEBDHN COc1ccc(OCCN2CCC[C@@H](CO)CC2)c([N+](=O)[O-])c1 ZINC000293280310 356388502 /nfs/dbraw/zinc/38/85/02/356388502.db2.gz VJGKVZSCWQGUBH-CYBMUJFWSA-N 0 3 324.377 2.077 20 5 DEBDHN COc1ccc(CNC[C@H](O)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000237198389 202185995 /nfs/dbraw/zinc/18/59/95/202185995.db2.gz JLVPRZICEUJXIL-OAHLLOKOSA-N 0 3 316.357 2.297 20 5 DEBDHN NC(=O)C1(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])CCCC1 ZINC000579140813 356930065 /nfs/dbraw/zinc/93/00/65/356930065.db2.gz RSHKYTYMKCFDPW-CYBMUJFWSA-N 0 3 303.362 2.217 20 5 DEBDHN CCC(=O)N1CC[C@@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000580844098 357089762 /nfs/dbraw/zinc/08/97/62/357089762.db2.gz LYIRRCBVNNCPDK-BXUZGUMPSA-N 0 3 303.362 2.183 20 5 DEBDHN CCC(=O)N1CC[C@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000580844100 357090004 /nfs/dbraw/zinc/09/00/04/357090004.db2.gz LYIRRCBVNNCPDK-FZMZJTMJSA-N 0 3 303.362 2.183 20 5 DEBDHN CC1(C)CC[C@@H]1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000581201707 357149062 /nfs/dbraw/zinc/14/90/62/357149062.db2.gz OKIHSQLZWMHTHY-AWEZNQCLSA-N 0 3 303.362 2.262 20 5 DEBDHN CCOc1ccc([C@@H](C)NC[C@H]2CCCNC2=O)cc1[N+](=O)[O-] ZINC000591243898 357694178 /nfs/dbraw/zinc/69/41/78/357694178.db2.gz OBAMAUKLIZWHTP-DGCLKSJQSA-N 0 3 321.377 2.170 20 5 DEBDHN CCOC(=O)Cc1ccc(NC2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000591889010 357781461 /nfs/dbraw/zinc/78/14/61/357781461.db2.gz LXBGDDZVWZAVPT-UHFFFAOYSA-N 0 3 321.377 2.207 20 5 DEBDHN C[C@H](CO)C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000593084139 358004782 /nfs/dbraw/zinc/00/47/82/358004782.db2.gz NGTCJWMOEFLPQY-CYBMUJFWSA-N 0 3 308.378 2.314 20 5 DEBDHN COC(=O)[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@H]1C1CC1 ZINC000593122602 358016002 /nfs/dbraw/zinc/01/60/02/358016002.db2.gz ICSKPNFAEIJZCB-UONOGXRCSA-N 0 3 304.346 2.226 20 5 DEBDHN O=C1C[C@@H](CNCc2ccc([N+](=O)[O-])cc2Cl)CN1C1CC1 ZINC000593682004 358122754 /nfs/dbraw/zinc/12/27/54/358122754.db2.gz PUIRXYJGJNLHNP-JTQLQIEISA-N 0 3 323.780 2.349 20 5 DEBDHN Cc1c(CC(=O)N(C)CCN2CCCCC2)cccc1[N+](=O)[O-] ZINC000593884599 358164669 /nfs/dbraw/zinc/16/46/69/358164669.db2.gz SQPAEVWMQQQPHW-UHFFFAOYSA-N 0 3 319.405 2.390 20 5 DEBDHN CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)OCC(C)[N+](=O)[O-] ZINC000495902665 283349538 /nfs/dbraw/zinc/34/95/38/283349538.db2.gz KRJUSFPLHSEUQI-HZMBPMFUSA-N 0 3 318.370 2.278 20 5 DEBDHN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594197375 358221720 /nfs/dbraw/zinc/22/17/20/358221720.db2.gz NHYGGXXIXCUFMG-HZPDHXFCSA-N 0 3 317.389 2.270 20 5 DEBDHN Cc1noc(CN2CCN(CCC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000595294353 358414077 /nfs/dbraw/zinc/41/40/77/358414077.db2.gz ZOKMCWIWGUVOFJ-UHFFFAOYSA-N 0 3 310.398 2.445 20 5 DEBDHN O=c1[n-]ccc(N2CC[C@H](C[NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000596138568 358620449 /nfs/dbraw/zinc/62/04/49/358620449.db2.gz XUWWOAJODITUJA-GFCCVEGCSA-N 0 3 306.366 2.008 20 5 DEBDHN CN(CCCN(C)c1ccc(N)c([N+](=O)[O-])n1)Cc1ccco1 ZINC000596230753 358646577 /nfs/dbraw/zinc/64/65/77/358646577.db2.gz FGQBFFZTNLZBHO-UHFFFAOYSA-N 0 3 319.365 2.123 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@]3(CCN(C)C3)C2)c1 ZINC000597716739 358987694 /nfs/dbraw/zinc/98/76/94/358987694.db2.gz TWBILBTXDDZQKD-KRWDZBQOSA-N 0 3 317.389 2.461 20 5 DEBDHN CCCN1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000598342020 359168619 /nfs/dbraw/zinc/16/86/19/359168619.db2.gz JWFLNPRIKMFCHA-VNQPRFMTSA-N 0 3 317.389 2.299 20 5 DEBDHN CCCN1CC[C@@H](NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)C1 ZINC000598341802 359169249 /nfs/dbraw/zinc/16/92/49/359169249.db2.gz GKGMHMUOWZIAJV-CYBMUJFWSA-N 0 3 321.377 2.126 20 5 DEBDHN CCCN1CC[C@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000598343295 359170818 /nfs/dbraw/zinc/17/08/18/359170818.db2.gz STTNGQKUQOYIQC-NSHDSACASA-N 0 3 316.361 2.290 20 5 DEBDHN CCc1ccc(C(=O)N2CCN[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000598573765 359245902 /nfs/dbraw/zinc/24/59/02/359245902.db2.gz OJWLOGBPSBZPAN-AWEZNQCLSA-N 0 3 305.378 2.227 20 5 DEBDHN O=c1[nH]cccc1CN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000599088645 359399997 /nfs/dbraw/zinc/39/99/97/359399997.db2.gz RXTPYODDRGCYNI-CHWSQXEVSA-N 0 3 317.349 2.165 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000599622725 359544971 /nfs/dbraw/zinc/54/49/71/359544971.db2.gz IMDZUYXRFSFEAH-XYPHTWIQSA-N 0 3 322.405 2.277 20 5 DEBDHN CCN(C(=O)c1cc([N+](=O)[O-])ccc1C)C1CCN(C)CC1 ZINC000599986501 359629440 /nfs/dbraw/zinc/62/94/40/359629440.db2.gz VRZMRZVRFLHCGN-UHFFFAOYSA-N 0 3 305.378 2.460 20 5 DEBDHN CN(C)CC1(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000281103753 216081224 /nfs/dbraw/zinc/08/12/24/216081224.db2.gz QKIFXZYBOAQOHB-RMKNXTFCSA-N 0 3 303.362 2.209 20 5 DEBDHN CC1CCN(CCNC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000600998437 359887578 /nfs/dbraw/zinc/88/75/78/359887578.db2.gz WCBNUSOFRZRHKX-UHFFFAOYSA-N 0 3 309.341 2.196 20 5 DEBDHN CN1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1(C)C ZINC000601187878 359957519 /nfs/dbraw/zinc/95/75/19/359957519.db2.gz YKQTUYVGNKWFBW-UHFFFAOYSA-N 0 3 301.350 2.068 20 5 DEBDHN CC[C@@H]1CN(C)CCCN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000601188265 359957560 /nfs/dbraw/zinc/95/75/60/359957560.db2.gz FRVWAVPIDUQKLK-GFCCVEGCSA-N 0 3 315.377 2.459 20 5 DEBDHN COC(=O)C[C@H]1CCCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000604473340 360908625 /nfs/dbraw/zinc/90/86/25/360908625.db2.gz UOBOYKHYZOBREG-CQSZACIVSA-N 0 3 322.361 2.391 20 5 DEBDHN CC[C@H](CN1CCCC1)NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000609833860 361343183 /nfs/dbraw/zinc/34/31/83/361343183.db2.gz YYVMVZLSMHXARL-CYBMUJFWSA-N 0 3 321.377 2.208 20 5 DEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000610368655 361390196 /nfs/dbraw/zinc/39/01/96/361390196.db2.gz RQYORQGBPKOZSB-XYPHTWIQSA-N 0 3 319.405 2.187 20 5 DEBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1C[C@@H]2CCC[C@H]21 ZINC000610762483 361462214 /nfs/dbraw/zinc/46/22/14/361462214.db2.gz LHHNYNXQZPHQPR-WCQYABFASA-N 0 3 317.345 2.377 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCCOC[C@@H]1C ZINC000610990590 361505695 /nfs/dbraw/zinc/50/56/95/361505695.db2.gz BTQNYHZZQCRKSO-ZDUSSCGKSA-N 0 3 321.377 2.343 20 5 DEBDHN CCN(C[C@H]1CCOC1)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000611205230 361548929 /nfs/dbraw/zinc/54/89/29/361548929.db2.gz OQGUBSLGYVYUPM-QWHCGFSZSA-N 0 3 321.377 2.280 20 5 DEBDHN CCN(C[C@@H]1CCOC1)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000611205229 361549243 /nfs/dbraw/zinc/54/92/43/361549243.db2.gz OQGUBSLGYVYUPM-OLZOCXBDSA-N 0 3 321.377 2.280 20 5 DEBDHN Cc1ccc([C@@H](C)NCc2ccn(C)c(=O)c2)cc1[N+](=O)[O-] ZINC000611404459 361592104 /nfs/dbraw/zinc/59/21/04/361592104.db2.gz NFEDZRYHTBDSQJ-GFCCVEGCSA-N 0 3 301.346 2.453 20 5 DEBDHN CO[C@@H]1CCC[C@@H]1CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611377033 361587895 /nfs/dbraw/zinc/58/78/95/361587895.db2.gz QXAQIMOFZRTKMX-BXUZGUMPSA-N 0 3 322.361 2.271 20 5 DEBDHN CCN1CCCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000611565011 361632553 /nfs/dbraw/zinc/63/25/53/361632553.db2.gz QIEPORHHWZIRDF-UHFFFAOYSA-N 0 3 301.350 2.070 20 5 DEBDHN Cc1cc([C@@H](C)NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c(C)s1 ZINC000194561385 201252426 /nfs/dbraw/zinc/25/24/26/201252426.db2.gz VNECJZXTGYREOI-ZWNOBZJWSA-N 0 3 324.406 2.181 20 5 DEBDHN C[C@H]1CN(C2CC2)C[C@@H]1Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611707522 361663366 /nfs/dbraw/zinc/66/33/66/361663366.db2.gz IUKZFMCPJKXPPV-BONVTDFDSA-N 0 3 313.361 2.433 20 5 DEBDHN C[C@@H]1CN(CCN(C)CCc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000195315183 201380224 /nfs/dbraw/zinc/38/02/24/201380224.db2.gz ZBZLKVODPVZOPW-GASCZTMLSA-N 0 3 321.421 2.178 20 5 DEBDHN CO[C@@H]1CCCC[C@@H]1N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000275177410 212174773 /nfs/dbraw/zinc/17/47/73/212174773.db2.gz CNUAUPIGDYBVEY-BYCMXARLSA-N 0 3 321.377 2.469 20 5 DEBDHN CSC[C@H](O)CN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550831 243112823 /nfs/dbraw/zinc/11/28/23/243112823.db2.gz SEQTTWDNYGIHEU-DZGCQCFKSA-N 0 3 310.419 2.498 20 5 DEBDHN CCOc1cc(CN2C[C@@H]3CCN(C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000451628086 243231561 /nfs/dbraw/zinc/23/15/61/243231561.db2.gz ZSYGAAIEMLKESQ-DZGCQCFKSA-N 0 3 305.378 2.129 20 5 DEBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CCCN1C1CC1 ZINC000282505971 217048911 /nfs/dbraw/zinc/04/89/11/217048911.db2.gz OBLINMASHRIBJU-MRXNPFEDSA-N 0 3 317.389 2.223 20 5 DEBDHN CN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@H]1CCCN(C)C1 ZINC000266013372 205026170 /nfs/dbraw/zinc/02/61/70/205026170.db2.gz VQGFPOFUKXTZRF-LBPRGKRZSA-N 0 3 316.361 2.242 20 5 DEBDHN C[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000266454302 205359121 /nfs/dbraw/zinc/35/91/21/205359121.db2.gz PAQFFWSBDSTUDC-QMTHXVAHSA-N 0 3 324.768 2.156 20 5 DEBDHN Cc1ccc([C@@H](C)NC(=O)N2CCCN(C)CC2)cc1[N+](=O)[O-] ZINC000267945730 206352263 /nfs/dbraw/zinc/35/22/63/206352263.db2.gz BOIKRJPHWWWPJE-CYBMUJFWSA-N 0 3 320.393 2.311 20 5 DEBDHN CC(C)[C@@H]1CN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CCN1C ZINC000493015637 249196419 /nfs/dbraw/zinc/19/64/19/249196419.db2.gz KLFNMPOSDCTXRA-QWGSZXSUSA-N 0 3 317.389 2.407 20 5 DEBDHN CN(C[C@H]1CCCN1C)C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000493089181 249217668 /nfs/dbraw/zinc/21/76/68/249217668.db2.gz VYKBPNKLUKOKCN-CFYYFVFUSA-N 0 3 303.362 2.161 20 5 DEBDHN CNc1ccc(C(=O)N2CCCC[C@@H]2CN(C)C)cc1[N+](=O)[O-] ZINC000404925737 291708470 /nfs/dbraw/zinc/70/84/70/291708470.db2.gz JSAXDYIKEIYPFA-CYBMUJFWSA-N 0 3 320.393 2.193 20 5 DEBDHN Cc1nnc(CCN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)s1 ZINC000294269936 223940271 /nfs/dbraw/zinc/94/02/71/223940271.db2.gz LTDDZMZNKJDXMD-MRVPVSSYSA-N 0 3 307.379 2.230 20 5 DEBDHN CN(C)CCOc1ccc(NC(=O)CCC(C)(C)[N+](=O)[O-])cc1 ZINC000294473967 224045623 /nfs/dbraw/zinc/04/56/23/224045623.db2.gz NQCYQNDABPDXRJ-UHFFFAOYSA-N 0 3 323.393 2.401 20 5 DEBDHN O=[N+]([O-])c1ccc(CCN2CCC[C@@H](Cn3ccnn3)C2)cc1 ZINC000119875047 195053063 /nfs/dbraw/zinc/05/30/63/195053063.db2.gz KQOQQGOGOWZMML-OAHLLOKOSA-N 0 3 315.377 2.141 20 5 DEBDHN CNC(=O)[C@@H]1CCC[C@H]1N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000358236186 133130282 /nfs/dbraw/zinc/13/02/82/133130282.db2.gz ABZSGIGODZFAMZ-IACUBPJLSA-N 0 3 305.378 2.469 20 5 DEBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC([C@H]3CCOC3)CC2)c1 ZINC000376338813 133290984 /nfs/dbraw/zinc/29/09/84/133290984.db2.gz FHRVOVAERQJXOM-RDJZCZTQSA-N 0 3 320.389 2.377 20 5 DEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC3(C2)CCCC3)c1 ZINC000372492765 133355811 /nfs/dbraw/zinc/35/58/11/133355811.db2.gz FXHTUIAZAJBTPJ-CQSZACIVSA-N 0 3 306.362 2.211 20 5 DEBDHN Cn1nncc1CN[C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000352591540 404478969 /nfs/dbraw/zinc/47/89/69/404478969.db2.gz TWDXWFOWGOGRLG-WFASDCNBSA-N 0 3 315.377 2.224 20 5 DEBDHN Cc1c(CC(=O)N(CCN(C)C)CC(C)C)cccc1[N+](=O)[O-] ZINC000120855111 144677470 /nfs/dbraw/zinc/67/74/70/144677470.db2.gz NOVWKSCXGNZOLS-UHFFFAOYSA-N 0 3 321.421 2.492 20 5 DEBDHN O=[N+]([O-])c1cccc(OCCN2CCS[C@@H]3COCC[C@H]32)c1 ZINC000247344176 145134084 /nfs/dbraw/zinc/13/40/84/145134084.db2.gz XSIPQBBVAMPTFV-HUUCEWRRSA-N 0 3 324.402 2.180 20 5 DEBDHN COc1cc(CN[C@@H]2CCC[C@@H]2CCO)c([N+](=O)[O-])cc1F ZINC000348149983 146224662 /nfs/dbraw/zinc/22/46/62/146224662.db2.gz KFWGKNLOEZGRJB-ZWNOBZJWSA-N 0 3 312.341 2.383 20 5 DEBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000358390837 147124685 /nfs/dbraw/zinc/12/46/85/147124685.db2.gz IBKVQTLTVHIBOP-GFCCVEGCSA-N 0 3 323.368 2.077 20 5 DEBDHN CN(C[C@H]1CCCN(C)C1)C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000358390839 147124715 /nfs/dbraw/zinc/12/47/15/147124715.db2.gz IBKVQTLTVHIBOP-LBPRGKRZSA-N 0 3 323.368 2.077 20 5 DEBDHN Cc1ccc(CN[C@@H]2CC(=O)N3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000370288314 148003097 /nfs/dbraw/zinc/00/30/97/148003097.db2.gz MOROBPDUKKQUPF-ZIAGYGMSSA-N 0 3 303.362 2.146 20 5 DEBDHN Cc1ccc(CN[C@@H]2CC(=O)N3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000370288312 148003689 /nfs/dbraw/zinc/00/36/89/148003689.db2.gz MOROBPDUKKQUPF-KGLIPLIRSA-N 0 3 303.362 2.146 20 5 DEBDHN Cc1ccc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)cc1 ZINC000076714510 401799241 /nfs/dbraw/zinc/79/92/41/401799241.db2.gz SBGAMBOBCLIALC-UHFFFAOYSA-N 0 3 313.357 2.423 20 5 DEBDHN CS(=O)(=O)[C@@H]1CCC[C@@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000077459169 401816649 /nfs/dbraw/zinc/81/66/49/401816649.db2.gz PZNSUTWETCOGNR-TZMCWYRMSA-N 0 3 312.391 2.040 20 5 DEBDHN CC(C)N(C)CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000135188468 401929437 /nfs/dbraw/zinc/92/94/37/401929437.db2.gz ZTMWIAAXGATGOS-UHFFFAOYSA-N 0 3 305.378 2.426 20 5 DEBDHN O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@@H](N2CCCC2)C1 ZINC000087259991 401929666 /nfs/dbraw/zinc/92/96/66/401929666.db2.gz MPLXIVSJIBVOGW-MRXNPFEDSA-N 0 3 317.389 2.224 20 5 DEBDHN Cc1ccc(C(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000119551411 401958202 /nfs/dbraw/zinc/95/82/02/401958202.db2.gz ITIKPZVJACASPP-HUUCEWRRSA-N 0 3 317.389 2.460 20 5 DEBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000136968457 401977057 /nfs/dbraw/zinc/97/70/57/401977057.db2.gz GUYDVYDIUMPLCE-XJKSGUPXSA-N 0 3 316.361 2.231 20 5 DEBDHN O=C(NCCN1CCCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000047139888 401979446 /nfs/dbraw/zinc/97/94/46/401979446.db2.gz HRLNPRYASCWLGE-UHFFFAOYSA-N 0 3 311.769 2.464 20 5 DEBDHN CC[C@H](N[C@@H](C)CN1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000121386239 402032527 /nfs/dbraw/zinc/03/25/27/402032527.db2.gz OVJIDLHIZKBHEJ-BBRMVZONSA-N 0 3 307.394 2.356 20 5 DEBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](N(C)C)C2)c1 ZINC000068341355 402194323 /nfs/dbraw/zinc/19/43/23/402194323.db2.gz UVFQLEHFYSSIGQ-LLVKDONJSA-N 0 3 323.418 2.483 20 5 DEBDHN COc1ccc([C@@H]2CCN(CCn3ccc([N+](=O)[O-])n3)C2)cc1 ZINC000176223274 402292136 /nfs/dbraw/zinc/29/21/36/402292136.db2.gz AVLADYPSPMEUSN-CQSZACIVSA-N 0 3 316.361 2.289 20 5 DEBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCNC(C)(C)C1 ZINC000184838807 402302853 /nfs/dbraw/zinc/30/28/53/402302853.db2.gz XZKOXPXCSAPAHZ-AWEZNQCLSA-N 0 3 319.405 2.374 20 5 DEBDHN Cc1cccc(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)c1[N+](=O)[O-] ZINC000177041294 402363186 /nfs/dbraw/zinc/36/31/86/402363186.db2.gz GNKNNEFRKIXEQO-NEPJUHHUSA-N 0 3 303.362 2.258 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1CNC1CCC(NC(C)=O)CC1 ZINC000161869167 402402037 /nfs/dbraw/zinc/40/20/37/402402037.db2.gz HWVNMPYNNQWZJW-UHFFFAOYSA-N 0 3 321.377 2.140 20 5 DEBDHN Cc1c(CN2CCC(Cn3cncn3)CC2)cccc1[N+](=O)[O-] ZINC000186234243 402414106 /nfs/dbraw/zinc/41/41/06/402414106.db2.gz NUDGWUUAAJCUSC-UHFFFAOYSA-N 0 3 315.377 2.407 20 5 DEBDHN C[C@H]1C[C@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000177731352 402430871 /nfs/dbraw/zinc/43/08/71/402430871.db2.gz FJJSEQXQVVGQFB-AAEUAGOBSA-N 0 3 318.377 2.019 20 5 DEBDHN CN(CCN(C)C1CC1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000186725278 402460224 /nfs/dbraw/zinc/46/02/24/402460224.db2.gz HSTYIEIQCUTXKR-UHFFFAOYSA-N 0 3 311.769 2.414 20 5 DEBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCC[C@H]1O ZINC000245564469 402471636 /nfs/dbraw/zinc/47/16/36/402471636.db2.gz YXKCIEYGKXSXAC-XJKSGUPXSA-N 0 3 308.378 2.457 20 5 DEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCCC2(CC2)C1 ZINC000186979833 402475746 /nfs/dbraw/zinc/47/57/46/402475746.db2.gz ODJKHXYEERUGII-ZDUSSCGKSA-N 0 3 306.362 2.211 20 5 DEBDHN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](N2CCCC2)C1 ZINC000170719629 402517236 /nfs/dbraw/zinc/51/72/36/402517236.db2.gz SAUPSUPTPGYDHY-CQSZACIVSA-N 0 3 304.350 2.297 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1CN1CC[C@H](c2nccn2C)C1 ZINC000566413495 292236737 /nfs/dbraw/zinc/23/67/37/292236737.db2.gz GPFIGMITQFPTQE-ZDUSSCGKSA-N 0 3 316.361 2.326 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCCN(C)C1 ZINC000171733242 402616476 /nfs/dbraw/zinc/61/64/76/402616476.db2.gz CTJHHBMAIVMEEX-LLVKDONJSA-N 0 3 322.365 2.067 20 5 DEBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000566474717 292245260 /nfs/dbraw/zinc/24/52/60/292245260.db2.gz HPILKMZPDUSFJB-ZENOOKHLSA-N 0 3 317.389 2.035 20 5 DEBDHN CCNC(=O)C1(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])CCC1 ZINC000566476405 292245681 /nfs/dbraw/zinc/24/56/81/292245681.db2.gz XKPMLVNCPVMJQG-AWEZNQCLSA-N 0 3 317.389 2.478 20 5 DEBDHN Cc1cccc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)c1[N+](=O)[O-] ZINC000174625231 402748985 /nfs/dbraw/zinc/74/89/85/402748985.db2.gz GJGGKUVPLVQXJB-OLZOCXBDSA-N 0 3 303.362 2.212 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000194557314 402802545 /nfs/dbraw/zinc/80/25/45/402802545.db2.gz YETJETAYOSRYTN-CYBMUJFWSA-N 0 3 303.362 2.214 20 5 DEBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183630692 402783751 /nfs/dbraw/zinc/78/37/51/402783751.db2.gz PYJLVWFERBPLAJ-VXGBXAGGSA-N 0 3 321.381 2.232 20 5 DEBDHN COc1cc(N2CC[C@H]3CCN(C)C[C@@H]32)c(F)cc1[N+](=O)[O-] ZINC000272176140 402906025 /nfs/dbraw/zinc/90/60/25/402906025.db2.gz JIABTCBEBZDMFQ-YGRLFVJLSA-N 0 3 309.341 2.273 20 5 DEBDHN CCOc1ccc([C@H](C)NCCCOCCO)cc1[N+](=O)[O-] ZINC000272491652 402943907 /nfs/dbraw/zinc/94/39/07/402943907.db2.gz CHMRTJPLHMKCSB-LBPRGKRZSA-N 0 3 312.366 2.043 20 5 DEBDHN CCN(CC)CC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272520338 402947852 /nfs/dbraw/zinc/94/78/52/402947852.db2.gz RRUQANBFPVLQCB-UHFFFAOYSA-N 0 3 313.785 2.249 20 5 DEBDHN CN1CC[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)[C@@H]2C1 ZINC000272568217 402953807 /nfs/dbraw/zinc/95/38/07/402953807.db2.gz FPPZONMQDYNSBL-IINYFYTJSA-N 0 3 323.780 2.414 20 5 DEBDHN C[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@H](C)CN1 ZINC000272588483 402956306 /nfs/dbraw/zinc/95/63/06/402956306.db2.gz PFMYXZAHAXTOKG-NXEZZACHSA-N 0 3 303.318 2.163 20 5 DEBDHN COc1ccc(OCCN2CCC[C@@](C)(OC)C2)c([N+](=O)[O-])c1 ZINC000279251146 402922051 /nfs/dbraw/zinc/92/20/51/402922051.db2.gz HCYKDGWBZISGCP-MRXNPFEDSA-N 0 3 324.377 2.483 20 5 DEBDHN O=[N+]([O-])c1ccc(Cl)cc1CNC[C@@]1(O)CCSC1 ZINC000267027920 403009358 /nfs/dbraw/zinc/00/93/58/403009358.db2.gz KHZTUBJLCKUSCF-LBPRGKRZSA-N 0 3 302.783 2.206 20 5 DEBDHN CC(C)N(Cc1cccs1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266614212 402978859 /nfs/dbraw/zinc/97/88/59/402978859.db2.gz RTJUCRJICGQVOV-ZDUSSCGKSA-N 0 3 324.406 2.124 20 5 DEBDHN CC1=C(C)CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000280812324 403039299 /nfs/dbraw/zinc/03/92/99/403039299.db2.gz TYSMOMOIYJJMIS-HNNXBMFYSA-N 0 3 306.362 2.377 20 5 DEBDHN O=[N+]([O-])c1ccc(CCN(CCCO)Cc2ccccn2)cc1 ZINC000280920192 403049888 /nfs/dbraw/zinc/04/98/88/403049888.db2.gz GGHARNMKIWGODG-UHFFFAOYSA-N 0 3 315.373 2.417 20 5 DEBDHN CS[C@H]1CN(c2ncc([N+](=O)[O-])cc2C)C[C@H]1N1CCCC1 ZINC000274691159 403078881 /nfs/dbraw/zinc/07/88/81/403078881.db2.gz QNPVJHPBSVAHLP-KGLIPLIRSA-N 0 3 322.434 2.314 20 5 DEBDHN COc1cccc(NCCN2CCN(C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000281767464 403089795 /nfs/dbraw/zinc/08/97/95/403089795.db2.gz ZKYCKUOOOBCFPJ-UHFFFAOYSA-N 0 3 322.409 2.041 20 5 DEBDHN CS[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2C)C[C@@H]1N(C)C ZINC000270625212 403206573 /nfs/dbraw/zinc/20/65/73/403206573.db2.gz FGPOXFSLVIYCTH-LSDHHAIUSA-N 0 3 309.435 2.381 20 5 DEBDHN O=[N+]([O-])c1ccc(CN[C@@H](CO)Cc2ccc(F)cc2)cc1 ZINC000271164602 403271899 /nfs/dbraw/zinc/27/18/99/403271899.db2.gz BBAXNGZMQSFGKO-OAHLLOKOSA-N 0 3 304.321 2.427 20 5 DEBDHN C[C@H](NCC1([S@](C)=O)CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284983158 403276394 /nfs/dbraw/zinc/27/63/94/403276394.db2.gz GEKTZSXIDZUNAY-CWKPULSASA-N 0 3 311.407 2.129 20 5 DEBDHN CC[C@H](CO)N(CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000342668142 403302408 /nfs/dbraw/zinc/30/24/08/403302408.db2.gz WTPKBXQPJVFNLG-OAHLLOKOSA-N 0 3 318.377 2.064 20 5 DEBDHN C[C@H]1[C@@H](NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCCN1C ZINC000345329993 403289134 /nfs/dbraw/zinc/28/91/34/403289134.db2.gz WITROBAGOCBCDT-JQWIXIFHSA-N 0 3 316.361 2.289 20 5 DEBDHN Cc1c(CC(=O)N[C@H]2CCN(C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000331245117 403361240 /nfs/dbraw/zinc/36/12/40/403361240.db2.gz LTLXUYVCEXPTEJ-RISCZKNCSA-N 0 3 305.378 2.045 20 5 DEBDHN Cc1ccc(C(=O)N2CC[C@]3(CCN(C)C3)C2)cc1[N+](=O)[O-] ZINC000292227608 403328010 /nfs/dbraw/zinc/32/80/10/403328010.db2.gz NHVMYKDCDWAUFK-INIZCTEOSA-N 0 3 303.362 2.071 20 5 DEBDHN CC(C)(NCCn1ccc([N+](=O)[O-])n1)c1ccccc1[N+](=O)[O-] ZINC000292258864 403336382 /nfs/dbraw/zinc/33/63/82/403336382.db2.gz YIHSLHMQHSJHLO-UHFFFAOYSA-N 0 3 319.321 2.224 20 5 DEBDHN CC1(C)CCCN(CCNc2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000343101117 403462604 /nfs/dbraw/zinc/46/26/04/403462604.db2.gz NDTVAUUSJIGOHT-UHFFFAOYSA-N 0 3 320.393 2.228 20 5 DEBDHN CC(C)NC(=O)c1ccc(N[C@@H](C)CN(C)C)c([N+](=O)[O-])c1 ZINC000286450281 403529142 /nfs/dbraw/zinc/52/91/42/403529142.db2.gz OTXAEMHMZLBBFB-NSHDSACASA-N 0 3 308.382 2.095 20 5 DEBDHN Cc1sccc1CN[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000293557704 403503855 /nfs/dbraw/zinc/50/38/55/403503855.db2.gz LXBSZSMURHSKGU-HUUCEWRRSA-N 0 3 322.386 2.149 20 5 DEBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000299098209 403520523 /nfs/dbraw/zinc/52/05/23/403520523.db2.gz QQNSRAPTMPZIPB-STQMWFEESA-N 0 3 305.378 2.445 20 5 DEBDHN CC[C@@H](C)N[C@@H](CNc1c([N+](=O)[O-])ncn1C)c1ccco1 ZINC000343272694 403521031 /nfs/dbraw/zinc/52/10/31/403521031.db2.gz VMIXVVCVNWUTPZ-MNOVXSKESA-N 0 3 307.354 2.463 20 5 DEBDHN C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000287420287 403595571 /nfs/dbraw/zinc/59/55/71/403595571.db2.gz ZYBVKMVGEYFYKX-DOMZBBRYSA-N 0 3 303.362 2.294 20 5 DEBDHN C[C@@H]1CC[C@H](C)N1CC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000340390546 403601166 /nfs/dbraw/zinc/60/11/66/403601166.db2.gz XYLKGMKFTLAHEK-BETUJISGSA-N 0 3 305.378 2.126 20 5 DEBDHN O=[N+]([O-])c1cccc(N2CCN(CC3(O)CCCC3)CC2)c1 ZINC000332423893 403577923 /nfs/dbraw/zinc/57/79/23/403577923.db2.gz SJQADMDRNGFMRF-UHFFFAOYSA-N 0 3 305.378 2.022 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C2=CCN(C)CC2)c1 ZINC000272933651 292283298 /nfs/dbraw/zinc/28/32/98/292283298.db2.gz LFVIKSWYFDUUCU-LBPRGKRZSA-N 0 3 303.362 2.283 20 5 DEBDHN C[C@H]1CN(CCCCNc2ncccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000301537242 403644265 /nfs/dbraw/zinc/64/42/65/403644265.db2.gz AVRIXSDCPHIKDR-STQMWFEESA-N 0 3 308.382 2.291 20 5 DEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC[C@H](OCCO)C1 ZINC000347340643 403671336 /nfs/dbraw/zinc/67/13/36/403671336.db2.gz PDXCMNWSYSJRBN-SHRNQRGKSA-N 0 3 320.389 2.471 20 5 DEBDHN COc1cc(C[NH2+]C[C@@H]2CCC[C@@H]2OC)c([N+](=O)[O-])cc1[O-] ZINC000341271762 403877803 /nfs/dbraw/zinc/87/78/03/403877803.db2.gz VZSXWBVDNAAXTD-HZMBPMFUSA-N 0 3 310.350 2.214 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCc1cnccn1 ZINC000341378391 403940193 /nfs/dbraw/zinc/94/01/93/403940193.db2.gz PTHWYHPYKTYYLY-UHFFFAOYSA-N 0 3 302.334 2.116 20 5 DEBDHN CCNC(=O)C1(CNCc2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000362986479 404032310 /nfs/dbraw/zinc/03/23/10/404032310.db2.gz LNDCWJFEFNECRO-UHFFFAOYSA-N 0 3 309.341 2.130 20 5 DEBDHN C[C@H](C(=O)N[C@@H]1CCCN(C)[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000347958703 403977493 /nfs/dbraw/zinc/97/74/93/403977493.db2.gz OOQKZZKJFPYOSY-FIXISWKDSA-N 0 3 323.368 2.436 20 5 DEBDHN C[C@H]1C[C@@H](Nc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CCN1C ZINC000322687814 404086650 /nfs/dbraw/zinc/08/66/50/404086650.db2.gz IPGUQBMALNYGPW-UWVGGRQHSA-N 0 3 317.349 2.138 20 5 DEBDHN Cc1cc(N2CCN([C@@H]3CCCN(C)C3)CC2)ccc1[N+](=O)[O-] ZINC000369355749 404059689 /nfs/dbraw/zinc/05/96/89/404059689.db2.gz RYZRPPHEQBOSSQ-MRXNPFEDSA-N 0 3 318.421 2.119 20 5 DEBDHN C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)[C@H](c1ccccc1)N(C)C ZINC000349797398 404204424 /nfs/dbraw/zinc/20/44/24/404204424.db2.gz BUWMEIVXIVALQZ-IAQYHMDHSA-N 0 3 316.361 2.344 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCc2c[nH]nc2C1 ZINC000369834829 404244244 /nfs/dbraw/zinc/24/42/44/404244244.db2.gz LWRBNYRLCQPGFF-CYBMUJFWSA-N 0 3 316.361 2.364 20 5 DEBDHN CN(C)CC1(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000412323125 404245844 /nfs/dbraw/zinc/24/58/44/404245844.db2.gz RIVULYRAKSRMIX-LSDHHAIUSA-N 0 3 317.389 2.299 20 5 DEBDHN CC(C)N1C[C@@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1=O ZINC000567406632 292311531 /nfs/dbraw/zinc/31/15/31/292311531.db2.gz NOORNXAGXHGIGB-SMDDNHRTSA-N 0 3 303.362 2.181 20 5 DEBDHN CN(CCN1CCCC1)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000342083499 404354786 /nfs/dbraw/zinc/35/47/86/404354786.db2.gz ZZJQAHHIXVRDMA-UHFFFAOYSA-N 0 3 307.379 2.132 20 5 DEBDHN COc1ccc(CN[C@@H](C2CC2)C(C)(C)CO)cc1[N+](=O)[O-] ZINC000290774597 404307203 /nfs/dbraw/zinc/30/72/03/404307203.db2.gz CLNQUCYMGTVAOD-HNNXBMFYSA-N 0 3 308.378 2.490 20 5 DEBDHN CO[C@H]1C[C@H](NCc2cc([N+](=O)[O-])cc3c2OCOC3)C1(C)C ZINC000344695444 404313747 /nfs/dbraw/zinc/31/37/47/404313747.db2.gz JKSMYPABCDMLOJ-KBPBESRZSA-N 0 3 322.361 2.364 20 5 DEBDHN O=[N+]([O-])c1ccccc1/C=C\CNC[C@@H]1CCCS(=O)(=O)C1 ZINC000342192707 404432376 /nfs/dbraw/zinc/43/23/76/404432376.db2.gz BWWFUYPLRZQQPW-QTEJZOKPSA-N 0 3 324.402 2.022 20 5 DEBDHN CCS(=O)(=O)CCCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000414346265 404584037 /nfs/dbraw/zinc/58/40/37/404584037.db2.gz PWKSFTJHFNXDKU-NSHDSACASA-N 0 3 300.380 2.070 20 5 DEBDHN CO[C@@H]([C@H](C)N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000414177345 404536446 /nfs/dbraw/zinc/53/64/46/404536446.db2.gz IGTHURFGDVXTHA-RWSFTLGLSA-N 0 3 321.377 2.325 20 5 DEBDHN O=[N+]([O-])c1cccc(OCCN2CC[C@H](n3cccn3)C2)c1 ZINC000291827982 404540654 /nfs/dbraw/zinc/54/06/54/404540654.db2.gz OBAHKLGTLISPMK-AWEZNQCLSA-N 0 3 302.334 2.117 20 5 DEBDHN C[C@]1(F)CNCCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000414782378 404734162 /nfs/dbraw/zinc/73/41/62/404734162.db2.gz XKPDWOKWKFLAQE-ZDUSSCGKSA-N 0 3 301.749 2.382 20 5 DEBDHN O=C([N-]c1nc(C2CC[NH2+]CC2)cs1)c1ccc([N+](=O)[O-])o1 ZINC000423978757 404957413 /nfs/dbraw/zinc/95/74/13/404957413.db2.gz NPUCNRJZXAJBRP-UHFFFAOYSA-N 0 3 322.346 2.364 20 5 DEBDHN COC[C@]1(C(=O)OC)CCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000451340058 404960784 /nfs/dbraw/zinc/96/07/84/404960784.db2.gz VZKHTSYDCRUUDM-WBMJQRKESA-N 0 3 322.361 2.167 20 5 DEBDHN CC(C)c1ccc(CNC[C@H]2CC[C@@H](CO)O2)cc1[N+](=O)[O-] ZINC000353693643 404924959 /nfs/dbraw/zinc/92/49/59/404924959.db2.gz XLRSWIYWUAMIRX-KGLIPLIRSA-N 0 3 308.378 2.348 20 5 DEBDHN COC(=O)COc1ccc(CN[C@H]2CC2(C)C)cc1[N+](=O)[O-] ZINC000353733786 404945854 /nfs/dbraw/zinc/94/58/54/404945854.db2.gz BCXWDFQWYMGROX-ZDUSSCGKSA-N 0 3 308.334 2.035 20 5 DEBDHN O=[N+]([O-])c1cnn(CCNCc2cc3c(cccc3F)[nH]2)c1 ZINC000436299842 405068964 /nfs/dbraw/zinc/06/89/64/405068964.db2.gz SRDJOKQECPJMAK-UHFFFAOYSA-N 0 3 303.297 2.202 20 5 DEBDHN CNc1ccc(C(=O)N2CCCC[C@H]2CN(C)C)cc1[N+](=O)[O-] ZINC000404925739 405069594 /nfs/dbraw/zinc/06/95/94/405069594.db2.gz JSAXDYIKEIYPFA-ZDUSSCGKSA-N 0 3 320.393 2.193 20 5 DEBDHN CN1CC[C@H]2CCN(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)[C@H]2C1 ZINC000408277195 405159689 /nfs/dbraw/zinc/15/96/89/405159689.db2.gz NQFLMLNSDIZLLX-HZMBPMFUSA-N 0 3 322.340 2.292 20 5 DEBDHN CC1(C)CN(CCOc2cccc([N+](=O)[O-])c2)[C@@H]2COC[C@@H]21 ZINC000452100053 405166144 /nfs/dbraw/zinc/16/61/44/405166144.db2.gz BULBOKWWVSGVAA-LSDHHAIUSA-N 0 3 306.362 2.330 20 5 DEBDHN COCC(C)(C)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000426400690 405357495 /nfs/dbraw/zinc/35/74/95/405357495.db2.gz JVWHTQTXZZDAMJ-UHFFFAOYSA-N 0 3 307.394 2.389 20 5 DEBDHN CC(C)[C@@H](CC(F)(F)F)NCCn1cc([N+](=O)[O-])ccc1=O ZINC000445902923 405362030 /nfs/dbraw/zinc/36/20/30/405362030.db2.gz HQIWXCADXGHVFF-LLVKDONJSA-N 0 3 321.299 2.323 20 5 DEBDHN COC(=O)COc1ccc(CN(C)[C@H]2CC2(C)C)cc1[N+](=O)[O-] ZINC000426537952 405367791 /nfs/dbraw/zinc/36/77/91/405367791.db2.gz HQQSTZCIYMFLMG-AWEZNQCLSA-N 0 3 322.361 2.377 20 5 DEBDHN C[C@@H](C(=O)N(C)C[C@H]1CCCN1C)c1ccc([N+](=O)[O-])cc1F ZINC000421710416 405606071 /nfs/dbraw/zinc/60/60/71/405606071.db2.gz KMKAFCVKAWWJJB-DGCLKSJQSA-N 0 3 323.368 2.390 20 5 DEBDHN CNC(=O)C[C@H](C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000449601080 405634888 /nfs/dbraw/zinc/63/48/88/405634888.db2.gz LYYRXVJDWHVIOL-NSHDSACASA-N 0 3 317.345 2.469 20 5 DEBDHN CN(C[C@@H]1CCCN1C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000421699655 405593991 /nfs/dbraw/zinc/59/39/91/405593991.db2.gz BSBKYXBWBCNHTB-LBPRGKRZSA-N 0 3 311.769 2.414 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000421772932 405640746 /nfs/dbraw/zinc/64/07/46/405640746.db2.gz HVEJRBJGHHNILV-CHWSQXEVSA-N 0 3 305.378 2.424 20 5 DEBDHN C[C@H]1CCN[C@H](C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000423168938 405709531 /nfs/dbraw/zinc/70/95/31/405709531.db2.gz VMCHJXHEBXSCER-BBRMVZONSA-N 0 3 319.405 2.422 20 5 DEBDHN CC[C@H]1CN(CCN[C@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000494463949 405703991 /nfs/dbraw/zinc/70/39/91/405703991.db2.gz ICHWQYOXVFODAH-CJNGLKHVSA-N 0 3 307.394 2.356 20 5 DEBDHN CC[C@H](C)N1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000450852942 405983142 /nfs/dbraw/zinc/98/31/42/405983142.db2.gz AOFOUIIWCDDQDR-LBPRGKRZSA-N 0 3 315.377 2.459 20 5 DEBDHN CN(C(=O)CN[C@H]1CCC[C@@H]2C[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000459768041 406038555 /nfs/dbraw/zinc/03/85/55/406038555.db2.gz FUSDCVPUMFOQCW-UGFHNGPFSA-N 0 3 303.362 2.336 20 5 DEBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)CN1CCC(C)(C)C1 ZINC000515433277 406069386 /nfs/dbraw/zinc/06/93/86/406069386.db2.gz QWBWCQRRHLUSNO-UHFFFAOYSA-N 0 3 319.405 2.328 20 5 DEBDHN COCCN(CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCO[C@H]1C ZINC000489459578 406408084 /nfs/dbraw/zinc/40/80/84/406408084.db2.gz CLUPWVIVZLBLKZ-BBRMVZONSA-N 0 3 324.377 2.099 20 5 DEBDHN C[C@@H]1C[C@H](NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CCN1C ZINC000491908839 406773346 /nfs/dbraw/zinc/77/33/46/406773346.db2.gz YBNFPLSDDGAJGA-WQYAIIHGSA-N 0 3 303.362 2.207 20 5 DEBDHN CCN1CCC[C@@H]1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134517639 196398723 /nfs/dbraw/zinc/39/87/23/196398723.db2.gz DQUFWGWMYMXPDL-GFCCVEGCSA-N 0 3 311.769 2.462 20 5 DEBDHN C[C@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)N1CCC[C@@H](C)C1 ZINC000299227743 229006427 /nfs/dbraw/zinc/00/64/27/229006427.db2.gz CLTLHPPFUPQXJZ-VXGBXAGGSA-N 0 3 320.393 2.027 20 5 DEBDHN CCN1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000273490736 424890342 /nfs/dbraw/zinc/89/03/42/424890342.db2.gz SKRXYIOWZWTHHX-UHFFFAOYSA-N 0 3 310.329 2.293 20 5 DEBDHN CC(C)Oc1nc(N[C@@H](C)C2=CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000580785110 424969849 /nfs/dbraw/zinc/96/98/49/424969849.db2.gz OPWIQXHJPFVTPK-LBPRGKRZSA-N 0 3 320.393 2.839 20 5 DEBDHN C[C@@H]1CSC[C@H]1N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000507222647 269315875 /nfs/dbraw/zinc/31/58/75/269315875.db2.gz VUUCVRRFMHWIPZ-LERXQTSPSA-N 0 3 321.402 2.041 20 5 DEBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@H]2CCCN2C)c1 ZINC000421703776 274188845 /nfs/dbraw/zinc/18/88/45/274188845.db2.gz NACFAGCDGSCOTO-LLVKDONJSA-N 0 3 323.418 2.483 20 5 DEBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)N(C)C ZINC000361120867 276574683 /nfs/dbraw/zinc/57/46/83/276574683.db2.gz DRBNTJXOAOLHFB-GXTWGEPZSA-N 0 3 307.394 2.230 20 5 DEBDHN CN1CC[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC000272634260 277175775 /nfs/dbraw/zinc/17/57/75/277175775.db2.gz NMEZAQXYVGJZCH-HZMBPMFUSA-N 0 3 323.780 2.414 20 5 DEBDHN COC(=O)CC1(NCc2ccc(OC)c([N+](=O)[O-])c2)CCC1 ZINC000347688806 277315023 /nfs/dbraw/zinc/31/50/23/277315023.db2.gz RMYIHMAYHBMZPL-UHFFFAOYSA-N 0 3 308.334 2.179 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(N2CCC(OCCN(C)C)CC2)c1 ZINC000338667512 277937457 /nfs/dbraw/zinc/93/74/57/277937457.db2.gz IZFKHHJDFORWDV-UHFFFAOYSA-N 0 3 323.393 2.150 20 5 DEBDHN C[C@@H](CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)N1CCOCC1 ZINC000192634787 278285425 /nfs/dbraw/zinc/28/54/25/278285425.db2.gz WQFLWHHDEGWUSZ-SUMWQHHRSA-N 0 3 319.405 2.283 20 5 DEBDHN C[C@H]1CCN(C)CCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342919469 278366233 /nfs/dbraw/zinc/36/62/33/278366233.db2.gz HNKFFUXYJMCBJA-NSHDSACASA-N 0 3 316.361 2.242 20 5 DEBDHN Cn1c(C(=O)N2CCC[C@H]2CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000340644087 279305654 /nfs/dbraw/zinc/30/56/54/279305654.db2.gz XLXHHUOQAHGITR-ZDUSSCGKSA-N 0 3 320.393 2.024 20 5 DEBDHN Cc1cnc(N(CCN(C)C)Cc2ccccn2)c([N+](=O)[O-])c1 ZINC000433421674 302345968 /nfs/dbraw/zinc/34/59/68/302345968.db2.gz PGVUCQYEQHISSJ-UHFFFAOYSA-N 0 3 315.377 2.261 20 5 DEBDHN C[C@@H]1C[C@@H](NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CO1 ZINC000576754823 326316324 /nfs/dbraw/zinc/31/63/24/326316324.db2.gz KDZXFCSRGFNXBA-BXUZGUMPSA-N 0 3 316.361 2.262 20 5 DEBDHN CC(C)C(=O)NCCN(C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000157330295 519491316 /nfs/dbraw/zinc/49/13/16/519491316.db2.gz NIPWETBWGQJAGR-UHFFFAOYSA-N 0 3 323.393 2.068 20 5 DEBDHN CCCNC(=O)CN[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000158288175 519880267 /nfs/dbraw/zinc/88/02/67/519880267.db2.gz OBBXHSMSCAHMRR-AWEZNQCLSA-N 0 3 305.378 2.032 20 5 DEBDHN COc1ccc(OCCN2CCC[C@@H](C)[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000338165837 524953788 /nfs/dbraw/zinc/95/37/88/524953788.db2.gz JOUPJAXDTGFFQC-DOMZBBRYSA-N 0 3 324.377 2.075 20 5 DEBDHN CCN1CCC(N(C)C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000330900124 528969465 /nfs/dbraw/zinc/96/94/65/528969465.db2.gz OFUAOGAVWHUBAY-UHFFFAOYSA-N 0 3 305.378 2.080 20 5 DEBDHN CCOc1ccc([C@@H](C)NC[C@@]2(C)CCC(=O)N2)cc1[N+](=O)[O-] ZINC000453447105 535412041 /nfs/dbraw/zinc/41/20/41/535412041.db2.gz ZBOYEIQBRJBSTI-BDJLRTHQSA-N 0 3 321.377 2.313 20 5 DEBDHN CNC(=O)[C@H]1CCC[C@@H]1NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000348168364 536390846 /nfs/dbraw/zinc/39/08/46/536390846.db2.gz QYDLVPMKDRRDIV-RYUDHWBXSA-N 0 3 311.769 2.253 20 5 DEBDHN Cc1ccc(CN2CCCCCNC(=O)CC2)cc1[N+](=O)[O-] ZINC000934153688 624754776 /nfs/dbraw/zinc/75/47/76/624754776.db2.gz LBAYWNDMDUXKGN-UHFFFAOYSA-N 0 3 305.378 2.395 20 5 DEBDHN C[C@H](NC(=O)N[C@@H]1CCN(C)[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000922645426 636293810 /nfs/dbraw/zinc/29/38/10/636293810.db2.gz KKHQAZDFZMCDJL-COPLHBTASA-N 0 3 306.366 2.048 20 5 DEBDHN COCCC1([NH2+]Cc2ccc([O-])c(OC)c2[N+](=O)[O-])CCC1 ZINC000894169278 636366459 /nfs/dbraw/zinc/36/64/59/636366459.db2.gz FNVBPMDTMBJKFS-UHFFFAOYSA-N 0 3 310.350 2.358 20 5 DEBDHN COc1cc(C[NH2+]C[C@@]2(C)CCCCO2)c([N+](=O)[O-])cc1[O-] ZINC000922816275 636425505 /nfs/dbraw/zinc/42/55/05/636425505.db2.gz IDZGRAZXXFPFMO-OAHLLOKOSA-N 0 3 310.350 2.358 20 5 DEBDHN C[C@@]1(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CCCCO1 ZINC000922815708 636425697 /nfs/dbraw/zinc/42/56/97/636425697.db2.gz FGAFTHICNBXQLY-INIZCTEOSA-N 0 3 322.361 2.415 20 5 DEBDHN COc1c([O-])ccc(C[NH2+]C[C@@H]2CCOC[C@@H]2C)c1[N+](=O)[O-] ZINC000894420105 637030446 /nfs/dbraw/zinc/03/04/46/637030446.db2.gz NPHYSWHZHIMSEV-QWRGUYRKSA-N 0 3 310.350 2.071 20 5 DEBDHN COc1ccc(CNCCO[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000894801324 637214575 /nfs/dbraw/zinc/21/45/75/637214575.db2.gz XADHUMMLDAYITF-HNNXBMFYSA-N 0 3 310.350 2.236 20 5 DEBDHN COCC1(CC[NH2+]Cc2ccc([O-])c(OC)c2[N+](=O)[O-])CC1 ZINC000895091978 637542317 /nfs/dbraw/zinc/54/23/17/637542317.db2.gz SYIDEWYRNXCBAK-UHFFFAOYSA-N 0 3 310.350 2.215 20 5 DEBDHN Cc1cnc(NC2CCN(C[C@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000742428576 638071643 /nfs/dbraw/zinc/07/16/43/638071643.db2.gz ALSVSNJROBMHOV-CQSZACIVSA-N 0 3 320.393 2.354 20 5 DEBDHN CC(C)NC(=O)c1ccc(N[C@H]2CCN(C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000895739002 638170820 /nfs/dbraw/zinc/17/08/20/638170820.db2.gz VDTOYBAKJRHGRG-AAEUAGOBSA-N 0 3 320.393 2.238 20 5 DEBDHN O=[N+]([O-])c1ccc2oc(CNC[C@@H]3C=C[C@H]4C[C@@H]3CO4)nc2c1 ZINC000896850652 638722634 /nfs/dbraw/zinc/72/26/34/638722634.db2.gz LJQKRPVMBCZCRX-LOWVWBTDSA-N 0 3 315.329 2.417 20 5 DEBDHN Cc1cc(N2CC[C@H]3[C@H]2CCCN3CCO)c(F)cc1[N+](=O)[O-] ZINC000897219576 639250858 /nfs/dbraw/zinc/25/08/58/639250858.db2.gz LLTFWXSOFQNLOO-UONOGXRCSA-N 0 3 323.368 2.078 20 5 DEBDHN O=[N+]([O-])c1ccc(CN[C@@H](CO)C[C@@H](O)c2ccccc2)cc1 ZINC000754079609 639382656 /nfs/dbraw/zinc/38/26/56/639382656.db2.gz JKXXYMNJQDLDIV-NVXWUHKLSA-N 0 3 316.357 2.169 20 5 DEBDHN Cn1nnc2c1C[C@@H](NCc1ccc(Cl)cc1[N+](=O)[O-])CC2 ZINC000897348994 639541241 /nfs/dbraw/zinc/54/12/41/639541241.db2.gz PYSYHDWXWUNYNU-NSHDSACASA-N 0 3 321.768 2.024 20 5 DEBDHN Cc1nc([C@@H]2CCN(Cc3ccc([N+](=O)[O-])c(F)c3)C2)n[nH]1 ZINC000839658347 639781149 /nfs/dbraw/zinc/78/11/49/639781149.db2.gz FCLSZBUOSGQZEX-LLVKDONJSA-N 0 3 305.313 2.150 20 5 DEBDHN Cc1n[nH]c([C@@H]2CCN(Cc3ccc([N+](=O)[O-])c(F)c3)C2)n1 ZINC000839658347 639781151 /nfs/dbraw/zinc/78/11/51/639781151.db2.gz FCLSZBUOSGQZEX-LLVKDONJSA-N 0 3 305.313 2.150 20 5 DEBDHN Cc1nnc([C@@H]2CCN(Cc3ccc([N+](=O)[O-])c(F)c3)C2)[nH]1 ZINC000839658347 639781153 /nfs/dbraw/zinc/78/11/53/639781153.db2.gz FCLSZBUOSGQZEX-LLVKDONJSA-N 0 3 305.313 2.150 20 5 DEBDHN C[C@@H](CC[S@](C)=O)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761528270 640321378 /nfs/dbraw/zinc/32/13/78/640321378.db2.gz PVUZRLNTMPCENM-UGZDLDLSSA-N 0 3 304.799 2.495 20 5 DEBDHN Cc1c(CN2CCC(c3nncn3C)CC2)cccc1[N+](=O)[O-] ZINC000729919710 640855982 /nfs/dbraw/zinc/85/59/82/640855982.db2.gz AIRUSYLHLUQTRZ-UHFFFAOYSA-N 0 3 315.377 2.411 20 5 DEBDHN O=C(C(F)F)N1CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC000989827930 641249411 /nfs/dbraw/zinc/24/94/11/641249411.db2.gz HYRWRJMLNQQHFH-UHFFFAOYSA-N 0 3 319.333 2.002 20 5 DEBDHN C[C@H](COC(=O)c1cccc(CN2CCCCC2)c1)[N+](=O)[O-] ZINC000842363974 650718109 /nfs/dbraw/zinc/71/81/09/650718109.db2.gz QKHGGXTXKMEESM-CYBMUJFWSA-N 0 3 306.362 2.495 20 5 DEBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCN(C3CCCC3)CC2)cc1 ZINC000776277847 642153118 /nfs/dbraw/zinc/15/31/18/642153118.db2.gz QDCRRMFADSGTEC-QGZVFWFLSA-N 0 3 319.405 2.188 20 5 DEBDHN Cc1ccsc1[C@@H](CO)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000778160368 642345823 /nfs/dbraw/zinc/34/58/23/642345823.db2.gz UMTNSCRVSVORLR-KGLIPLIRSA-N 0 3 322.386 2.321 20 5 DEBDHN Cc1ccsc1[C@H](CO)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000778165949 642346668 /nfs/dbraw/zinc/34/66/68/642346668.db2.gz VLBNBICWRWTNJL-KBPBESRZSA-N 0 3 322.386 2.321 20 5 DEBDHN COc1cc([C@H](C)N[C@H](C)CO[C@H]2CCOC2)cc([N+](=O)[O-])c1 ZINC000903111555 643253146 /nfs/dbraw/zinc/25/31/46/643253146.db2.gz WEQGMDXFCJMUIU-XUJVJEKNSA-N 0 3 324.377 2.448 20 5 DEBDHN COCC[C@@H](COC)N[C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903173486 643276875 /nfs/dbraw/zinc/27/68/75/643276875.db2.gz ZNZCTYXDNIJJNL-YPMHNXCESA-N 0 3 312.366 2.306 20 5 DEBDHN Cc1c(Cc2noc([C@@]3(C)CCCN3)n2)cccc1[N+](=O)[O-] ZINC000904628887 643709640 /nfs/dbraw/zinc/70/96/40/643709640.db2.gz XFFIPMOAVZDQNU-OAHLLOKOSA-N 0 3 302.334 2.476 20 5 DEBDHN Cc1c(CNC[C@H](O)CC2(O)CCCCC2)cccc1[N+](=O)[O-] ZINC000905234448 643845638 /nfs/dbraw/zinc/84/56/38/643845638.db2.gz ZHCMFFTURYISOE-OAHLLOKOSA-N 0 3 322.405 2.439 20 5 DEBDHN C=C/C=C/CCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000905424103 643908902 /nfs/dbraw/zinc/90/89/02/643908902.db2.gz XIFPYYMDNWAGSB-ONEGZZNKSA-N 0 3 310.375 2.090 20 5 DEBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCCN1CC[C@@H](C)C1 ZINC000843809784 651033795 /nfs/dbraw/zinc/03/37/95/651033795.db2.gz ABWDDYHNHZMJGH-SNVBAGLBSA-N 0 3 309.341 2.114 20 5 DEBDHN C[C@H](COC(=O)C1CCN(Cc2ccccc2)CC1)[N+](=O)[O-] ZINC000813099850 646728046 /nfs/dbraw/zinc/72/80/46/646728046.db2.gz FKBWSTCLCVUXLT-CYBMUJFWSA-N 0 3 306.362 2.107 20 5 DEBDHN CC(COC(=O)Cc1ccc(OC(F)(F)F)cc1)[N+](=O)[O-] ZINC000813102791 646728597 /nfs/dbraw/zinc/72/85/97/646728597.db2.gz VRTBYKMQHHUVMG-QMMMGPOBSA-N 0 3 307.224 2.336 20 5 DEBDHN CC(COC(=O)[C@@H](OC1CCOCC1)c1ccccc1)[N+](=O)[O-] ZINC000813106498 646729662 /nfs/dbraw/zinc/72/96/62/646729662.db2.gz CSPLJCWTSXMHLH-WFASDCNBSA-N 0 3 323.345 2.132 20 5 DEBDHN COc1ccc(C(C)(C)C(=O)OCC(C)[N+](=O)[O-])cc1OC ZINC000813110572 646731649 /nfs/dbraw/zinc/73/16/49/646731649.db2.gz DQVOUQAENZLUEU-SNVBAGLBSA-N 0 3 311.334 2.190 20 5 DEBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])nnn1-c1ccccc1Cl ZINC000813114835 646732216 /nfs/dbraw/zinc/73/22/16/646732216.db2.gz WYCQGXOHYIXJJE-MRVPVSSYSA-N 0 3 324.724 2.051 20 5 DEBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCCC1 ZINC000929458241 646828144 /nfs/dbraw/zinc/82/81/44/646828144.db2.gz ODTSIXGNWTZXHN-UHFFFAOYSA-N 0 3 309.391 2.142 20 5 DEBDHN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN[C@H](CO)C2CC2)c1 ZINC000815090354 646965820 /nfs/dbraw/zinc/96/58/20/646965820.db2.gz JUEJLAWKKBOZPM-GFCCVEGCSA-N 0 3 304.268 2.474 20 5 DEBDHN CC(COC(=O)[C@H](C)Cc1cnc2ccccc2n1)[N+](=O)[O-] ZINC000816091336 647089770 /nfs/dbraw/zinc/08/97/70/647089770.db2.gz SQBJTEMNZACAHZ-MNOVXSKESA-N 0 3 303.318 2.017 20 5 DEBDHN CCN1CCC[C@H](NC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000914316051 647260486 /nfs/dbraw/zinc/26/04/86/647260486.db2.gz HORVHGNVJSIGQD-OCCSQVGLSA-N 0 3 320.393 2.439 20 5 DEBDHN CC(C)[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CCN1 ZINC000826762007 648923112 /nfs/dbraw/zinc/92/31/12/648923112.db2.gz CVJRLLYFIKTVFU-XHSDSOJGSA-N 0 3 317.389 2.155 20 5 DEBDHN CC(C)[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CCN1 ZINC000826762002 648923163 /nfs/dbraw/zinc/92/31/63/648923163.db2.gz CVJRLLYFIKTVFU-JYJNAYRXSA-N 0 3 317.389 2.155 20 5 DEBDHN Cc1nn(C)cc1C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845874391 651291317 /nfs/dbraw/zinc/29/13/17/651291317.db2.gz ICGCDPPKBKPYKH-QMTHXVAHSA-N 0 3 321.308 2.431 20 5 DEBDHN CC([C@H](OC(=O)Cc1cncnc1)c1ccccc1F)[N+](=O)[O-] ZINC000845876262 651291651 /nfs/dbraw/zinc/29/16/51/651291651.db2.gz BSBKLWMYLDWXBV-BMIGLBTASA-N 0 3 319.292 2.108 20 5 DEBDHN CC([C@H](OC(=O)Cc1cncnc1)c1ccccc1F)[N+](=O)[O-] ZINC000845876265 651291741 /nfs/dbraw/zinc/29/17/41/651291741.db2.gz BSBKLWMYLDWXBV-BONVTDFDSA-N 0 3 319.292 2.108 20 5 DEBDHN CC([C@@H](OC(=O)Cc1ccnn1C)c1ccccc1F)[N+](=O)[O-] ZINC000845884110 651292031 /nfs/dbraw/zinc/29/20/31/651292031.db2.gz XMYRVJOEJHQEAK-ZUZCIYMTSA-N 0 3 321.308 2.051 20 5 DEBDHN O=C(N[C@H]1CCCN2CCCC[C@H]12)c1cc([N+](=O)[O-])ccc1F ZINC000847255847 651384876 /nfs/dbraw/zinc/38/48/76/651384876.db2.gz MPNDFNHIUVEKSS-LSDHHAIUSA-N 0 3 321.352 2.481 20 5 DEBDHN CN(C[C@H]1CCCOC1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000107670639 651467449 /nfs/dbraw/zinc/46/74/49/651467449.db2.gz JIZYFQCBHYLVSI-GFCCVEGCSA-N 0 3 304.350 2.260 20 5 DEBDHN COC(=O)C1=CC[C@@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000858471079 652344775 /nfs/dbraw/zinc/34/47/75/652344775.db2.gz QUIDSKHAUUIBGA-RISCZKNCSA-N 0 3 302.330 2.434 20 5 DEBDHN CN(C[C@@H]1CCCN1C)C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000160456298 684328042 /nfs/dbraw/zinc/32/80/42/684328042.db2.gz QEIDRJOGLMLPFU-JTQLQIEISA-N 0 3 311.769 2.414 20 5 DEBDHN COc1ccc(CC(=O)OCC(C)[N+](=O)[O-])cc1OC(F)F ZINC000860777348 685960026 /nfs/dbraw/zinc/96/00/26/685960026.db2.gz NSYHIWRASZVGOL-MRVPVSSYSA-N 0 3 319.260 2.048 20 5 DEBDHN CC(COC(=O)c1ccc(O[C@@H]2CC2(F)F)cc1)[N+](=O)[O-] ZINC000860776131 685960154 /nfs/dbraw/zinc/96/01/54/685960154.db2.gz BXNKDCWGWVMWMI-GZMMTYOYSA-N 0 3 301.245 2.295 20 5 DEBDHN CC(C)[C@H]1CN(c2cc(F)c([N+](=O)[O-])cc2CO)CCN1C ZINC000866215675 687495619 /nfs/dbraw/zinc/49/56/19/687495619.db2.gz NDBBBDGVCNDCBZ-OAHLLOKOSA-N 0 3 311.357 2.003 20 5 DEBDHN CCN1C[C@@H](CN[C@H](C)c2c(F)cccc2[N+](=O)[O-])CC1=O ZINC000872085531 688924186 /nfs/dbraw/zinc/92/41/86/688924186.db2.gz ZQZSNVBVFOGQLU-GHMZBOCLSA-N 0 3 309.341 2.253 20 5 DEBDHN CC1(C)[C@H]2[C@H](CCCN2C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1O ZINC000872259165 688966307 /nfs/dbraw/zinc/96/63/07/688966307.db2.gz MYPWYKYSLZOXFI-JONQDZQNSA-N 0 3 320.389 2.110 20 5 DEBDHN CC(C)(C)OC(=O)N1CC[C@@H](NCC[N+](=O)[O-])C12CCCC2 ZINC000930827708 694250560 /nfs/dbraw/zinc/25/05/60/694250560.db2.gz KZXMJMJTCFKUAI-GFCCVEGCSA-N 0 3 313.398 2.175 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000930861749 694257496 /nfs/dbraw/zinc/25/74/96/694257496.db2.gz GCFQLTBDBYSDRV-NWDGAFQWSA-N 0 3 306.366 2.426 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN[C@H](C)[C@H]1CN(C)CCO1 ZINC000873081800 689155931 /nfs/dbraw/zinc/15/59/31/689155931.db2.gz RLGKUYXGNQEVFV-CZUORRHYSA-N 0 3 307.394 2.020 20 5 DEBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000874823137 689499947 /nfs/dbraw/zinc/49/99/47/689499947.db2.gz GAMUWEAVBWABNW-QWHCGFSZSA-N 0 3 321.352 2.351 20 5 DEBDHN CCc1ccc(C(=O)N2CC[C@H]3[C@H]2CCCN3C)cc1[N+](=O)[O-] ZINC000874838059 689511095 /nfs/dbraw/zinc/51/10/95/689511095.db2.gz MHPKYMOHCHXOOY-LSDHHAIUSA-N 0 3 317.389 2.466 20 5 DEBDHN Cc1c(C(=O)N2CC[C@@H]3[C@H]2CCCN3C)cccc1[N+](=O)[O-] ZINC000874849608 689519151 /nfs/dbraw/zinc/51/91/51/689519151.db2.gz KKWQQPMEZUKING-HUUCEWRRSA-N 0 3 303.362 2.212 20 5 DEBDHN COc1cnc(F)c(CNCCc2cccc([N+](=O)[O-])c2)c1 ZINC000877124130 690023912 /nfs/dbraw/zinc/02/39/12/690023912.db2.gz ITMRAIUACAZRSX-UHFFFAOYSA-N 0 3 305.309 2.470 20 5 DEBDHN Cn1cc(CNC2CSC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000877635156 690174322 /nfs/dbraw/zinc/17/43/22/690174322.db2.gz GKUCKNJYRFKNTO-UHFFFAOYSA-N 0 3 304.375 2.200 20 5 DEBDHN C[C@H]1[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CCN1C ZINC000931297334 694359319 /nfs/dbraw/zinc/35/93/19/694359319.db2.gz IBBSRMWTPHGUML-DTWKUNHWSA-N 0 3 312.757 2.462 20 5 DEBDHN CCN1[C@H](C)CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000878835676 690510222 /nfs/dbraw/zinc/51/02/22/690510222.db2.gz CTFDUMNWOQZPSD-DVOMOZLQSA-N 0 3 307.394 2.043 20 5 DEBDHN C[C@](CO)(NC[C@@H]1CCC2(CCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000879273372 690608005 /nfs/dbraw/zinc/60/80/05/690608005.db2.gz UMHGTNFAQOKWIP-JKSUJKDBSA-N 0 3 320.389 2.494 20 5 DEBDHN O=[N+]([O-])c1c(F)nccc1NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000881805744 691165477 /nfs/dbraw/zinc/16/54/77/691165477.db2.gz QQEZWYFKLFIBBV-LBPRGKRZSA-N 0 3 324.356 2.184 20 5 DEBDHN CC(C)CC[C@@H](CO)NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000883187413 691452299 /nfs/dbraw/zinc/45/22/99/691452299.db2.gz NNNIFMJNUSVVGF-ZDUSSCGKSA-N 0 3 324.377 2.253 20 5 DEBDHN C[C@](CO)(NC[C@@H]1CC[C@H](C2CC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000886307583 692050804 /nfs/dbraw/zinc/05/08/04/692050804.db2.gz WOFLRGCKSMXCOR-GVDBMIGSSA-N 0 3 320.389 2.350 20 5 DEBDHN COC(=O)[C@H]1CC[C@H](NCc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000886522050 692100098 /nfs/dbraw/zinc/10/00/98/692100098.db2.gz BCEOULQKVHUGTI-JQWIXIFHSA-N 0 3 308.334 2.035 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000931922636 694507214 /nfs/dbraw/zinc/50/72/14/694507214.db2.gz JRJDMENVLDKKSI-DOTOQJQBSA-N 0 3 312.373 2.373 20 5 DEBDHN C[C@@H](NC[C@H](O)C[C@](C)(O)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000932179239 694568725 /nfs/dbraw/zinc/56/87/25/694568725.db2.gz WNUKDELNKWNCSW-LYRGGWFBSA-N 0 3 308.378 2.157 20 5 DEBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@H](Cc3nccs3)C2)n1 ZINC000932201955 694572947 /nfs/dbraw/zinc/57/29/47/694572947.db2.gz RRPZSRHJHQBWCI-GFCCVEGCSA-N 0 3 321.406 2.203 20 5 DEBDHN C[C@@H](NC(=O)N[C@H]1CCN(C)[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000925252406 693246928 /nfs/dbraw/zinc/24/69/28/693246928.db2.gz KKHQAZDFZMCDJL-GYSYKLTISA-N 0 3 306.366 2.048 20 5 DEBDHN C[C@@H](NC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000927041883 693545060 /nfs/dbraw/zinc/54/50/60/693545060.db2.gz HJZWOPDSBCHIID-WAEYWBMLSA-N 0 3 324.402 2.354 20 5 DEBDHN CC[C@@H](C)N[C@@H](CNc1c([N+](=O)[O-])cnn1C)c1ccco1 ZINC001333766139 1150088875 /nfs/dbraw/zinc/08/88/75/1150088875.db2.gz BRICIVBJYHGIAH-MNOVXSKESA-N 0 3 307.354 2.463 20 5 DEBDHN CCc1occc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001126500072 779209908 /nfs/dbraw/zinc/20/99/08/779209908.db2.gz ABZXVDWQMHZANT-UHFFFAOYSA-N 0 3 317.345 2.270 20 5 DEBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCN(c3cc(Cl)ccn3)CC2)C1 ZINC001169038430 785013005 /nfs/dbraw/zinc/01/30/05/785013005.db2.gz YSQJRRRINWEEAW-OCCSQVGLSA-N 0 3 324.812 2.302 20 5 DEBDHN COc1cccnc1CNc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001169210050 785089478 /nfs/dbraw/zinc/08/94/78/785089478.db2.gz LZPAPNNOXZRBSM-UHFFFAOYSA-N 0 3 300.318 2.214 20 5 DEBDHN NCc1ccc2c(n1)N(c1cccc3ncc([N+](=O)[O-])n31)CCC2 ZINC001169591751 785252725 /nfs/dbraw/zinc/25/27/25/785252725.db2.gz MDQRGOZRQYVRSZ-UHFFFAOYSA-N 0 3 324.344 2.181 20 5 DEBDHN COc1ccc(C[C@H](C)N2CCC(CO)CC2)c([N+](=O)[O-])c1 ZINC001170334583 786913109 /nfs/dbraw/zinc/91/31/09/786913109.db2.gz GZUAXBLJDYUPLD-LBPRGKRZSA-N 0 3 308.378 2.239 20 5 DEBDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1ncc([N+](=O)[O-])cn1 ZINC001170678598 788362481 /nfs/dbraw/zinc/36/24/81/788362481.db2.gz BHONTZHDDZSOQA-JTQLQIEISA-N 0 3 310.317 2.257 20 5 DEBDHN CN1CC(CNc2nc(Cl)nc3ccc([N+](=O)[O-])cc32)C1 ZINC001159218444 789010924 /nfs/dbraw/zinc/01/09/24/789010924.db2.gz ODSPQDYWUCMEGE-UHFFFAOYSA-N 0 3 307.741 2.165 20 5 DEBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N[C@H](CO)c1ccccn1 ZINC001173219290 793635959 /nfs/dbraw/zinc/63/59/59/793635959.db2.gz MXMMNXBNMKFSBT-MLGOLLRUSA-N 0 3 301.346 2.244 20 5 DEBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001173220996 793637641 /nfs/dbraw/zinc/63/76/41/793637641.db2.gz FDWYVHUFIMYLLL-GDLCADMTSA-N 0 3 312.316 2.492 20 5 DEBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1c(=N)sc2c1CCNC2 ZINC001173234637 793646498 /nfs/dbraw/zinc/64/64/98/793646498.db2.gz STURATPQBVPIFY-SNVBAGLBSA-N 0 3 318.402 2.387 20 5 DEBDHN CCC(O)(CC)CCNCc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001180908086 795388227 /nfs/dbraw/zinc/38/82/27/795388227.db2.gz USPIPEBQERWBHQ-UHFFFAOYSA-N 0 3 312.366 2.340 20 5 DEBDHN CCC(O)(CC)CC[NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC001180908086 795388232 /nfs/dbraw/zinc/38/82/32/795388232.db2.gz USPIPEBQERWBHQ-UHFFFAOYSA-N 0 3 312.366 2.340 20 5 DEBDHN C[C@H](N)c1ccn(-c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)n1 ZINC001158349635 798389197 /nfs/dbraw/zinc/38/91/97/798389197.db2.gz ULNACEZINSELBS-ZETCQYMHSA-N 0 3 318.724 2.397 20 5 DEBDHN O=[N+]([O-])c1cc([O-])cc(Nc2cc[nH+]c(N3CCOCC3)c2)c1 ZINC001199819436 798536693 /nfs/dbraw/zinc/53/66/93/798536693.db2.gz RIKDXAJVMUXBIX-UHFFFAOYSA-N 0 3 316.317 2.276 20 5 DEBDHN CC(C)(C)OC(=O)c1ccc(-n2nccc2CN)cc1[N+](=O)[O-] ZINC001162597888 799126815 /nfs/dbraw/zinc/12/68/15/799126815.db2.gz MVYOTMFZYQGKQI-UHFFFAOYSA-N 0 3 318.333 2.195 20 5 DEBDHN O=[N+]([O-])c1cc(F)cnc1N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001165349915 799710298 /nfs/dbraw/zinc/71/02/98/799710298.db2.gz JHDJVXPUNIPSDW-UONOGXRCSA-N 0 3 314.320 2.205 20 5 DEBDHN C[C@H](Cc1cccnc1)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000934231907 800296674 /nfs/dbraw/zinc/29/66/74/800296674.db2.gz AAWHTANXIQQKCB-GFCCVEGCSA-N 0 3 314.345 2.149 20 5 DEBDHN CC(=O)Nc1cc(O[C@@H](C)CN(C)C)c(C(C)=O)cc1[N+](=O)[O-] ZINC001229128515 801228218 /nfs/dbraw/zinc/22/82/18/801228218.db2.gz XODRBOWHBTWXSD-VIFPVBQESA-N 0 3 323.349 2.085 20 5 DEBDHN CO[C@@H]1CCN(CCOc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001229962831 801342545 /nfs/dbraw/zinc/34/25/45/801342545.db2.gz CQMCOJSJRSCMKY-LLVKDONJSA-N 0 3 300.742 2.348 20 5 DEBDHN CCOC(=O)c1ccc(O[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC001230911943 801528797 /nfs/dbraw/zinc/52/87/97/801528797.db2.gz BFCSYAPRTCSDFK-GFCCVEGCSA-N 0 3 308.334 2.245 20 5 DEBDHN CCOC(=O)c1c(Cl)[n-]c(=O)cc1O[C@@H](C)C[N+](C)(C)C ZINC001231088325 801575359 /nfs/dbraw/zinc/57/53/59/801575359.db2.gz NOISBUZGATXDJC-VIFPVBQESA-O 0 3 317.793 2.091 20 5 DEBDHN COCCN1CCC(Oc2cc(Cl)cnc2[N+](=O)[O-])CC1 ZINC001233715623 802189558 /nfs/dbraw/zinc/18/95/58/802189558.db2.gz IFAPKCQMCQRJPO-UHFFFAOYSA-N 0 3 315.757 2.133 20 5 DEBDHN CN(CCCNC(=O)c1ccoc1)Cc1ccc([N+](=O)[O-])cc1 ZINC001233910648 802239609 /nfs/dbraw/zinc/23/96/09/802239609.db2.gz XOMBVUQISKWWEX-UHFFFAOYSA-N 0 3 317.345 2.440 20 5 DEBDHN CCN1CCC[C@@H](Oc2ccc(C(=O)OC)c([N+](=O)[O-])c2)C1 ZINC001234049967 802280004 /nfs/dbraw/zinc/28/00/04/802280004.db2.gz FNXGZSIUTDLILU-GFCCVEGCSA-N 0 3 308.334 2.245 20 5 DEBDHN COCCN1CCC(Oc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001225769997 803012294 /nfs/dbraw/zinc/01/22/94/803012294.db2.gz RGIZXUCQQFPQNP-UHFFFAOYSA-N 0 3 310.350 2.093 20 5 DEBDHN CC(C)n1cc(Br)c(C(=O)OCC(C)[N+](=O)[O-])n1 ZINC001344996029 1150857235 /nfs/dbraw/zinc/85/72/35/1150857235.db2.gz CDULGBIFIRDJLC-SSDOTTSWSA-N 0 3 320.143 2.049 20 5 DEBDHN CC([C@H](OC(=O)Cc1cc[nH]n1)c1ccccc1F)[N+](=O)[O-] ZINC001526031962 1070204016 /nfs/dbraw/zinc/20/40/16/1070204016.db2.gz PIEMWNVMRDUDNN-XPTSAGLGSA-N 0 3 307.281 2.041 20 5 DEBDHN CN1CCCC[C@H]1CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000044564345 1078341265 /nfs/dbraw/zinc/34/12/65/1078341265.db2.gz INGKTZSFOMYKOR-NSHDSACASA-N 0 3 311.769 2.462 20 5 DEBDHN NCc1cccnc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001580348924 1075908307 /nfs/dbraw/zinc/90/83/07/1075908307.db2.gz AUXMTSFEYAQYTD-UHFFFAOYSA-N 0 3 306.709 2.354 20 5 DEBDHN C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609165516 1077781350 /nfs/dbraw/zinc/78/13/50/1077781350.db2.gz OYQPIQPNBAXSAN-GXFFZTMASA-N 0 3 316.365 2.443 20 5 DEBDHN C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609165516 1077781354 /nfs/dbraw/zinc/78/13/54/1077781354.db2.gz OYQPIQPNBAXSAN-GXFFZTMASA-N 0 3 316.365 2.443 20 5 DEBDHN Cc1ccc(CN2CC[C@@H](Nc3nn(C)cc3[N+](=O)[O-])C2)cc1 ZINC001652150782 1079855057 /nfs/dbraw/zinc/85/50/57/1079855057.db2.gz FSEDUKDFMIDDDA-CQSZACIVSA-N 0 3 315.377 2.323 20 5 DEBDHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1ccco1 ZINC001266627443 1082230616 /nfs/dbraw/zinc/23/06/16/1082230616.db2.gz ZXSPJGFUGGNSPL-UHFFFAOYSA-N 0 3 303.318 2.050 20 5 DEBDHN O=[N+]([O-])c1cc(Cl)ccc1CNC[C@]1(O)CCSC1 ZINC000702313473 1082289560 /nfs/dbraw/zinc/28/95/60/1082289560.db2.gz FVFLMDXFYXYFCP-GFCCVEGCSA-N 0 3 302.783 2.206 20 5 DEBDHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1cc[nH]c1 ZINC001482927049 1082564438 /nfs/dbraw/zinc/56/44/38/1082564438.db2.gz PLXWAZGCCQZGDR-UHFFFAOYSA-N 0 3 316.361 2.175 20 5 DEBDHN CN1CCCC[C@H]1CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001339262649 1143000906 /nfs/dbraw/zinc/00/09/06/1143000906.db2.gz CGTHAHNTKIMJKE-LBPRGKRZSA-N 0 3 316.361 2.290 20 5 DEBDHN CCc1ccc(C(=O)N2[C@H](C)CN[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC001341027423 1143526372 /nfs/dbraw/zinc/52/63/72/1143526372.db2.gz IHXNWNZZZFTETF-WOPDTQHZSA-N 0 3 305.378 2.368 20 5 DEBDHN C[C@@H]1COCCN1CCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001262364607 1144309604 /nfs/dbraw/zinc/30/96/04/1144309604.db2.gz CKWHBLAHVGXLOP-LLVKDONJSA-N 0 3 313.785 2.059 20 5 DEBDHN C[C@@H]1C[C@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCN1C ZINC000088055964 185238217 /nfs/dbraw/zinc/23/82/17/185238217.db2.gz IARJJZNKGNJMRE-MWLCHTKSSA-N 0 3 311.769 2.461 20 5 DEBDHN CC(C)N1CCCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000278223444 214032645 /nfs/dbraw/zinc/03/26/45/214032645.db2.gz LUDRGPCIBZRWII-UHFFFAOYSA-N 0 3 322.365 2.419 20 5 DEBDHN CN1CC[C@H]2CCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000296817055 529807384 /nfs/dbraw/zinc/80/73/84/529807384.db2.gz QPFLXTZSPJLVTE-IINYFYTJSA-N 0 3 323.780 2.414 20 5 DEBDHN COc1cc(CN[C@@H]2CC[C@@H](OC)C2)c([N+](=O)[O-])cc1OC ZINC000190943596 282328001 /nfs/dbraw/zinc/32/80/01/282328001.db2.gz BMJSSEWIZKBUJG-VXGBXAGGSA-N 0 3 310.350 2.269 20 5 DEBDHN COC(=O)c1ccc(CNCCc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000272733691 210139279 /nfs/dbraw/zinc/13/92/79/210139279.db2.gz JDLAJTXHBUPJHQ-UHFFFAOYSA-N 0 3 303.318 2.042 20 5 DEBDHN CCN1CCC(N(C)C(=O)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000119446770 185745929 /nfs/dbraw/zinc/74/59/29/185745929.db2.gz WKJSSUBKGPHFKH-UHFFFAOYSA-N 0 3 319.405 2.388 20 5 DEBDHN Cc1cc(C(=O)N[C@H](C)C2=CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000272659044 210063170 /nfs/dbraw/zinc/06/31/70/210063170.db2.gz GKZJWSWSARUGBG-GFCCVEGCSA-N 0 3 303.362 2.283 20 5 DEBDHN CN(C)C1(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000187992988 186240446 /nfs/dbraw/zinc/24/04/46/186240446.db2.gz YJLMORPMYWTVKX-UHFFFAOYSA-N 0 3 309.341 2.290 20 5 DEBDHN CCCN1CC[C@H](NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000595483604 358461133 /nfs/dbraw/zinc/46/11/33/358461133.db2.gz WXPVKRASUYNARF-OCCSQVGLSA-N 0 3 320.393 2.439 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@@H]2CCCN(C)C2)c1 ZINC000173772002 198249686 /nfs/dbraw/zinc/24/96/86/198249686.db2.gz GNPKJBCHZHVASX-CYBMUJFWSA-N 0 3 305.378 2.317 20 5 DEBDHN CN(CCCOc1ccc(F)cc1)CCn1cc([N+](=O)[O-])cn1 ZINC000174820039 198389377 /nfs/dbraw/zinc/38/93/77/198389377.db2.gz SLBHEDYVSGFUQS-UHFFFAOYSA-N 0 3 322.340 2.331 20 5 DEBDHN O=[N+]([O-])c1ccc(N2CCN(c3ccncc3)CC2)c(F)c1 ZINC000042096896 354188319 /nfs/dbraw/zinc/18/83/19/354188319.db2.gz NRUFAQLXTMPJER-UHFFFAOYSA-N 0 3 302.309 2.456 20 5 DEBDHN Cc1c(C(=O)NCCN2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000046878018 354294447 /nfs/dbraw/zinc/29/44/47/354294447.db2.gz FQELXRRKQYTPAY-GFCCVEGCSA-N 0 3 305.378 2.365 20 5 DEBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C)C1 ZINC000047119429 354307314 /nfs/dbraw/zinc/30/73/14/354307314.db2.gz CRBGDDBVOXJSOK-OLZOCXBDSA-N 0 3 305.378 2.445 20 5 DEBDHN C[C@@H]1CCCN(CCNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000046381262 354281872 /nfs/dbraw/zinc/28/18/72/354281872.db2.gz RRWCIMLIBQIAJV-GFCCVEGCSA-N 0 3 306.366 2.448 20 5 DEBDHN O=C(NCC1CC1)[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000047984085 354336800 /nfs/dbraw/zinc/33/68/00/354336800.db2.gz INUMAALRKCFZDG-OAHLLOKOSA-N 0 3 317.389 2.333 20 5 DEBDHN CNC(=O)c1ccc(NCCN2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000053562626 354439184 /nfs/dbraw/zinc/43/91/84/354439184.db2.gz RLXXNJJQVHQFPG-GFCCVEGCSA-N 0 3 320.393 2.098 20 5 DEBDHN C[C@H](CNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])N(C)C1CC1 ZINC000057706054 354577317 /nfs/dbraw/zinc/57/73/17/354577317.db2.gz MTAMEEXEEZZZAW-SOZJPDODSA-N 0 3 321.352 2.346 20 5 DEBDHN CCN1CCC[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000060416602 354614944 /nfs/dbraw/zinc/61/49/44/354614944.db2.gz LQQMXFHNUHGRCK-LBPRGKRZSA-N 0 3 316.361 2.290 20 5 DEBDHN O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@@H]1CN1CCCCC1 ZINC000068134651 354799480 /nfs/dbraw/zinc/79/94/80/354799480.db2.gz QSIOUJIMBHUHIW-GFCCVEGCSA-N 0 3 307.350 2.278 20 5 DEBDHN CC(=O)c1ccc(N2CCCN3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000142905286 355896377 /nfs/dbraw/zinc/89/63/77/355896377.db2.gz GOFCJHHUNCUQOO-CQSZACIVSA-N 0 3 303.362 2.472 20 5 DEBDHN C[C@@H]1C[C@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)CCN1C ZINC000316863557 356431165 /nfs/dbraw/zinc/43/11/65/356431165.db2.gz VTALHZYRKBKIIM-GHMZBOCLSA-N 0 3 301.350 2.433 20 5 DEBDHN CC(C)Oc1nc(N(C)CCN2CCCC2)ccc1[N+](=O)[O-] ZINC000578881495 356886956 /nfs/dbraw/zinc/88/69/56/356886956.db2.gz BWVBODIWSIJTIS-UHFFFAOYSA-N 0 3 308.382 2.309 20 5 DEBDHN CCn1c(C)nc([N+](=O)[O-])c1N1C[C@H](N2CCCC2)C[C@@H]1C ZINC000579634596 357007492 /nfs/dbraw/zinc/00/74/92/357007492.db2.gz GLFPSFUACDUYOX-WCQYABFASA-N 0 3 307.398 2.183 20 5 DEBDHN COC[C@](C)(O)CN[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000581418671 357183889 /nfs/dbraw/zinc/18/38/89/357183889.db2.gz LIQRLHCSNLAOTI-HZPDHXFCSA-N 0 3 308.378 2.349 20 5 DEBDHN CC(C)CN1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000586980752 357379269 /nfs/dbraw/zinc/37/92/69/357379269.db2.gz KMFYYUFGMCUDTO-UHFFFAOYSA-N 0 3 321.406 2.378 20 5 DEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[C@H](CC(N)=O)C1 ZINC000589209785 357455720 /nfs/dbraw/zinc/45/57/20/357455720.db2.gz SWASMQBQRNQDIM-YRBHFNIASA-N 0 3 303.362 2.195 20 5 DEBDHN CC1(C)CN[C@@H]1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000591686569 357751737 /nfs/dbraw/zinc/75/17/37/357751737.db2.gz XVBBSRVQVYZFNU-CQSZACIVSA-N 0 3 303.362 2.084 20 5 DEBDHN CNC(=O)CCN(C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000179409891 199030953 /nfs/dbraw/zinc/03/09/53/199030953.db2.gz VRHZGSRSHGUFEY-UHFFFAOYSA-N 0 3 317.345 2.423 20 5 DEBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593075708 358002418 /nfs/dbraw/zinc/00/24/18/358002418.db2.gz RDWPMPYDUDZQNG-FZMZJTMJSA-N 0 3 323.368 2.075 20 5 DEBDHN CCN1CCC(N(C)C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593449310 358081165 /nfs/dbraw/zinc/08/11/65/358081165.db2.gz ZNWNQXXGSDMCQE-UHFFFAOYSA-N 0 3 323.368 2.219 20 5 DEBDHN CC[C@@H](CN1CCCC1)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593473387 358086870 /nfs/dbraw/zinc/08/68/70/358086870.db2.gz BXHQIIPLINAKCV-AWEZNQCLSA-N 0 3 323.368 2.267 20 5 DEBDHN Cc1ccc([C@H](C)NCC[C@@]2(O)CCCOC2)cc1[N+](=O)[O-] ZINC000593722243 358130354 /nfs/dbraw/zinc/13/03/54/358130354.db2.gz VWJCNPAHNWDNIO-BBRMVZONSA-N 0 3 308.378 2.485 20 5 DEBDHN CN(CCN1CCCCC1)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000593883423 358164008 /nfs/dbraw/zinc/16/40/08/358164008.db2.gz MVPGZWXCFZOGIN-UHFFFAOYSA-N 0 3 309.341 2.292 20 5 DEBDHN COc1cc(C[NH2+][C@@H](C)Cc2ccccn2)c([N+](=O)[O-])cc1[O-] ZINC000594516398 358288211 /nfs/dbraw/zinc/28/82/11/358288211.db2.gz DCTVSEJCSMZAFH-NSHDSACASA-N 0 3 317.345 2.425 20 5 DEBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCCOC[C@@H]1CCOC1 ZINC000594495595 358283140 /nfs/dbraw/zinc/28/31/40/358283140.db2.gz QRHKVPFQHWBKHR-DOMZBBRYSA-N 0 3 306.362 2.225 20 5 DEBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCC1(N2CCOCC2)CC1 ZINC000594502195 358284753 /nfs/dbraw/zinc/28/47/53/358284753.db2.gz ZNPCXDANNKUVNZ-HNNXBMFYSA-N 0 3 317.389 2.037 20 5 DEBDHN CC[C@@H](C)CCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000594718317 358324670 /nfs/dbraw/zinc/32/46/70/358324670.db2.gz OBDKBUMULOFFEG-GFCCVEGCSA-N 0 3 314.407 2.394 20 5 DEBDHN COc1cc(CNC[C@H](CO)CC2CC2)c([N+](=O)[O-])cc1OC ZINC000594982382 358373400 /nfs/dbraw/zinc/37/34/00/358373400.db2.gz DNRUWEUSEXPGQN-GFCCVEGCSA-N 0 3 324.377 2.110 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H]1CCn2ccnc2C1 ZINC000595032689 358381278 /nfs/dbraw/zinc/38/12/78/358381278.db2.gz LBZVWKCWTZFITA-NEPJUHHUSA-N 0 3 316.361 2.466 20 5 DEBDHN CO[C@H](CNC(C)(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000595418168 358443083 /nfs/dbraw/zinc/44/30/83/358443083.db2.gz DARURJPZFUWOSB-SWLSCSKDSA-N 0 3 308.378 2.471 20 5 DEBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@@H]([C@H]3CCCCO3)C2)c1 ZINC000595785614 358548531 /nfs/dbraw/zinc/54/85/31/358548531.db2.gz FSTMUCJSUQFWCQ-UKRRQHHQSA-N 0 3 308.382 2.072 20 5 DEBDHN CCCN1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000596480487 358695659 /nfs/dbraw/zinc/69/56/59/358695659.db2.gz DMZWCCPKJOSIHQ-SNVBAGLBSA-N 0 3 310.329 2.340 20 5 DEBDHN Cc1ccc(CN2CC[C@@H](CN3CCCC3=O)C2)cc1[N+](=O)[O-] ZINC000597230785 358863029 /nfs/dbraw/zinc/86/30/29/358863029.db2.gz ZBPUEVKDKXZNON-OAHLLOKOSA-N 0 3 317.389 2.348 20 5 DEBDHN CC[C@H]1CN(C)CCCN1C(=O)c1cccc([N+](=O)[O-])c1OC ZINC000597603783 358960658 /nfs/dbraw/zinc/96/06/58/358960658.db2.gz DUVVWSFNFUAXII-LBPRGKRZSA-N 0 3 321.377 2.160 20 5 DEBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000598261931 359140588 /nfs/dbraw/zinc/14/05/88/359140588.db2.gz IXOMTNLWLSWOQJ-ZDUSSCGKSA-N 0 3 305.378 2.445 20 5 DEBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@@H]2CCOC[C@H]2O)o1 ZINC000599010755 359382074 /nfs/dbraw/zinc/38/20/74/359382074.db2.gz DCWARKDPIRDWGY-UKRRQHHQSA-N 0 3 318.329 2.094 20 5 DEBDHN O=[N+]([O-])c1cccc(-c2ccc(CN[C@@H]3CCOC[C@H]3O)o2)c1 ZINC000599011178 359383524 /nfs/dbraw/zinc/38/35/24/359383524.db2.gz GKEAHMCOKVUEGK-HUUCEWRRSA-N 0 3 318.329 2.094 20 5 DEBDHN CCN(C(=O)c1ccc(OC)c([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000599985802 359629852 /nfs/dbraw/zinc/62/98/52/359629852.db2.gz IYYPGOWRYXHNRA-UHFFFAOYSA-N 0 3 321.377 2.160 20 5 DEBDHN Cc1ccc(CN2CCN(CC(C)(C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000188744503 200298577 /nfs/dbraw/zinc/29/85/77/200298577.db2.gz WKAXMBWJRLMZIF-AWEZNQCLSA-N 0 3 321.421 2.180 20 5 DEBDHN CC[C@H]1CN(C)CCCN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000601188267 359957639 /nfs/dbraw/zinc/95/76/39/359957639.db2.gz FRVWAVPIDUQKLK-LBPRGKRZSA-N 0 3 315.377 2.459 20 5 DEBDHN CCN1CCCC[C@@H]1CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601149400 359943145 /nfs/dbraw/zinc/94/31/45/359943145.db2.gz JXONCZJWQVXIJV-LLVKDONJSA-N 0 3 309.341 2.338 20 5 DEBDHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)c1c(F)cccc1[N+](=O)[O-] ZINC000601662930 360104389 /nfs/dbraw/zinc/10/43/89/360104389.db2.gz VNPCXSGOIBBVGN-OLZOCXBDSA-N 0 3 321.352 2.481 20 5 DEBDHN CC(=O)NCCCNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602509635 360409978 /nfs/dbraw/zinc/40/99/78/360409978.db2.gz GAXWJLRVVIHVNL-UHFFFAOYSA-N 0 3 319.283 2.229 20 5 DEBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN[C@H]1C[C@@H](CO)C1 ZINC000602726755 360521166 /nfs/dbraw/zinc/52/11/66/360521166.db2.gz YWSADAHBMAXQLG-DKTWLAJQSA-N 0 3 304.268 2.474 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)[C@H](CCO)c1ccccc1 ZINC000602787481 360553823 /nfs/dbraw/zinc/55/38/23/360553823.db2.gz YTUHZCMWILNJPQ-OAHLLOKOSA-N 0 3 318.377 2.155 20 5 DEBDHN COc1ccc([C@H](C)NCCn2c(C)ncc2[N+](=O)[O-])cc1 ZINC000602803017 360563661 /nfs/dbraw/zinc/56/36/61/360563661.db2.gz UVYUMVZKYSSXPX-NSHDSACASA-N 0 3 304.350 2.459 20 5 DEBDHN C[C@@H]1OCC[C@H]1CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000602762044 360540150 /nfs/dbraw/zinc/54/01/50/360540150.db2.gz FOXQGXTWBPMZQC-KBPBESRZSA-N 0 3 305.378 2.142 20 5 DEBDHN Cc1nn(CCN2CCC(C)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000603324265 360792435 /nfs/dbraw/zinc/79/24/35/360792435.db2.gz DMVSAQJMMPIHBT-UHFFFAOYSA-N 0 3 303.366 2.380 20 5 DEBDHN O=[N+]([O-])c1cnc(NC[C@@H]2CSCCN2)c(C(F)(F)F)c1 ZINC000603419685 360826819 /nfs/dbraw/zinc/82/68/19/360826819.db2.gz PKKFQFXZCUUTHI-SSDOTTSWSA-N 0 3 322.312 2.126 20 5 DEBDHN CNc1ccc(C(=O)NCCN2CCCCCC2)cc1[N+](=O)[O-] ZINC000603595474 360847577 /nfs/dbraw/zinc/84/75/77/360847577.db2.gz KJFFRARLBZIXMH-UHFFFAOYSA-N 0 3 320.393 2.242 20 5 DEBDHN O=[N+]([O-])c1cccc(CCNCc2cnn(CC(F)F)c2)c1 ZINC000292492579 223118641 /nfs/dbraw/zinc/11/86/41/223118641.db2.gz BRISDPQNTKEKDC-UHFFFAOYSA-N 0 3 310.304 2.389 20 5 DEBDHN O=[N+]([O-])c1ccc2oc(CN(CCO)C3CCCC3)nc2c1 ZINC000610581149 361425942 /nfs/dbraw/zinc/42/59/42/361425942.db2.gz GDBKHWWTLJYYOT-UHFFFAOYSA-N 0 3 305.334 2.473 20 5 DEBDHN COc1cccc(CN(C)CCn2c(C)ncc2[N+](=O)[O-])c1 ZINC000610680873 361444246 /nfs/dbraw/zinc/44/42/46/361444246.db2.gz WKPREVVDHRAKAL-UHFFFAOYSA-N 0 3 304.350 2.240 20 5 DEBDHN C[C@@H]1COCCCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000619719711 363864346 /nfs/dbraw/zinc/86/43/46/363864346.db2.gz YOWIBJVCKXVZTB-GFCCVEGCSA-N 0 3 307.350 2.034 20 5 DEBDHN O=C1CC[C@H](NC/C=C\c2ccccc2[N+](=O)[O-])C2(CCC2)N1 ZINC000619799130 363878495 /nfs/dbraw/zinc/87/84/95/363878495.db2.gz NTQFNFOVBKHABM-BYPUDFOVSA-N 0 3 315.373 2.399 20 5 DEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCC(=O)NCc1ccco1 ZINC000449075416 240021113 /nfs/dbraw/zinc/02/11/13/240021113.db2.gz QXEZUZGKNIDIRJ-GFCCVEGCSA-N 0 3 317.345 2.025 20 5 DEBDHN Cn1ncc(CCCNCc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000292989600 223341286 /nfs/dbraw/zinc/34/12/86/223341286.db2.gz NULRZZBBBOEKAK-UHFFFAOYSA-N 0 3 309.757 2.099 20 5 DEBDHN CO[C@@H]1CCCC[C@@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000275292568 212253731 /nfs/dbraw/zinc/25/37/31/212253731.db2.gz YEANSRCDUXORGU-GXTWGEPZSA-N 0 3 307.350 2.081 20 5 DEBDHN COc1cc(C[NH2+]CCc2ccc(C)cn2)c([N+](=O)[O-])cc1[O-] ZINC000453598105 245204282 /nfs/dbraw/zinc/20/42/82/245204282.db2.gz JAGOREGRIZGHSD-UHFFFAOYSA-N 0 3 317.345 2.345 20 5 DEBDHN O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@H](N2CCCCC2)C1 ZINC000264650471 204053629 /nfs/dbraw/zinc/05/36/29/204053629.db2.gz WZAFVFLPHLYNGP-HNNXBMFYSA-N 0 3 317.389 2.224 20 5 DEBDHN O=C1CC[C@H](NC/C=C/c2ccccc2[N+](=O)[O-])C2(CCC2)N1 ZINC000282827246 217276222 /nfs/dbraw/zinc/27/62/22/217276222.db2.gz NTQFNFOVBKHABM-VFQAQYNWSA-N 0 3 315.373 2.399 20 5 DEBDHN COCCN1CCC(Nc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000266455013 205359031 /nfs/dbraw/zinc/35/90/31/205359031.db2.gz XTJSUJQGMVIGIW-UHFFFAOYSA-N 0 3 309.366 2.126 20 5 DEBDHN CC1=CCN(CCNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000492557215 249089093 /nfs/dbraw/zinc/08/90/93/249089093.db2.gz BTHLIFDJOJANMA-WAYWQWQTSA-N 0 3 315.373 2.376 20 5 DEBDHN CCOc1cc(CN[C@H]2CCOC[C@@H]2OCC)ccc1[N+](=O)[O-] ZINC000492876814 249161597 /nfs/dbraw/zinc/16/15/97/249161597.db2.gz XRJUHPIEDVRJHG-BBRMVZONSA-N 0 3 324.377 2.277 20 5 DEBDHN CC(C)[C@@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CCN1C ZINC000493565974 249325736 /nfs/dbraw/zinc/32/57/36/249325736.db2.gz YQJNVCROBKWWCL-WAVCKPEOSA-N 0 3 317.389 2.407 20 5 DEBDHN COC[C@H](N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000284849122 218204343 /nfs/dbraw/zinc/20/43/43/218204343.db2.gz ABZDSIZUSAGERH-DGFSRKRXSA-N 0 3 309.366 2.022 20 5 DEBDHN CCC[C@@H](NC[C@@H](O)c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000268925150 207090952 /nfs/dbraw/zinc/09/09/52/207090952.db2.gz VRYKJGDOPJQRMS-HZPDHXFCSA-N 0 3 318.377 2.493 20 5 DEBDHN C[C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000294564826 224091670 /nfs/dbraw/zinc/09/16/70/224091670.db2.gz JPCANOJUUFPAHO-AWEZNQCLSA-N 0 3 321.421 2.459 20 5 DEBDHN COc1cc(CNCCC[C@@H](C)CO)c([N+](=O)[O-])cc1OC ZINC000270293061 208369251 /nfs/dbraw/zinc/36/92/51/208369251.db2.gz PNLGVCWQAOYSDY-LLVKDONJSA-N 0 3 312.366 2.110 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N(CCN(C)C)C(C)C ZINC000156790056 197140843 /nfs/dbraw/zinc/14/08/43/197140843.db2.gz QCEHBWVGYVKDTM-UHFFFAOYSA-N 0 3 309.366 2.016 20 5 DEBDHN C[C@H]1CCN(CCNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000543642956 285300749 /nfs/dbraw/zinc/30/07/49/285300749.db2.gz UTHUGTXDJINSPW-JTQLQIEISA-N 0 3 310.329 2.197 20 5 DEBDHN COc1ccc(CN[C@H](C)C(C)(C)n2cncn2)cc1[N+](=O)[O-] ZINC000289598324 221093762 /nfs/dbraw/zinc/09/37/62/221093762.db2.gz FVCPRMYUMZBVSZ-LLVKDONJSA-N 0 3 319.365 2.108 20 5 DEBDHN CC(C)(CO)[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1cccs1 ZINC000289638184 221121425 /nfs/dbraw/zinc/12/14/25/221121425.db2.gz FKQFTVKXRDHAMW-ZDUSSCGKSA-N 0 3 324.406 2.202 20 5 DEBDHN CSCC[C@@H](N)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000121821198 195355104 /nfs/dbraw/zinc/35/51/04/195355104.db2.gz MHACOWDETPZBHR-CMPLNLGQSA-N 0 3 311.407 2.161 20 5 DEBDHN C[C@H](C(=O)NCCN1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000562395385 291981851 /nfs/dbraw/zinc/98/18/51/291981851.db2.gz ZJAOOVYFTOGIEG-ZDUSSCGKSA-N 0 3 305.378 2.300 20 5 DEBDHN C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)N1CCC(C)CC1 ZINC000067273243 132496535 /nfs/dbraw/zinc/49/65/35/132496535.db2.gz ZOKRQIHLAUILPV-CQSZACIVSA-N 0 3 319.405 2.374 20 5 DEBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CCO[C@]3(CCOC3)C2)c(F)c1 ZINC000350312117 132874156 /nfs/dbraw/zinc/87/41/56/132874156.db2.gz NADKNCDGEOPMFX-IUODEOHRSA-N 0 3 310.325 2.162 20 5 DEBDHN CCCN(CCN(C)C)C(=O)c1cccc([N+](=O)[O-])c1OC ZINC000355673613 133041476 /nfs/dbraw/zinc/04/14/76/133041476.db2.gz LZNLYMFWWKDVSO-UHFFFAOYSA-N 0 3 309.366 2.017 20 5 DEBDHN CCC[C@H](NC[C@@H](O)[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000358050369 133117802 /nfs/dbraw/zinc/11/78/02/133117802.db2.gz TURZEWANCVXSMF-VNQPRFMTSA-N 0 3 308.378 2.423 20 5 DEBDHN CSc1cccc(C(=O)NCCN(C)C2CC2)c1[N+](=O)[O-] ZINC000362843789 133254620 /nfs/dbraw/zinc/25/46/20/133254620.db2.gz RTKFWZKTSIZBHN-UHFFFAOYSA-N 0 3 309.391 2.141 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H]1CSC[C@H]1C ZINC000352799000 146601235 /nfs/dbraw/zinc/60/12/35/146601235.db2.gz LNAIGUPSZMMTHG-GHMZBOCLSA-N 0 3 309.391 2.183 20 5 DEBDHN CS[C@@H]1CN(c2ncccc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000548120542 285689681 /nfs/dbraw/zinc/68/96/81/285689681.db2.gz MIEQSTJTZWUZHM-QWHCGFSZSA-N 0 3 308.407 2.006 20 5 DEBDHN CNc1c(C(=O)N[C@H](C)CN2CCCCC2)cccc1[N+](=O)[O-] ZINC000322212894 145378601 /nfs/dbraw/zinc/37/86/01/145378601.db2.gz WEGNAARXLFIJGA-GFCCVEGCSA-N 0 3 320.393 2.241 20 5 DEBDHN CCN1CCN([C@H](C)CNc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000341529976 145461848 /nfs/dbraw/zinc/46/18/48/145461848.db2.gz JFPSXSBIIPRYFR-GFCCVEGCSA-N 0 3 310.373 2.172 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCC1(C)C ZINC000565168521 292140726 /nfs/dbraw/zinc/14/07/26/292140726.db2.gz DJUQKMLYFHJICF-CYBMUJFWSA-N 0 3 307.350 2.320 20 5 DEBDHN C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)N1CCCC[C@@H]1C ZINC000344988440 404486267 /nfs/dbraw/zinc/48/62/67/404486267.db2.gz NKXWBFCGXHHQOY-RYUDHWBXSA-N 0 3 320.393 2.170 20 5 DEBDHN COC(=O)CC1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000346236311 146044229 /nfs/dbraw/zinc/04/42/29/146044229.db2.gz PZMCJOXIMJLJFB-UHFFFAOYSA-N 0 3 322.361 2.249 20 5 DEBDHN CCN(CCN1CCCCCC1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000346276427 146052697 /nfs/dbraw/zinc/05/26/97/146052697.db2.gz BERKULIRFFKEII-UHFFFAOYSA-N 0 3 322.409 2.271 20 5 DEBDHN C[C@H]1[C@@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CCCN1C ZINC000346407598 146077236 /nfs/dbraw/zinc/07/72/36/146077236.db2.gz MPOKUHAWHAJSRJ-JSGCOSHPSA-N 0 3 319.405 2.471 20 5 DEBDHN C[C@@H]1[C@@H](C)N(CCCOc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000356975197 147014397 /nfs/dbraw/zinc/01/43/97/147014397.db2.gz JWXSCKKMQVWXOX-ZIAGYGMSSA-N 0 3 307.394 2.388 20 5 DEBDHN C[C@H](CN(C)C)NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000358513976 147148694 /nfs/dbraw/zinc/14/86/94/147148694.db2.gz ZMQRRDLBBFLTNC-GFCCVEGCSA-N 0 3 320.393 2.219 20 5 DEBDHN C[C@@H]1C[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000127559526 401739821 /nfs/dbraw/zinc/73/98/21/401739821.db2.gz OSOKQAYVSWZHOW-OCCSQVGLSA-N 0 3 317.389 2.269 20 5 DEBDHN CN(C[C@H]1CCCN(C)C1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000115435015 401827713 /nfs/dbraw/zinc/82/77/13/401827713.db2.gz WLXDBLITFKDEEX-VSGCLNPGSA-N 0 3 317.389 2.408 20 5 DEBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000115440987 401828662 /nfs/dbraw/zinc/82/86/62/401828662.db2.gz GKUYHFPSGLBBLG-XVJNWHFHSA-N 0 3 317.389 2.408 20 5 DEBDHN C[C@@H]1C[C@H](Nc2nc3sccn3c2[N+](=O)[O-])CN1C1CC1 ZINC000133544108 401890155 /nfs/dbraw/zinc/89/01/55/401890155.db2.gz MPTLORWOWPMZDJ-BDAKNGLRSA-N 0 3 307.379 2.341 20 5 DEBDHN Cc1ccc([C@@H](C)NCCNC(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000566170131 292213670 /nfs/dbraw/zinc/21/36/70/292213670.db2.gz KXAKVODXMHQLHN-GFCCVEGCSA-N 0 3 308.382 2.261 20 5 DEBDHN CCNC(=O)N1CC[C@@H](N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000151080545 402014538 /nfs/dbraw/zinc/01/45/38/402014538.db2.gz IZDAERXVHWFACR-DGCLKSJQSA-N 0 3 306.366 2.049 20 5 DEBDHN Cn1ccc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000093534385 402016305 /nfs/dbraw/zinc/01/63/05/402016305.db2.gz CKEOUTJTFNUZRI-ZDUSSCGKSA-N 0 3 301.350 2.015 20 5 DEBDHN Cc1ccc(CN2CCC(c3nc[nH]n3)CC2)cc1[N+](=O)[O-] ZINC000093646124 402017856 /nfs/dbraw/zinc/01/78/56/402017856.db2.gz URDNTNIICBLWIA-UHFFFAOYSA-N 0 3 301.350 2.401 20 5 DEBDHN CC[C@H](N[C@H](C)CN1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000121386556 402032944 /nfs/dbraw/zinc/03/29/44/402032944.db2.gz OVJIDLHIZKBHEJ-CJNGLKHVSA-N 0 3 307.394 2.356 20 5 DEBDHN CC(C)N(CCN(C)C)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000151988066 402069600 /nfs/dbraw/zinc/06/96/00/402069600.db2.gz TZBLMNHGHDBWTK-MDZDMXLPSA-N 0 3 305.378 2.407 20 5 DEBDHN O=[N+]([O-])c1ccc(OCCN2CC[C@@H]3OCCC[C@@H]3C2)cc1 ZINC000153069672 402125319 /nfs/dbraw/zinc/12/53/19/402125319.db2.gz VOYFUPAEGGGZLE-CJNGLKHVSA-N 0 3 306.362 2.475 20 5 DEBDHN CN(C)CCn1cc(Nc2ncc(Cl)cc2[N+](=O)[O-])cn1 ZINC000153648619 402160124 /nfs/dbraw/zinc/16/01/24/402160124.db2.gz UJXFCXGUTVOIJV-UHFFFAOYSA-N 0 3 310.745 2.145 20 5 DEBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCN(C)C1CC1 ZINC000067701470 402168486 /nfs/dbraw/zinc/16/84/86/402168486.db2.gz KXUVBPNKOCWIRV-LLVKDONJSA-N 0 3 323.418 2.286 20 5 DEBDHN C[C@H](CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)N(C)C1CC1 ZINC000217818879 402293835 /nfs/dbraw/zinc/29/38/35/402293835.db2.gz OOUOBKDWPIIHDC-SECBINFHSA-N 0 3 311.769 2.461 20 5 DEBDHN CC(C)c1ccc(CNCC2(O)CCOCC2)cc1[N+](=O)[O-] ZINC000236648373 402371053 /nfs/dbraw/zinc/37/10/53/402371053.db2.gz JEZOJCDGXOOBPF-UHFFFAOYSA-N 0 3 308.378 2.349 20 5 DEBDHN COc1cc(CN(C)C[C@H]2CCCN2C)c([N+](=O)[O-])cc1OC ZINC000421410963 286217747 /nfs/dbraw/zinc/21/77/47/286217747.db2.gz PZCYGPUFPPNRIU-CYBMUJFWSA-N 0 3 323.393 2.138 20 5 DEBDHN Cc1c(CC(=O)N(C)[C@H]2CCN(C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000245908272 402496138 /nfs/dbraw/zinc/49/61/38/402496138.db2.gz CSYSEWCORUATEJ-DOMZBBRYSA-N 0 3 319.405 2.244 20 5 DEBDHN COC(=O)[C@H]1CCCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000171059230 402553158 /nfs/dbraw/zinc/55/31/58/402553158.db2.gz QYCYIEDJCVOTFW-ZDUSSCGKSA-N 0 3 322.361 2.249 20 5 DEBDHN COc1ccc(C(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000247328963 402563972 /nfs/dbraw/zinc/56/39/72/402563972.db2.gz INOHPACYMIGWDV-WCQYABFASA-N 0 3 321.377 2.016 20 5 DEBDHN COc1ccc(C(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000247328956 402564201 /nfs/dbraw/zinc/56/42/01/402564201.db2.gz INOHPACYMIGWDV-DGCLKSJQSA-N 0 3 321.377 2.016 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](c2nccn2C)C1 ZINC000566413492 292236550 /nfs/dbraw/zinc/23/65/50/292236550.db2.gz GPFIGMITQFPTQE-CYBMUJFWSA-N 0 3 316.361 2.326 20 5 DEBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CCCN(C)C1 ZINC000171768651 402620350 /nfs/dbraw/zinc/62/03/50/402620350.db2.gz MILHZPZWINDCDD-CYBMUJFWSA-N 0 3 320.393 2.078 20 5 DEBDHN C[C@H](NC[C@H]1COC2(CCOCC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000182342741 402682358 /nfs/dbraw/zinc/68/23/58/402682358.db2.gz SACSQXFJWZKJBB-WFASDCNBSA-N 0 3 322.361 2.168 20 5 DEBDHN CCN1CCC[C@@H]1CNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000255385565 402685879 /nfs/dbraw/zinc/68/58/79/402685879.db2.gz ORCAOJVYWMHQJZ-CFYYFVFUSA-N 0 3 303.362 2.209 20 5 DEBDHN C[C@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000182391542 402685926 /nfs/dbraw/zinc/68/59/26/402685926.db2.gz RVSBZTJAVDAMBC-JSGCOSHPSA-N 0 3 317.345 2.080 20 5 DEBDHN COc1ccccc1C(C)(C)NCCn1cc([N+](=O)[O-])cn1 ZINC000174846405 402759697 /nfs/dbraw/zinc/75/96/97/402759697.db2.gz KCACSEYKYAZOPE-UHFFFAOYSA-N 0 3 304.350 2.325 20 5 DEBDHN C[C@H](NC(=O)NCC1=CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000272112055 402898623 /nfs/dbraw/zinc/89/86/23/402898623.db2.gz QYPRMQHFNIVLNG-LBPRGKRZSA-N 0 3 318.377 2.217 20 5 DEBDHN Cc1ccc(CN(C)[C@H](C)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000279417122 402940575 /nfs/dbraw/zinc/94/05/75/402940575.db2.gz MUWKSGPORKIHRP-CQSZACIVSA-N 0 3 307.394 2.056 20 5 DEBDHN O=[N+]([O-])c1cnn(CCN2CC[C@H](COc3ccccc3)C2)c1 ZINC000272482028 402942578 /nfs/dbraw/zinc/94/25/78/402942578.db2.gz BCSMFAZOWBQBBR-AWEZNQCLSA-N 0 3 316.361 2.192 20 5 DEBDHN O=C(c1ccc([N+](=O)[O-])o1)N1CCCN(C2CCCC2)CC1 ZINC000265716562 402943154 /nfs/dbraw/zinc/94/31/54/402943154.db2.gz JFQVCOLEWFKAPA-UHFFFAOYSA-N 0 3 307.350 2.278 20 5 DEBDHN C[C@@H]1CCC[C@@H]1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000279160802 402911254 /nfs/dbraw/zinc/91/12/54/402911254.db2.gz BELQJWHBGNLYRZ-RISCZKNCSA-N 0 3 303.362 2.262 20 5 DEBDHN C[C@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CN1C1CC1 ZINC000273343496 402996234 /nfs/dbraw/zinc/99/62/34/402996234.db2.gz AZEMVWXZTYKCAA-UWVGGRQHSA-N 0 3 322.340 2.481 20 5 DEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N(C)CCCN1CCN(C)CC1 ZINC000266891566 402997330 /nfs/dbraw/zinc/99/73/30/402997330.db2.gz DAKHVQZXHYZEJE-OAHLLOKOSA-N 0 3 320.437 2.225 20 5 DEBDHN CC(C)OCCN1CCC(Nc2ncccc2[N+](=O)[O-])CC1 ZINC000267033176 403009762 /nfs/dbraw/zinc/00/97/62/403009762.db2.gz KZEJTDZXBGQFJW-UHFFFAOYSA-N 0 3 308.382 2.291 20 5 DEBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1Nc1c([N+](=O)[O-])ncn1C ZINC000274146893 403030718 /nfs/dbraw/zinc/03/07/18/403030718.db2.gz ICQJGYWEBLHCEY-JSGCOSHPSA-N 0 3 315.377 2.261 20 5 DEBDHN C[S@](=O)C1(CNC/C=C/c2ccccc2[N+](=O)[O-])CCC1 ZINC000280768981 403034865 /nfs/dbraw/zinc/03/48/65/403034865.db2.gz ZMDGKQLLJGCEGH-XBGMYJNYSA-N 0 3 308.403 2.499 20 5 DEBDHN Cc1nc(N(CCN(C)C)Cc2ccco2)ccc1[N+](=O)[O-] ZINC000268481277 403087006 /nfs/dbraw/zinc/08/70/06/403087006.db2.gz LMKNSVBLBBUTKR-UHFFFAOYSA-N 0 3 304.350 2.459 20 5 DEBDHN Cc1cccc(N2CCN(CC(C)(C)O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000275436741 403102665 /nfs/dbraw/zinc/10/26/65/403102665.db2.gz JMDYOSKWDQCLAP-ZDUSSCGKSA-N 0 3 307.394 2.185 20 5 DEBDHN Cc1ccc(CN2CCC(CCC(N)=O)CC2)cc1[N+](=O)[O-] ZINC000271213303 403280204 /nfs/dbraw/zinc/28/02/04/403280204.db2.gz VSIZULDYNGDMBA-UHFFFAOYSA-N 0 3 305.378 2.381 20 5 DEBDHN COc1ccc(OCCN2C[C@@H](C)N(C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000330595943 403285699 /nfs/dbraw/zinc/28/56/99/403285699.db2.gz RGQQMWJOMOHYSW-OLZOCXBDSA-N 0 3 323.393 2.007 20 5 DEBDHN CC(C)c1ccc(CNC[C@@]2(O)CCO[C@H]2C)cc1[N+](=O)[O-] ZINC000331205233 403352088 /nfs/dbraw/zinc/35/20/88/403352088.db2.gz SKACFWBNAXZVGA-LRDDRELGSA-N 0 3 308.378 2.348 20 5 DEBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000285611425 403338997 /nfs/dbraw/zinc/33/89/97/403338997.db2.gz CCEHVBOIQIQLLX-ZYHUDNBSSA-N 0 3 309.391 2.355 20 5 DEBDHN CCN1CCC[C@@H]1CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342919387 403396401 /nfs/dbraw/zinc/39/64/01/403396401.db2.gz APVWSICTOWNKQI-LLVKDONJSA-N 0 3 316.361 2.290 20 5 DEBDHN CN(C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[C@@H]1CCCN(C)C1 ZINC000342936783 403402959 /nfs/dbraw/zinc/40/29/59/403402959.db2.gz YYQWSHXHMXMXGM-LLVKDONJSA-N 0 3 316.361 2.242 20 5 DEBDHN CC(C)[C@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000293218941 403418597 /nfs/dbraw/zinc/41/85/97/403418597.db2.gz RPXHQIDXYWTXCG-JKSUJKDBSA-N 0 3 308.378 2.375 20 5 DEBDHN Cc1c(CN2C[C@H](N3CCOCC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000286024265 403433024 /nfs/dbraw/zinc/43/30/24/403433024.db2.gz QBIRKGPGFBJNJF-CZUORRHYSA-N 0 3 319.405 2.198 20 5 DEBDHN NC(=O)c1cccc(NC[C@@H]2CCCCN2C2CC2)c1[N+](=O)[O-] ZINC000343089088 403458524 /nfs/dbraw/zinc/45/85/24/403458524.db2.gz CJPRJVYSJQDEFL-LBPRGKRZSA-N 0 3 318.377 2.123 20 5 DEBDHN CC(=O)N1CC[C@@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000332010278 403464197 /nfs/dbraw/zinc/46/41/97/403464197.db2.gz FNXWOZOORVCHSR-CJNGLKHVSA-N 0 3 303.362 2.183 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000332036418 403467025 /nfs/dbraw/zinc/46/70/25/403467025.db2.gz WWTJMSVTYIPRLY-BBRMVZONSA-N 0 3 317.389 2.378 20 5 DEBDHN Cc1ccc(CN(CCN(C)C)C(=O)c2ccc([N+](=O)[O-])[nH]2)o1 ZINC000299109560 403523616 /nfs/dbraw/zinc/52/36/16/403523616.db2.gz YOSVOUVTAQZSMW-UHFFFAOYSA-N 0 3 320.349 2.028 20 5 DEBDHN C[C@@H](CC(N)=O)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000345819323 403497259 /nfs/dbraw/zinc/49/72/59/403497259.db2.gz CELAPNHLCAYSBQ-JTQLQIEISA-N 0 3 303.318 2.208 20 5 DEBDHN CC[C@H]1CN(c2ccc([N+](=O)[O-])c(C)c2)CCN1CCOC ZINC000301446103 403630128 /nfs/dbraw/zinc/63/01/28/403630128.db2.gz ZHSMXVXMMGTHGS-AWEZNQCLSA-N 0 3 307.394 2.450 20 5 DEBDHN CN(CCN(C)C1CC1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347273947 403644952 /nfs/dbraw/zinc/64/49/52/403644952.db2.gz TYMATAWNMUZFHV-UHFFFAOYSA-N 0 3 310.329 2.292 20 5 DEBDHN COC(=O)[C@@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])[C@H]1C ZINC000347320306 403662676 /nfs/dbraw/zinc/66/26/76/403662676.db2.gz WTEJJVXNQYQVTQ-DOFRETIQSA-N 0 3 304.346 2.491 20 5 DEBDHN CNC(=O)[C@@H]1CCCN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000347369488 403683424 /nfs/dbraw/zinc/68/34/24/403683424.db2.gz OFGALTJNXPGPDG-BMQCOBNYSA-N 0 3 317.389 2.456 20 5 DEBDHN COc1cc(N2CC[C@H](N3CCCC3)C2)c(F)cc1[N+](=O)[O-] ZINC000301859399 403691999 /nfs/dbraw/zinc/69/19/99/403691999.db2.gz DZVOHCLQWGJAKI-NSHDSACASA-N 0 3 309.341 2.417 20 5 DEBDHN CCCN(CCN1CCCC1)c1c([N+](=O)[O-])nc(C)n1CC ZINC000340911970 403695753 /nfs/dbraw/zinc/69/57/53/403695753.db2.gz LNGRMKHUVLEEAN-UHFFFAOYSA-N 0 3 309.414 2.432 20 5 DEBDHN CCc1nn(C)c(NC[C@H](C)N2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000301940537 403703812 /nfs/dbraw/zinc/70/38/12/403703812.db2.gz UOKPXAHTOLUSIM-NEPJUHHUSA-N 0 3 309.414 2.423 20 5 DEBDHN C[C@@H]1C[C@H](O)CN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000340936486 403705504 /nfs/dbraw/zinc/70/55/04/403705504.db2.gz YSXHDJCEBQDEPT-RISCZKNCSA-N 0 3 317.345 2.247 20 5 DEBDHN CCC[C@@]1(CO)CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000288933443 403795966 /nfs/dbraw/zinc/79/59/66/403795966.db2.gz WBXORVQKQYRQSH-MRXNPFEDSA-N 0 3 308.378 2.458 20 5 DEBDHN C[C@H](NC(=O)N[C@@H]1CCCN(C)[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000343937803 403799915 /nfs/dbraw/zinc/79/99/15/403799915.db2.gz QFJKVCRRYILHOX-OUCADQQQSA-N 0 3 320.393 2.438 20 5 DEBDHN CO[C@H]1CCCC[C@H]1NCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000361747717 403840652 /nfs/dbraw/zinc/84/06/52/403840652.db2.gz CYOZDEKGJCSORS-HIFRSBDPSA-N 0 3 321.377 2.389 20 5 DEBDHN CN(C[C@@H](O)CN(Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000351699991 403859623 /nfs/dbraw/zinc/85/96/23/403859623.db2.gz OPDXVVLAHIRRCG-MRXNPFEDSA-N 0 3 319.405 2.014 20 5 DEBDHN C[C@H]1[C@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CCCN1C ZINC000344235433 403997845 /nfs/dbraw/zinc/99/78/45/403997845.db2.gz LFEQYJMWFRRWOT-GXTWGEPZSA-N 0 3 320.393 2.219 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](CO)[C@H]1CCCOC1 ZINC000411992561 404050295 /nfs/dbraw/zinc/05/02/95/404050295.db2.gz WYPOFUDPEZEDSS-HEHGZKQESA-N 0 3 308.378 2.341 20 5 DEBDHN CO[C@@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000296014430 404052929 /nfs/dbraw/zinc/05/29/29/404052929.db2.gz MTGMPRMIFCGTBE-LSDHHAIUSA-N 0 3 308.378 2.375 20 5 DEBDHN CCS(=O)(=O)CCCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000341596468 404058860 /nfs/dbraw/zinc/05/88/60/404058860.db2.gz WXXKRGUJYJNKFS-NSHDSACASA-N 0 3 300.380 2.070 20 5 DEBDHN COC1([C@H](C)NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000412020855 404059471 /nfs/dbraw/zinc/05/94/71/404059471.db2.gz KKPNLQBQANCZII-LBPRGKRZSA-N 0 3 321.377 2.105 20 5 DEBDHN CN(C)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccc(F)cc1 ZINC000290562684 404222228 /nfs/dbraw/zinc/22/22/28/404222228.db2.gz PKARWIAYSWOAEY-CYBMUJFWSA-N 0 3 320.324 2.095 20 5 DEBDHN C[C@H](NC(=O)NCCN(C)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000296313717 404190604 /nfs/dbraw/zinc/19/06/04/404190604.db2.gz FTFDNHLQGYDGBY-NSHDSACASA-N 0 3 306.366 2.049 20 5 DEBDHN Cn1cc(C[C@H]2CCN(Cc3ccccc3[N+](=O)[O-])C2)cn1 ZINC000370006390 404300691 /nfs/dbraw/zinc/30/06/91/404300691.db2.gz CMAHYZAQYRKHLO-CYBMUJFWSA-N 0 3 300.362 2.393 20 5 DEBDHN Cc1c(C(=O)N2CC[C@@H](N3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000364091230 404316170 /nfs/dbraw/zinc/31/61/70/404316170.db2.gz RBBLBEBZPVHZBV-CYBMUJFWSA-N 0 3 303.362 2.214 20 5 DEBDHN COC[C@@](C)(CC(=O)OC)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000350313046 404365255 /nfs/dbraw/zinc/36/52/55/404365255.db2.gz DYKHAROEVXVSLE-IQIBNGDESA-N 0 3 322.361 2.166 20 5 DEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@H]1CCS(=O)(=O)C1 ZINC000344841893 404399160 /nfs/dbraw/zinc/39/91/60/404399160.db2.gz DVPSGKQPMLOABL-YRBHFNIASA-N 0 3 324.402 2.022 20 5 DEBDHN CN(CCc1ccccc1[N+](=O)[O-])Cc1ccc(C(N)=O)cc1 ZINC000352545330 404447667 /nfs/dbraw/zinc/44/76/67/404447667.db2.gz WLEQJHFSTXMAPP-UHFFFAOYSA-N 0 3 313.357 2.368 20 5 DEBDHN O=C(CN[C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])NC1CC1 ZINC000297466536 404558713 /nfs/dbraw/zinc/55/87/13/404558713.db2.gz QSQRADFISIUFBO-WFASDCNBSA-N 0 3 317.389 2.174 20 5 DEBDHN C[C@H](N[C@@H]1CCC[C@]1(C)CO)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000351514713 404619546 /nfs/dbraw/zinc/61/95/46/404619546.db2.gz CTSGUZNANNPIDM-SGIREYDYSA-N 0 3 321.377 2.063 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000374889589 404713234 /nfs/dbraw/zinc/71/32/34/404713234.db2.gz CIQTWBVVAMCMLC-IUODEOHRSA-N 0 3 303.362 2.069 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000415478692 404867730 /nfs/dbraw/zinc/86/77/30/404867730.db2.gz DHCBUJUAFRNCHS-RYUDHWBXSA-N 0 3 306.366 2.426 20 5 DEBDHN Cn1ccnc1CN[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000361109931 404923641 /nfs/dbraw/zinc/92/36/41/404923641.db2.gz GFMWNPWAAGQXJC-AWEZNQCLSA-N 0 3 300.362 2.439 20 5 DEBDHN Cc1ccc([C@H](C)NCCN2C[C@H]3CC[C@@H](C2)O3)cc1[N+](=O)[O-] ZINC000367590776 405095382 /nfs/dbraw/zinc/09/53/82/405095382.db2.gz URKJEDPXODYIFR-CWRNSKLLSA-N 0 3 319.405 2.417 20 5 DEBDHN Cc1ccccc1OC[C@H](O)CNCc1cccc([N+](=O)[O-])c1 ZINC000390580709 405046438 /nfs/dbraw/zinc/04/64/38/405046438.db2.gz DPIHTSVMCHCURG-MRXNPFEDSA-N 0 3 316.357 2.433 20 5 DEBDHN O=[N+]([O-])c1cnn(CCNCc2c[nH]nc2-c2ccsc2)c1 ZINC000436297965 405068789 /nfs/dbraw/zinc/06/87/89/405068789.db2.gz OCFXAMCYJLLPOE-UHFFFAOYSA-N 0 3 318.362 2.033 20 5 DEBDHN CO[C@@H]1C[C@@H](N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000439507957 405283234 /nfs/dbraw/zinc/28/32/34/405283234.db2.gz BMNCSTDGYBJQRH-ZLKJLUDKSA-N 0 3 321.377 2.325 20 5 DEBDHN CO[C@@H]1C[C@@H](N[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC000439523550 405284221 /nfs/dbraw/zinc/28/42/21/405284221.db2.gz YGIFEYKNEDJLKS-LERXQTSPSA-N 0 3 321.377 2.325 20 5 DEBDHN CNC(=O)[C@@H]1CCC[C@H]1N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447581437 405418225 /nfs/dbraw/zinc/41/82/25/405418225.db2.gz UNGFJYVTDJCMPX-BMFZPTHFSA-N 0 3 317.389 2.477 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)C[C@H]1CCCN1C ZINC000421087495 405445794 /nfs/dbraw/zinc/44/57/94/405445794.db2.gz BZJKLQGABVVJPH-CYBMUJFWSA-N 0 3 306.366 2.461 20 5 DEBDHN CN(C[C@@H]1CCCN1C)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000421706403 405599267 /nfs/dbraw/zinc/59/92/67/405599267.db2.gz URHUIEHXNUTCAU-JTQLQIEISA-N 0 3 311.769 2.414 20 5 DEBDHN CCN1CCCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000421769537 405638206 /nfs/dbraw/zinc/63/82/06/405638206.db2.gz SHBXPHSNGBNBFT-UHFFFAOYSA-N 0 3 305.378 2.379 20 5 DEBDHN COC[C@]1(CO)CCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000449698913 405698021 /nfs/dbraw/zinc/69/80/21/405698021.db2.gz OUYXBWAZCHSOIV-XMCSSRMMSA-N 0 3 320.389 2.329 20 5 DEBDHN N[C@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000423164956 405708700 /nfs/dbraw/zinc/70/87/00/405708700.db2.gz PCGMUFXLSRDERS-HNNXBMFYSA-N 0 3 305.378 2.161 20 5 DEBDHN CS(=O)(=O)[C@@H]1CCC[C@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000077459162 286628164 /nfs/dbraw/zinc/62/81/64/286628164.db2.gz PZNSUTWETCOGNR-GXTWGEPZSA-N 0 3 312.391 2.040 20 5 DEBDHN CC(C)Oc1nc(N2CCN(C)CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000583574836 405764848 /nfs/dbraw/zinc/76/48/48/405764848.db2.gz KTUPHDXPYZMJLN-GFCCVEGCSA-N 0 3 308.382 2.307 20 5 DEBDHN COC(=O)Cc1ccc(N[C@@H]2CCCN(C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000450432619 405894384 /nfs/dbraw/zinc/89/43/84/405894384.db2.gz BCEDJKCHRTZMPE-DGCLKSJQSA-N 0 3 321.377 2.205 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](CN2CCOC2=O)C1 ZINC000496346976 405965684 /nfs/dbraw/zinc/96/56/84/405965684.db2.gz OOJOVHSEITUDEO-CYBMUJFWSA-N 0 3 319.361 2.177 20 5 DEBDHN CCc1nn(C)c(NC[C@@H]2CCCCN2C2CC2)c1[N+](=O)[O-] ZINC000433809436 405986137 /nfs/dbraw/zinc/98/61/37/405986137.db2.gz UUVVMSFBMZGSER-LBPRGKRZSA-N 0 3 307.398 2.320 20 5 DEBDHN C[C@@H](CCCc1cccnc1)NCc1c([N+](=O)[O-])ncn1C ZINC000459642637 405994421 /nfs/dbraw/zinc/99/44/21/405994421.db2.gz NHHRXGSILYFQNX-LBPRGKRZSA-N 0 3 303.366 2.224 20 5 DEBDHN COCCN1CC[C@@H](N[C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000532513210 406081994 /nfs/dbraw/zinc/08/19/94/406081994.db2.gz TZGTVYKQWPZKJV-ZIAGYGMSSA-N 0 3 307.394 2.275 20 5 DEBDHN CC(C)CN1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000532690991 406093418 /nfs/dbraw/zinc/09/34/18/406093418.db2.gz SZDMTXDSLQEWCZ-CYBMUJFWSA-N 0 3 322.409 2.174 20 5 DEBDHN CN1CC[C@H](C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000536552283 406264514 /nfs/dbraw/zinc/26/45/14/406264514.db2.gz PZLWZRDDHPGMPJ-WFASDCNBSA-N 0 3 321.402 2.121 20 5 DEBDHN C[C@@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCCC1 ZINC000545494746 406321708 /nfs/dbraw/zinc/32/17/08/406321708.db2.gz MMVYOQPGZIWLGQ-NSHDSACASA-N 0 3 316.361 2.290 20 5 DEBDHN CN1CCC[C@@H](CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000521730577 406363529 /nfs/dbraw/zinc/36/35/29/406363529.db2.gz PKKPLXZPMWZFHC-NSHDSACASA-N 0 3 316.361 2.148 20 5 DEBDHN O=C1NCC[C@@H]1CCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000570813536 406442847 /nfs/dbraw/zinc/44/28/47/406442847.db2.gz QWJVTMDYXQGBIC-CYBMUJFWSA-N 0 3 303.362 2.085 20 5 DEBDHN C[C@@H]1CCN(CCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000524776507 406459593 /nfs/dbraw/zinc/45/95/93/406459593.db2.gz OLWHMYYWIZUZBY-SNVBAGLBSA-N 0 3 311.769 2.320 20 5 DEBDHN CN(C)C[C@@H]1CCCN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000491462968 406598600 /nfs/dbraw/zinc/59/86/00/406598600.db2.gz HUUAHZKRFMLFNO-HVHJFMEUSA-N 0 3 303.362 2.161 20 5 DEBDHN CC[C@H](O)CN(CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000134497293 196396934 /nfs/dbraw/zinc/39/69/34/196396934.db2.gz GHHYHGPKURSTNZ-INIZCTEOSA-N 0 3 318.377 2.064 20 5 DEBDHN C[C@@H](Nc1ccc(N)c([N+](=O)[O-])n1)[C@H](c1ccccc1)N(C)C ZINC000596216869 425020796 /nfs/dbraw/zinc/02/07/96/425020796.db2.gz NINGKLUGMNJTAG-IAQYHMDHSA-N 0 3 315.377 2.675 20 5 DEBDHN C[C@H]1[C@H](Nc2nc3ccccc3cc2[N+](=O)[O-])CCCN1C ZINC000352361022 425044966 /nfs/dbraw/zinc/04/49/66/425044966.db2.gz PQYDIPSUKFENCH-WCQYABFASA-N 0 3 300.362 3.038 20 5 DEBDHN CS[C@@H]1CN(c2nccc(C)c2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000274652114 274183380 /nfs/dbraw/zinc/18/33/80/274183380.db2.gz HKZUKTAQWXXFJM-QWHCGFSZSA-N 0 3 322.434 2.314 20 5 DEBDHN C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N(C)C1CC1 ZINC000411976177 274223074 /nfs/dbraw/zinc/22/30/74/274223074.db2.gz IANLKEUDSXVXJQ-KNXALSJPSA-N 0 3 317.389 2.297 20 5 DEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@@H]2CCCCN2C1=O ZINC000453414546 274498688 /nfs/dbraw/zinc/49/86/88/274498688.db2.gz BFQJLFFNUKLYCJ-VHDGCEQUSA-N 0 3 317.389 2.269 20 5 DEBDHN O=C1C[C@@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CN1C1CC1 ZINC000193013454 275019720 /nfs/dbraw/zinc/01/97/20/275019720.db2.gz AGGZCCHAVRXDOG-WBMJQRKESA-N 0 3 315.373 2.325 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1N1CC[C@H](N3CC=CC3)C1)CCN2 ZINC000278456526 275038600 /nfs/dbraw/zinc/03/86/00/275038600.db2.gz SGBQKLBUTBRIFP-LBPRGKRZSA-N 0 3 300.362 2.013 20 5 DEBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000252107399 278259441 /nfs/dbraw/zinc/25/94/41/278259441.db2.gz HGGMCJZNMJQKHS-STQMWFEESA-N 0 3 305.378 2.445 20 5 DEBDHN CCN(C)CCNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000354027555 279032319 /nfs/dbraw/zinc/03/23/19/279032319.db2.gz IPYRHROAFFDGGC-NSHDSACASA-N 0 3 311.407 2.143 20 5 DEBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180970541 279309144 /nfs/dbraw/zinc/30/91/44/279309144.db2.gz OTWNESZDVWKJTC-VXGBXAGGSA-N 0 3 320.393 2.027 20 5 DEBDHN Cc1c(C(=O)N(C)[C@H]2CCN(C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000247322613 280204060 /nfs/dbraw/zinc/20/40/60/280204060.db2.gz IEBFBVKYRNIUBC-RISCZKNCSA-N 0 3 305.378 2.315 20 5 DEBDHN C[C@H](C(=O)N(C)C[C@@H]1CCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000575800960 326246739 /nfs/dbraw/zinc/24/67/39/326246739.db2.gz WFFVNWHAMKBLFH-UONOGXRCSA-N 0 3 319.405 2.499 20 5 DEBDHN O=[N+]([O-])c1cccc(CNC[C@H](O)COc2ccccc2)c1 ZINC000378905888 333062479 /nfs/dbraw/zinc/06/24/79/333062479.db2.gz LKEAYAULNMXNGJ-HNNXBMFYSA-N 0 3 302.330 2.124 20 5 DEBDHN C[C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000294564830 534075470 /nfs/dbraw/zinc/07/54/70/534075470.db2.gz JPCANOJUUFPAHO-CQSZACIVSA-N 0 3 321.421 2.459 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000292366765 534333835 /nfs/dbraw/zinc/33/38/35/534333835.db2.gz WLXHHVLHCPESIV-MRXNPFEDSA-N 0 3 303.362 2.071 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000292911440 534340546 /nfs/dbraw/zinc/34/05/46/534340546.db2.gz XBSKFXZEVKSHLQ-INIZCTEOSA-N 0 3 318.377 2.463 20 5 DEBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](CN2CCOCC2)C1 ZINC000246717993 526083789 /nfs/dbraw/zinc/08/37/89/526083789.db2.gz LMZPGYPSNWFNTB-CABCVRRESA-N 0 3 319.405 2.310 20 5 DEBDHN CN1CCC2(CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000373185997 536349971 /nfs/dbraw/zinc/34/99/71/536349971.db2.gz BSYIEKLNOXRIHP-UHFFFAOYSA-N 0 3 303.362 2.039 20 5 DEBDHN COc1c([O-])ccc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000892609243 625191912 /nfs/dbraw/zinc/19/19/12/625191912.db2.gz YYKYKWJKFDJDBV-CHWSQXEVSA-N 0 3 321.377 2.025 20 5 DEBDHN COc1c([O-])ccc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000892609243 625191914 /nfs/dbraw/zinc/19/19/14/625191914.db2.gz YYKYKWJKFDJDBV-CHWSQXEVSA-N 0 3 321.377 2.025 20 5 DEBDHN O=C(N[C@H]1CCN(CC2CC2)C1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000108305101 636578069 /nfs/dbraw/zinc/57/80/69/636578069.db2.gz ZWJHYYQLCDQFPZ-LBPRGKRZSA-N 0 3 323.780 2.462 20 5 DEBDHN CCCCN(CCCO)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894473999 637061173 /nfs/dbraw/zinc/06/11/73/637061173.db2.gz CZLBBOKKCSHGEH-UHFFFAOYSA-N 0 3 312.366 2.294 20 5 DEBDHN COc1c(O)ccc(CN[C@@H](C)[C@H](OC)C2CC2)c1[N+](=O)[O-] ZINC000894755461 637196340 /nfs/dbraw/zinc/19/63/40/637196340.db2.gz RDUPJBRUTVKROA-XPTSAGLGSA-N 0 3 310.350 2.212 20 5 DEBDHN CSc1ccc(C(=O)N[C@@H]2CCN(C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000928454472 637291543 /nfs/dbraw/zinc/29/15/43/637291543.db2.gz NGRNGMFUOOLPIZ-MWLCHTKSSA-N 0 3 309.391 2.139 20 5 DEBDHN CO[C@H](CNCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000895310113 637912297 /nfs/dbraw/zinc/91/22/97/637912297.db2.gz QFVKEOJRTLUQEU-SMDDNHRTSA-N 0 3 314.769 2.389 20 5 DEBDHN COc1c(O)ccc(CN[C@H]2[C@@H](C)[C@H](C)O[C@H]2C)c1[N+](=O)[O-] ZINC000895624320 638119074 /nfs/dbraw/zinc/11/90/74/638119074.db2.gz GBTBFGFKIHOWNC-YVNDNENWSA-N 0 3 310.350 2.211 20 5 DEBDHN COc1ccccc1CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749648077 638668692 /nfs/dbraw/zinc/66/86/92/638668692.db2.gz RAPVXZJOGJKORY-OAHLLOKOSA-N 0 3 302.330 2.427 20 5 DEBDHN CC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@H]2CN(C)C[C@@]2(C)C1 ZINC000896912902 639068485 /nfs/dbraw/zinc/06/84/85/639068485.db2.gz IRXRDTITWDNNBL-WBMJQRKESA-N 0 3 303.362 2.185 20 5 DEBDHN Cc1nn(C)cc1[C@H](C)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765850632 640824693 /nfs/dbraw/zinc/82/46/93/640824693.db2.gz YNDSRNIMMPHYPI-BONVTDFDSA-N 0 3 304.350 2.021 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H](O)c1cnn(C)c1 ZINC000766183518 640855752 /nfs/dbraw/zinc/85/57/52/640855752.db2.gz KOUKPHZFXWTMTC-IAQYHMDHSA-N 0 3 304.350 2.021 20 5 DEBDHN CCN1C[C@H](C)N(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000766249964 640863111 /nfs/dbraw/zinc/86/31/11/640863111.db2.gz LFHHUXDTJCSOQN-WWGRRREGSA-N 0 3 307.394 2.043 20 5 DEBDHN Cc1c([C@@H](C)NC[C@H](O)c2ccnn2C)cccc1[N+](=O)[O-] ZINC000927132965 641674593 /nfs/dbraw/zinc/67/45/93/641674593.db2.gz PKSKRRAPWPTZMB-ABAIWWIYSA-N 0 3 304.350 2.021 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H](O)c1ccnn1C ZINC000927133248 641680149 /nfs/dbraw/zinc/68/01/49/641680149.db2.gz PUGGWZYZJOHYSZ-NHYWBVRUSA-N 0 3 304.350 2.021 20 5 DEBDHN O=[N+]([O-])c1ccc(Cl)cc1CN[C@H](CO)C1CCOCC1 ZINC000782530577 642892760 /nfs/dbraw/zinc/89/27/60/642892760.db2.gz XHUNUTBEMDXSHM-CYBMUJFWSA-N 0 3 314.769 2.125 20 5 DEBDHN COc1nn(C)cc1CN[C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000903346825 643321796 /nfs/dbraw/zinc/32/17/96/643321796.db2.gz XGXGTHOQZKHFKG-JTQLQIEISA-N 0 3 322.340 2.197 20 5 DEBDHN CC(COC(=O)COCc1nc2ccccc2s1)[N+](=O)[O-] ZINC000813101808 646728340 /nfs/dbraw/zinc/72/83/40/646728340.db2.gz JELXBYQSIIHEEZ-SECBINFHSA-N 0 3 310.331 2.021 20 5 DEBDHN CC(COC(=O)CCc1cccc(OC(C)(C)C)n1)[N+](=O)[O-] ZINC000813103275 646728542 /nfs/dbraw/zinc/72/85/42/646728542.db2.gz ZQIYGRXBNUOHQT-NSHDSACASA-N 0 3 310.350 2.400 20 5 DEBDHN CC(COC(=O)c1ccc(N2CCC(C)CC2)nc1)[N+](=O)[O-] ZINC000813104228 646729547 /nfs/dbraw/zinc/72/95/47/646729547.db2.gz YMAXVQLAFKNMME-GFCCVEGCSA-N 0 3 307.350 2.140 20 5 DEBDHN Cc1nn(Cc2ccccc2)c(C)c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813105994 646729878 /nfs/dbraw/zinc/72/98/78/646729878.db2.gz XGBWEKLRIMWYCM-LLVKDONJSA-N 0 3 317.345 2.370 20 5 DEBDHN CC(COC(=O)[C@H]1CCCCN1Cc1ccccc1)[N+](=O)[O-] ZINC000813110141 646730663 /nfs/dbraw/zinc/73/06/63/646730663.db2.gz ZWHNFQDKFLAACE-UKRRQHHQSA-N 0 3 306.362 2.250 20 5 DEBDHN CC(COC(=O)c1cccc(C(=O)OC(C)(C)C)c1)[N+](=O)[O-] ZINC000813111762 646731136 /nfs/dbraw/zinc/73/11/36/646731136.db2.gz XAVJLOMFBUOXOE-JTQLQIEISA-N 0 3 309.318 2.464 20 5 DEBDHN O=[N+]([O-])c1ccc(CN[C@@H](C2CC2)[C@@]2(CO)CCCO2)cc1F ZINC000815289110 646998371 /nfs/dbraw/zinc/99/83/71/646998371.db2.gz DGCUAWCWVZVQAF-HOTGVXAUSA-N 0 3 324.352 2.144 20 5 DEBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CC[C@@H](O)CC23CCC3)cc1 ZINC000817292587 647260757 /nfs/dbraw/zinc/26/07/57/647260757.db2.gz VBIOXMATDSXGOJ-CABCVRRESA-N 0 3 306.362 2.008 20 5 DEBDHN Cc1cc(F)cc(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)c1[N+](=O)[O-] ZINC000152948433 647303280 /nfs/dbraw/zinc/30/32/80/647303280.db2.gz SAFNBCFCCKAZIQ-JQWIXIFHSA-N 0 3 321.352 2.397 20 5 DEBDHN Cc1cc(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)cc(C)n1 ZINC000819377056 647647252 /nfs/dbraw/zinc/64/72/52/647647252.db2.gz JEKZNWMYCTYJDI-MRXNPFEDSA-N 0 3 301.346 2.430 20 5 DEBDHN COC[C@](C)(O)CCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000824559167 648610231 /nfs/dbraw/zinc/61/02/31/648610231.db2.gz ISHQUMCYGWAOMZ-CYBMUJFWSA-N 0 3 302.758 2.125 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCN[C@@H](C(C)C)C1 ZINC000824777421 648651803 /nfs/dbraw/zinc/65/18/03/648651803.db2.gz DSRMHWOERWFPLJ-CYBMUJFWSA-N 0 3 305.378 2.282 20 5 DEBDHN CCCN1CCC[C@H]1C(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000825654995 648794531 /nfs/dbraw/zinc/79/45/31/648794531.db2.gz HZYOSPQMLMHOFO-AWEZNQCLSA-N 0 3 305.378 2.394 20 5 DEBDHN CC(C)(C)N1CC[C@H]1COC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000845738458 651276271 /nfs/dbraw/zinc/27/62/71/651276271.db2.gz OIOOIEWBTBLMEV-NSHDSACASA-N 0 3 307.350 2.207 20 5 DEBDHN CC[C@@H](C)c1nc(C)c(CC(=O)OCC(C)[N+](=O)[O-])c(C)n1 ZINC000847713959 651412853 /nfs/dbraw/zinc/41/28/53/651412853.db2.gz GVDFCVQCXLYQDK-NXEZZACHSA-N 0 3 309.366 2.358 20 5 DEBDHN Cn1nnc2c1CC[C@H](NCc1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000848564659 651471585 /nfs/dbraw/zinc/47/15/85/651471585.db2.gz ASTZLXFCUPCXIJ-NSHDSACASA-N 0 3 321.768 2.024 20 5 DEBDHN CC(C)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CCN1 ZINC000856489929 651941713 /nfs/dbraw/zinc/94/17/13/651941713.db2.gz ROEQAQITVBDKRV-LBPRGKRZSA-N 0 3 311.769 2.318 20 5 DEBDHN CSc1cccc(C(=O)N[C@H]2CCN(C)[C@@H]2C)c1[N+](=O)[O-] ZINC000928436087 693779027 /nfs/dbraw/zinc/77/90/27/693779027.db2.gz IMMXTCZJGGNPDS-KOLCDFICSA-N 0 3 309.391 2.139 20 5 DEBDHN CC(C)(NC[C@@H]1C[C@H]2COC[C@H]2O1)c1ccccc1[N+](=O)[O-] ZINC000930555205 694188948 /nfs/dbraw/zinc/18/89/48/694188948.db2.gz TXINIVREEHGRCY-SLEUVZQESA-N 0 3 306.362 2.223 20 5 DEBDHN CC(COC(=O)Cc1ccccc1C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000870378797 688552863 /nfs/dbraw/zinc/55/28/63/688552863.db2.gz XOXFAILLNRGGRQ-LLVKDONJSA-N 0 3 323.345 2.393 20 5 DEBDHN CONC(=O)C1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000872099207 688928092 /nfs/dbraw/zinc/92/80/92/688928092.db2.gz MOKICFLSUZGKRD-LBPRGKRZSA-N 0 3 321.377 2.354 20 5 DEBDHN CC(C)Oc1nc(N2CC[C@@H]3[C@@H]2CCCN3C)ccc1[N+](=O)[O-] ZINC000872779572 689091109 /nfs/dbraw/zinc/09/11/09/689091109.db2.gz RBTARDKMZGWMOT-OLZOCXBDSA-N 0 3 320.393 2.450 20 5 DEBDHN CCN(C(=O)NCc1ccc(C)c([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000876169303 689773043 /nfs/dbraw/zinc/77/30/43/689773043.db2.gz SOESJDHPEIJWLB-AWEZNQCLSA-N 0 3 320.393 2.139 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN(C)[C@@H]1CCN2CCO[C@H]1C2 ZINC000877556435 690150880 /nfs/dbraw/zinc/15/08/80/690150880.db2.gz GKHJZLKSBFLCCF-SJORKVTESA-N 0 3 319.405 2.117 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H]1Cc1ccccc1 ZINC000878176086 690335932 /nfs/dbraw/zinc/33/59/32/690335932.db2.gz CJJUFPGCWVALBY-OAHLLOKOSA-N 0 3 300.362 2.417 20 5 DEBDHN CC(C)(O)C1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000879627549 690693712 /nfs/dbraw/zinc/69/37/12/690693712.db2.gz JXJXOKHKZGQQSF-OAHLLOKOSA-N 0 3 308.378 2.111 20 5 DEBDHN C[C@@H](c1ccccc1)[C@H](CO)NCc1cccnc1[N+](=O)[O-] ZINC000886136666 692009742 /nfs/dbraw/zinc/00/97/42/692009742.db2.gz TVVCPMUIENUPCJ-WFASDCNBSA-N 0 3 301.346 2.244 20 5 DEBDHN COc1cc(CNC[C@@H]2CC3(CCC3)CO2)c([N+](=O)[O-])cc1O ZINC000886288853 692045767 /nfs/dbraw/zinc/04/57/67/692045767.db2.gz JAPOCGFHFIYJMA-LBPRGKRZSA-N 0 3 322.361 2.358 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC000931922639 694507123 /nfs/dbraw/zinc/50/71/23/694507123.db2.gz JRJDMENVLDKKSI-WBVHZDCISA-N 0 3 312.373 2.373 20 5 DEBDHN Cc1nc([C@H]2CCN(CCc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000931948841 694513195 /nfs/dbraw/zinc/51/31/95/694513195.db2.gz LAQKYSXQIVYPQZ-ZDUSSCGKSA-N 0 3 302.334 2.318 20 5 DEBDHN CC(C)C(=O)N1C[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC001048685286 692677865 /nfs/dbraw/zinc/67/78/65/692677865.db2.gz OILBKSHLUJXNDR-GASCZTMLSA-N 0 3 317.389 2.141 20 5 DEBDHN COc1c([O-])ccc(C[NH2+]CC[C@H]2CCCOC2)c1[N+](=O)[O-] ZINC000895560557 692997487 /nfs/dbraw/zinc/99/74/87/692997487.db2.gz LCAPEFLUPHXBJP-LLVKDONJSA-N 0 3 310.350 2.215 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000926943869 693532641 /nfs/dbraw/zinc/53/26/41/693532641.db2.gz WPTMJVFHIFTZDF-BQNAKDMGSA-N 0 3 322.361 2.058 20 5 DEBDHN COc1ccc(NC(=O)NC[C@H]2CCCCN2C)c([N+](=O)[O-])c1 ZINC001345874692 1150922526 /nfs/dbraw/zinc/92/25/26/1150922526.db2.gz AFYGUWWKDRVEGO-LLVKDONJSA-N 0 3 322.365 2.209 20 5 DEBDHN C[C@@H]1CN(c2cnc3ccc([N+](=O)[O-])cc3n2)[C@@H](C)CN1C ZINC001164632914 719163416 /nfs/dbraw/zinc/16/34/16/719163416.db2.gz FTXUKKIIENTCKS-MNOVXSKESA-N 0 3 301.350 2.067 20 5 DEBDHN C[C@@H]1CN(c2cc(/C=C\N(C)C)c([N+](=O)[O-])cn2)[C@@H](C)CN1C ZINC001164634076 719232981 /nfs/dbraw/zinc/23/29/81/719232981.db2.gz FNDVQKPHIAZHCB-FAVCKAPTSA-N 0 3 319.409 2.051 20 5 DEBDHN Cc1cscc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001125374917 776847149 /nfs/dbraw/zinc/84/71/49/776847149.db2.gz BZZBTQQFILLAAI-UHFFFAOYSA-N 0 3 319.386 2.484 20 5 DEBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1ccoc1Cl ZINC001126360601 778826306 /nfs/dbraw/zinc/82/63/06/778826306.db2.gz OFRKASFCMLRMBC-UHFFFAOYSA-N 0 3 323.736 2.361 20 5 DEBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)C1 ZINC001169026618 785020084 /nfs/dbraw/zinc/02/00/84/785020084.db2.gz YBYCQWKMULAAPO-DRRXZNNHSA-N 0 3 324.421 2.090 20 5 DEBDHN COc1cc(CCNc2cc3c(cc2[N+](=O)[O-])CNC3)ccn1 ZINC001169227143 785096072 /nfs/dbraw/zinc/09/60/72/785096072.db2.gz YEFOLTZNARZZCR-UHFFFAOYSA-N 0 3 314.345 2.256 20 5 DEBDHN C[C@H](N)c1ccn(-c2ccc(-c3cccc([N+](=O)[O-])c3)nn2)n1 ZINC001169230017 785098583 /nfs/dbraw/zinc/09/85/83/785098583.db2.gz NVMQQQKUNZZBOU-JTQLQIEISA-N 0 3 310.317 2.257 20 5 DEBDHN CCN1CCN([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170327213 786909434 /nfs/dbraw/zinc/90/94/34/786909434.db2.gz FVZOIYXOZISSOS-CYBMUJFWSA-N 0 3 307.394 2.172 20 5 DEBDHN COc1ccc(C[C@H](C)N2CC[C@](C)(CO)C2)c([N+](=O)[O-])c1 ZINC001170329065 786910837 /nfs/dbraw/zinc/91/08/37/786910837.db2.gz NVWXOSRTAVLPTD-LRDDRELGSA-N 0 3 308.378 2.239 20 5 DEBDHN COc1ccc(C[C@@H](C)N2C[C@H]3CC[C@@H](C2)N3C)c([N+](=O)[O-])c1 ZINC001170353424 786917013 /nfs/dbraw/zinc/91/70/13/786917013.db2.gz YADMAGCCAONCHT-YUELXQCFSA-N 0 3 319.405 2.313 20 5 DEBDHN Cc1ccc2c(ccnc2N[C@H](C)[C@@H]2CNCCO2)c1[N+](=O)[O-] ZINC001170561181 787623748 /nfs/dbraw/zinc/62/37/48/787623748.db2.gz CNIDARYOHJMPDV-RISCZKNCSA-N 0 3 316.361 2.240 20 5 DEBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)C1(C2CC2)CCC1 ZINC001131912766 787798663 /nfs/dbraw/zinc/79/86/63/787798663.db2.gz CVTHYYSKVBVFGG-UHFFFAOYSA-N 0 3 317.389 2.381 20 5 DEBDHN CCc1ccoc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001133401281 788404193 /nfs/dbraw/zinc/40/41/93/788404193.db2.gz CPLWPCPDJGENFY-UHFFFAOYSA-N 0 3 317.345 2.270 20 5 DEBDHN CC(C)C1(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)CC1 ZINC001133557241 788486590 /nfs/dbraw/zinc/48/65/90/788486590.db2.gz XUWJYONWQVXILY-UHFFFAOYSA-N 0 3 305.378 2.237 20 5 DEBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)C(C1CC1)C1CC1 ZINC001147173410 791478177 /nfs/dbraw/zinc/47/81/77/791478177.db2.gz ANAUJFDURCOBTD-UHFFFAOYSA-N 0 3 317.389 2.237 20 5 DEBDHN COCCOCCCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000234809064 791627885 /nfs/dbraw/zinc/62/78/85/791627885.db2.gz LOUMNJJXPYJVRF-UHFFFAOYSA-N 0 3 302.758 2.391 20 5 DEBDHN COC(=O)C[C@H]1CCCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750050401 791966661 /nfs/dbraw/zinc/96/66/61/791966661.db2.gz AEUHSVXSOBVYBL-UKRRQHHQSA-N 0 3 322.361 2.046 20 5 DEBDHN CCOC(=O)C1CN([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172916914 793531555 /nfs/dbraw/zinc/53/15/55/793531555.db2.gz UYMDZVFQXVJINR-OAHLLOKOSA-N 0 3 318.373 2.337 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)NCc2ccnn2C)c1F ZINC001173174865 793618278 /nfs/dbraw/zinc/61/82/78/793618278.db2.gz DWKMWOPYAFXDEH-JTQLQIEISA-N 0 3 322.340 2.197 20 5 DEBDHN CCN1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2C)C(C)(C)C1 ZINC001178856802 795021328 /nfs/dbraw/zinc/02/13/28/795021328.db2.gz NIIWBZQBERSCJH-CQSZACIVSA-N 0 3 305.378 2.363 20 5 DEBDHN C[NH+]1CCC2(CCCN(c3cc[n-]c(=O)c3[N+](=O)[O-])C2)CC1 ZINC001118532270 795198083 /nfs/dbraw/zinc/19/80/83/795198083.db2.gz SGZUWNWOYAXZFJ-UHFFFAOYSA-N 0 3 306.366 2.008 20 5 DEBDHN Cc1ccsc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001122710379 795796828 /nfs/dbraw/zinc/79/68/28/795796828.db2.gz KWKPXRIFYNIQQE-UHFFFAOYSA-N 0 3 319.386 2.484 20 5 DEBDHN C/C(=C\C(=O)NCCNCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001124217007 796046847 /nfs/dbraw/zinc/04/68/47/796046847.db2.gz INNNTSPQFVKJTF-FMIVXFBMSA-N 0 3 303.362 2.157 20 5 DEBDHN COCCCCC(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001155510215 797776358 /nfs/dbraw/zinc/77/63/58/797776358.db2.gz BXOJYNDMNPXLQS-UHFFFAOYSA-N 0 3 323.393 2.007 20 5 DEBDHN Cc1nc(N[C@H]2CCCC[C@@]23CNCCO3)ccc1[N+](=O)[O-] ZINC001155824524 797856828 /nfs/dbraw/zinc/85/68/28/797856828.db2.gz UEBCVPWHTNDNBS-DZGCQCFKSA-N 0 3 306.366 2.011 20 5 DEBDHN O=C(NCCCNCc1csc([N+](=O)[O-])c1)C1=CCCC1 ZINC001156524240 798021761 /nfs/dbraw/zinc/02/17/61/798021761.db2.gz WDIWNDKMRQEJJQ-UHFFFAOYSA-N 0 3 309.391 2.363 20 5 DEBDHN CC(C)Oc1nc(N2C[C@H]3CCCN(C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC001157270771 798174190 /nfs/dbraw/zinc/17/41/90/798174190.db2.gz GGMRBGNEUUFWAE-OCCSQVGLSA-N 0 3 320.393 2.307 20 5 DEBDHN C[C@@H](N)c1ccn(-c2cc([N+](=O)[O-])cc3c(Cl)ncnc32)n1 ZINC001158355517 798392207 /nfs/dbraw/zinc/39/22/07/798392207.db2.gz JXBPJBYGISHTEX-SSDOTTSWSA-N 0 3 318.724 2.397 20 5 DEBDHN O=[N+]([O-])c1cnc(N2C[C@H]3c4ccccc4CN[C@@H]3C2)c(F)c1 ZINC001165349809 799710918 /nfs/dbraw/zinc/71/09/18/799710918.db2.gz GYDQEPFHTMDLPR-DZGCQCFKSA-N 0 3 314.320 2.205 20 5 DEBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CC[C@H](C)C1 ZINC000933928551 800216848 /nfs/dbraw/zinc/21/68/48/800216848.db2.gz BDKKCEGFYFMZTA-NSHDSACASA-N 0 3 323.418 2.388 20 5 DEBDHN C[C@@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cncs1 ZINC000934205321 800289896 /nfs/dbraw/zinc/28/98/96/800289896.db2.gz ZBAVXUGLGBVWHE-PWSUYJOCSA-N 0 3 323.374 2.142 20 5 DEBDHN CN1CC[C@@H](Oc2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC001229080522 801219501 /nfs/dbraw/zinc/21/95/01/801219501.db2.gz GGTGKUIFYHSQLL-SECBINFHSA-N 0 3 301.140 2.440 20 5 DEBDHN CCN1CCC[C@@H](Oc2cc([N+](=O)[O-])ccc2NC(C)=O)C1 ZINC001230245858 801375032 /nfs/dbraw/zinc/37/50/32/801375032.db2.gz DQVKXPIOIKICKN-CYBMUJFWSA-N 0 3 307.350 2.416 20 5 DEBDHN Nc1cc(O[C@H]2CCN(c3ccccc3[N+](=O)[O-])C2)ccn1 ZINC001226651778 803137297 /nfs/dbraw/zinc/13/72/97/803137297.db2.gz BMKRLRHDGOUDSR-LBPRGKRZSA-N 0 3 300.318 2.230 20 5 DEBDHN Cc1ccc(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])nc1 ZINC001335366452 1150401089 /nfs/dbraw/zinc/40/10/89/1150401089.db2.gz HSUMHWPZOWHHFP-UHFFFAOYSA-N 0 3 314.345 2.417 20 5 DEBDHN CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603999409 1070170499 /nfs/dbraw/zinc/17/04/99/1070170499.db2.gz WXAPMZKCQVYBOO-VHSXEESVSA-N 0 3 304.354 2.299 20 5 DEBDHN CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603999409 1070170507 /nfs/dbraw/zinc/17/05/07/1070170507.db2.gz WXAPMZKCQVYBOO-VHSXEESVSA-N 0 3 304.354 2.299 20 5 DEBDHN CC[C@H]1CCC[N@@H+]1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001604105181 1070221908 /nfs/dbraw/zinc/22/19/08/1070221908.db2.gz BFOFFTVTOOJDIY-JTQLQIEISA-N 0 3 302.338 2.149 20 5 DEBDHN CC[C@H]1CCC[N@H+]1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001604105181 1070221916 /nfs/dbraw/zinc/22/19/16/1070221916.db2.gz BFOFFTVTOOJDIY-JTQLQIEISA-N 0 3 302.338 2.149 20 5 DEBDHN CC[C@H]1CCC[N@@H+]1Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001604105181 1070221929 /nfs/dbraw/zinc/22/19/29/1070221929.db2.gz BFOFFTVTOOJDIY-JTQLQIEISA-N 0 3 302.338 2.149 20 5 DEBDHN CC[C@H]1CCC[N@H+]1Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001604105181 1070221935 /nfs/dbraw/zinc/22/19/35/1070221935.db2.gz BFOFFTVTOOJDIY-JTQLQIEISA-N 0 3 302.338 2.149 20 5 DEBDHN O=C(OC[C@H]1CCN1C1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC001520059421 1069094995 /nfs/dbraw/zinc/09/49/95/1069094995.db2.gz CRPNUODTKPSMTQ-OAHLLOKOSA-N 0 3 320.345 2.005 20 5 DEBDHN Cn1cc(CN[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)c([N+](=O)[O-])n1 ZINC001559901317 1075129945 /nfs/dbraw/zinc/12/99/45/1075129945.db2.gz AHEBLVAIWITBAV-NWDGAFQWSA-N 0 3 310.398 2.400 20 5 DEBDHN COc1cc(CN[C@H]2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1[O-] ZINC001560358684 1075138661 /nfs/dbraw/zinc/13/86/61/1075138661.db2.gz SLOMWRQJJHVVME-STQMWFEESA-N 0 3 323.393 2.271 20 5 DEBDHN CC(C)CC[N@H+](C)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589600507 1076501800 /nfs/dbraw/zinc/50/18/00/1076501800.db2.gz NQSKJNXJKBUIAG-UHFFFAOYSA-N 0 3 304.354 2.253 20 5 DEBDHN CC(C)CC[N@@H+](C)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589600507 1076501804 /nfs/dbraw/zinc/50/18/04/1076501804.db2.gz NQSKJNXJKBUIAG-UHFFFAOYSA-N 0 3 304.354 2.253 20 5 DEBDHN CC[C@]1(C)CC[N@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001590489449 1076638154 /nfs/dbraw/zinc/63/81/54/1076638154.db2.gz HHMVFGGDDZMSFB-OAHLLOKOSA-N 0 3 316.365 2.397 20 5 DEBDHN CC[C@]1(C)CC[N@@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001590489449 1076638156 /nfs/dbraw/zinc/63/81/56/1076638156.db2.gz HHMVFGGDDZMSFB-OAHLLOKOSA-N 0 3 316.365 2.397 20 5 DEBDHN O=C(N[C@@]12CCN(C1)CCC2)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001595645913 1077065346 /nfs/dbraw/zinc/06/53/46/1077065346.db2.gz GHJWNYBQAWOTJE-AWEZNQCLSA-N 0 3 309.753 2.216 20 5 DEBDHN CCC(C)(C)[N@H+](C)Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609183192 1077788070 /nfs/dbraw/zinc/78/80/70/1077788070.db2.gz WBUUUSJYJGWQLB-UHFFFAOYSA-N 0 3 304.354 2.395 20 5 DEBDHN CCC(C)(C)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609183192 1077788074 /nfs/dbraw/zinc/78/80/74/1077788074.db2.gz WBUUUSJYJGWQLB-UHFFFAOYSA-N 0 3 304.354 2.395 20 5 DEBDHN CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609198492 1077794149 /nfs/dbraw/zinc/79/41/49/1077794149.db2.gz BSDRMUHNBKLAPV-MNOVXSKESA-N 0 3 316.365 2.395 20 5 DEBDHN CC[C@H]1C[C@@H](C)C[N@H+]1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609198492 1077794152 /nfs/dbraw/zinc/79/41/52/1077794152.db2.gz BSDRMUHNBKLAPV-MNOVXSKESA-N 0 3 316.365 2.395 20 5 DEBDHN CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609198492 1077794154 /nfs/dbraw/zinc/79/41/54/1077794154.db2.gz BSDRMUHNBKLAPV-MNOVXSKESA-N 0 3 316.365 2.395 20 5 DEBDHN CC[C@H]1C[C@@H](C)C[N@H+]1Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609198492 1077794159 /nfs/dbraw/zinc/79/41/59/1077794159.db2.gz BSDRMUHNBKLAPV-MNOVXSKESA-N 0 3 316.365 2.395 20 5 DEBDHN NC(=O)[C@H]1CCCC[C@@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC001653213906 1079917794 /nfs/dbraw/zinc/91/77/94/1079917794.db2.gz USFAEJMSFQOWRZ-AAEUAGOBSA-N 0 3 311.769 2.382 20 5 DEBDHN CC(C)N(C)CC(=O)NC/C=C\CNc1ccc([N+](=O)[O-])cc1 ZINC001107233171 1080688009 /nfs/dbraw/zinc/68/80/09/1080688009.db2.gz LTIZKWOSYIZATI-PLNGDYQASA-N 0 3 320.393 2.019 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CCC[C@@H]1C(=O)OC ZINC001320709615 1140896816 /nfs/dbraw/zinc/89/68/16/1140896816.db2.gz WPLDBZYBBHUOIM-KBPBESRZSA-N 0 3 322.361 2.425 20 5 DEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC2(CCC(=O)N2)CC1 ZINC001254571374 1143254786 /nfs/dbraw/zinc/25/47/86/1143254786.db2.gz UBRWHVCUKJWCIQ-ZDUSSCGKSA-N 0 3 317.389 2.270 20 5 DEBDHN COC(=O)C[C@H]1CCCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254605525 1143279144 /nfs/dbraw/zinc/27/91/44/1143279144.db2.gz AZKUPUMZDMYOPJ-MLGOLLRUSA-N 0 3 318.373 2.337 20 5 DEBDHN COc1cc(C(=O)N2[C@H](C)CN[C@@H](C)[C@@H]2C)cc([N+](=O)[O-])c1C ZINC001342551311 1143823747 /nfs/dbraw/zinc/82/37/47/1143823747.db2.gz BCUYEYZBJDOHBP-USWWRNFRSA-N 0 3 321.377 2.123 20 5 DEBDHN N[C@@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC001326614687 1148165286 /nfs/dbraw/zinc/16/52/86/1148165286.db2.gz QQMIHODTPCPSMT-OAHLLOKOSA-N 0 3 305.378 2.161 20 5 DEBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H](C)CN1CCCCC1 ZINC000301498912 290623975 /nfs/dbraw/zinc/62/39/75/290623975.db2.gz CRUZJOMEKFXGNI-GFCCVEGCSA-N 0 3 320.393 2.241 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](CCO)C(C)(C)C ZINC000181473525 199302856 /nfs/dbraw/zinc/30/28/56/199302856.db2.gz XBYFBOARXBMREI-CQSZACIVSA-N 0 3 323.393 2.228 20 5 DEBDHN CCOC(C)(C)CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000614822476 362469826 /nfs/dbraw/zinc/46/98/26/362469826.db2.gz ROIQNGHDQYWWHN-UHFFFAOYSA-N 0 3 310.350 2.271 20 5 DEBDHN COC[C@@H](CO)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000279649116 215031032 /nfs/dbraw/zinc/03/10/32/215031032.db2.gz DVOWWRPYTLXKQJ-GFCCVEGCSA-N 0 3 322.386 2.420 20 5 DEBDHN CCOc1ccc([C@@H](C)NC[C@H](COC)OC)cc1[N+](=O)[O-] ZINC000272653557 210060561 /nfs/dbraw/zinc/06/05/61/210060561.db2.gz GCPIFFLEVFSMLJ-DGCLKSJQSA-N 0 3 312.366 2.306 20 5 DEBDHN C[C@H](O)C[C@H]1CCCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000279715516 215084210 /nfs/dbraw/zinc/08/42/10/215084210.db2.gz IKABFJWPMUDEKZ-JGGQBBKZSA-N 0 3 308.378 2.254 20 5 DEBDHN Cc1c(CC(=O)N[C@H]2CN(C3CC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000269586705 186392262 /nfs/dbraw/zinc/39/22/62/186392262.db2.gz BPURMGHSERPRRW-ABAIWWIYSA-N 0 3 317.389 2.045 20 5 DEBDHN O=[N+]([O-])c1cc(F)ccc1CN[C@@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000595505240 358467797 /nfs/dbraw/zinc/46/77/97/358467797.db2.gz PCFOJIZCOAZIOK-HOTGVXAUSA-N 0 3 324.352 2.144 20 5 DEBDHN NC(=O)c1ccc(CN2CCC[C@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000072693535 191215912 /nfs/dbraw/zinc/21/59/12/191215912.db2.gz GBKJSJPTAONRIB-RISCZKNCSA-N 0 3 303.362 2.458 20 5 DEBDHN Cc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc([N+](=O)[O-])c1 ZINC000174676248 198369507 /nfs/dbraw/zinc/36/95/07/198369507.db2.gz DVFGUEJVKTVVQL-KGLIPLIRSA-N 0 3 303.362 2.212 20 5 DEBDHN CN(Cc1ccccc1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026711293 354085043 /nfs/dbraw/zinc/08/50/43/354085043.db2.gz JMKAVHBHLGRLBG-MRXNPFEDSA-N 0 3 316.357 2.467 20 5 DEBDHN CCC1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000051451759 354384783 /nfs/dbraw/zinc/38/47/83/354384783.db2.gz YXSFDZBACPVMSN-OAHLLOKOSA-N 0 3 308.378 2.457 20 5 DEBDHN O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])NCCN1CCCCC1 ZINC000058257419 354588002 /nfs/dbraw/zinc/58/80/02/354588002.db2.gz UHJRIFNOMCTFRH-FNORWQNLSA-N 0 3 321.352 2.349 20 5 DEBDHN COc1ccc(C(=O)N2CCCN(C(C)C)CC2)cc1[N+](=O)[O-] ZINC000068800340 354833133 /nfs/dbraw/zinc/83/31/33/354833133.db2.gz SRXVYSJATICMJS-UHFFFAOYSA-N 0 3 321.377 2.160 20 5 DEBDHN CN(C)CCN1CCC(Nc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000075669298 355100390 /nfs/dbraw/zinc/10/03/90/355100390.db2.gz DFEOAZFEFHCCHG-UHFFFAOYSA-N 0 3 310.373 2.172 20 5 DEBDHN Cc1nn(C)c(N2CCCN(C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000077994962 355240209 /nfs/dbraw/zinc/24/02/09/355240209.db2.gz ISNKFXREOGOHBW-UHFFFAOYSA-N 0 3 307.398 2.091 20 5 DEBDHN Cc1c([C@H](C)NC[C@@H](O)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000090054318 355553877 /nfs/dbraw/zinc/55/38/77/355553877.db2.gz LICILWDMZRBKGX-BLLLJJGKSA-N 0 3 308.378 2.341 20 5 DEBDHN CN1CCC[C@H](CNC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000108338749 355735159 /nfs/dbraw/zinc/73/51/59/355735159.db2.gz MFHFQJLTNIRVCA-GFCCVEGCSA-N 0 3 323.418 2.145 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](C)C1CCOCC1 ZINC000179856775 356035162 /nfs/dbraw/zinc/03/51/62/356035162.db2.gz HFBOCTAWJCGFGK-GFCCVEGCSA-N 0 3 321.377 2.246 20 5 DEBDHN CC[C@H](C)[C@H](N)C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000236924389 202073434 /nfs/dbraw/zinc/07/34/34/202073434.db2.gz FXXMMFLITBGJDB-XPTSAGLGSA-N 0 3 317.349 2.297 20 5 DEBDHN O=[N+]([O-])c1cccc(CNC[C@@H](O)COCc2ccccc2)c1 ZINC000382179972 356674643 /nfs/dbraw/zinc/67/46/43/356674643.db2.gz ZEFILIWYWHZGCD-QGZVFWFLSA-N 0 3 316.357 2.262 20 5 DEBDHN C[C@@H](C(=O)N(C)CC1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000580023856 357066390 /nfs/dbraw/zinc/06/63/90/357066390.db2.gz GGWDNAHOUPZAGS-CYBMUJFWSA-N 0 3 319.405 2.499 20 5 DEBDHN C[C@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])[C@H](C)N1CCOCC1 ZINC000581260558 357159042 /nfs/dbraw/zinc/15/90/42/357159042.db2.gz JHZVMFWWLJDOHH-XEZPLFJOSA-N 0 3 319.405 2.281 20 5 DEBDHN CC(C)COC[C@@H](O)CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581677196 357229992 /nfs/dbraw/zinc/22/99/92/357229992.db2.gz TWPUTVQOZRMKCO-SWLSCSKDSA-N 0 3 308.378 2.205 20 5 DEBDHN C[S@](=O)C1(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])CCC1 ZINC000584790884 357310913 /nfs/dbraw/zinc/31/09/13/357310913.db2.gz WPISXEPYXPTHOR-ZSEKCTLFSA-N 0 3 308.403 2.473 20 5 DEBDHN O=[N+]([O-])c1cccc(CN[C@@H]([C@@H]2CCCO2)C2(CO)CCC2)c1 ZINC000589521376 357478026 /nfs/dbraw/zinc/47/80/26/357478026.db2.gz WZPVPZKYRAPRLR-HOTGVXAUSA-N 0 3 320.389 2.395 20 5 DEBDHN O=[N+]([O-])c1cc2c(cc1CNCCC[C@@H]1CCOC1)OCCO2 ZINC000590662337 357574982 /nfs/dbraw/zinc/57/49/82/357574982.db2.gz RQOMWMDLVQVDRX-GFCCVEGCSA-N 0 3 322.361 2.272 20 5 DEBDHN CN1CC[C@@H]2CN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)C[C@@H]21 ZINC000590776548 357609772 /nfs/dbraw/zinc/60/97/72/357609772.db2.gz YZPXAEZNVCIZED-MFKMUULPSA-N 0 3 315.329 2.117 20 5 DEBDHN O=C(CCN1CCC[C@@H]2COC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000590971688 357656243 /nfs/dbraw/zinc/65/62/43/357656243.db2.gz GBXMPTOMGLAJPC-DOMZBBRYSA-N 0 3 319.361 2.034 20 5 DEBDHN CCO[C@H]1C[C@@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000590970143 357656297 /nfs/dbraw/zinc/65/62/97/357656297.db2.gz UHGDEXAXWZZCQQ-TXEJJXNPSA-N 0 3 308.334 2.023 20 5 DEBDHN O=C1NCCC[C@@H]1CN[C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000591348201 357709643 /nfs/dbraw/zinc/70/96/43/357709643.db2.gz JAFDIBVGIBSUNI-CJNGLKHVSA-N 0 3 317.389 2.478 20 5 DEBDHN CC[C@H](NCc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@@H](O)C(C)C ZINC000591266019 357696512 /nfs/dbraw/zinc/69/65/12/357696512.db2.gz NBPFTRPZWMUYBV-LRDDRELGSA-N 0 3 324.377 2.251 20 5 DEBDHN C[C@H]1C[C@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CN1C1CC1 ZINC000593514742 358094978 /nfs/dbraw/zinc/09/49/78/358094978.db2.gz BVCFIMMXSNHZRN-GWCFXTLKSA-N 0 3 321.352 2.018 20 5 DEBDHN O=[N+]([O-])c1ccc(CNCC[C@@]2(O)CCCOC2)c(Cl)c1 ZINC000593688910 358123277 /nfs/dbraw/zinc/12/32/77/358123277.db2.gz XTDUVLXPBRTIIK-AWEZNQCLSA-N 0 3 314.769 2.269 20 5 DEBDHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)c1ccccc1[N+](=O)[O-] ZINC000594198164 358221828 /nfs/dbraw/zinc/22/18/28/358221828.db2.gz DPWQHYKEWCGLIN-UKRRQHHQSA-N 0 3 303.362 2.342 20 5 DEBDHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000594199224 358222683 /nfs/dbraw/zinc/22/26/83/358222683.db2.gz HWGWRYAUDRHLPK-HUUCEWRRSA-N 0 3 303.362 2.342 20 5 DEBDHN NC(=O)c1cccc([N+](=O)[O-])c1N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594599269 358301662 /nfs/dbraw/zinc/30/16/62/358301662.db2.gz IQKXWZCVDXBRKO-OLZOCXBDSA-N 0 3 318.377 2.123 20 5 DEBDHN COC(=O)COc1ccc(CN[C@]2(C)CC2(C)C)cc1[N+](=O)[O-] ZINC000594996514 358374755 /nfs/dbraw/zinc/37/47/55/358374755.db2.gz ONVJMGNKBSOXKZ-MRXNPFEDSA-N 0 3 322.361 2.425 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCCO[C@H]1CCOC1 ZINC000595018397 358378464 /nfs/dbraw/zinc/37/84/64/358378464.db2.gz NNHFFYPEKAWNTA-OCCSQVGLSA-N 0 3 324.377 2.450 20 5 DEBDHN CNC(=O)C(C)(C)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595024584 358380343 /nfs/dbraw/zinc/38/03/43/358380343.db2.gz BDTZZSURJUQRBA-JTQLQIEISA-N 0 3 309.366 2.026 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCC1(O)CCOCC1 ZINC000595051057 358383996 /nfs/dbraw/zinc/38/39/96/358383996.db2.gz RWHJRBGSPUTHIK-LBPRGKRZSA-N 0 3 324.377 2.186 20 5 DEBDHN Cc1noc(CN2CCCN(C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000595326916 358422449 /nfs/dbraw/zinc/42/24/49/358422449.db2.gz BCKWIOVBMMJASI-UHFFFAOYSA-N 0 3 308.382 2.342 20 5 DEBDHN CCCN1CC[C@@H](Nc2nccc(C(=O)OCC)c2[N+](=O)[O-])C1 ZINC000596516894 358704259 /nfs/dbraw/zinc/70/42/59/358704259.db2.gz JASGHQBGJIELQG-LLVKDONJSA-N 0 3 322.365 2.063 20 5 DEBDHN O=c1[n-]ccc(NC[C@@H]2CCC[N@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000596570027 358716968 /nfs/dbraw/zinc/71/69/68/358716968.db2.gz HDKOZFDPUVSFJV-LBPRGKRZSA-N 0 3 306.366 2.229 20 5 DEBDHN O=c1[n-]ccc(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000596570027 358716974 /nfs/dbraw/zinc/71/69/74/358716974.db2.gz HDKOZFDPUVSFJV-LBPRGKRZSA-N 0 3 306.366 2.229 20 5 DEBDHN COc1ccc(C(=O)N[C@@H]2CCN(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000597922531 359041548 /nfs/dbraw/zinc/04/15/48/359041548.db2.gz FQVQRYIYMBWWNF-GFCCVEGCSA-N 0 3 321.377 2.206 20 5 DEBDHN CCCN1CC[C@@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000598343118 359169939 /nfs/dbraw/zinc/16/99/39/359169939.db2.gz RDBNFTFDNJWLJV-GFCCVEGCSA-N 0 3 323.418 2.287 20 5 DEBDHN C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)CN1 ZINC000598916292 359356573 /nfs/dbraw/zinc/35/65/73/359356573.db2.gz WXJFVXZTXHPGFE-BDAKNGLRSA-N 0 3 312.757 2.462 20 5 DEBDHN CC(C)N1CCN([C@H]2CCN(c3ccsc3[N+](=O)[O-])C2)CC1 ZINC000601130072 359933163 /nfs/dbraw/zinc/93/31/63/359933163.db2.gz OWYWTTAIKNOZIU-ZDUSSCGKSA-N 0 3 324.450 2.261 20 5 DEBDHN CCC[C@@H](CCO)NCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000601139881 359937124 /nfs/dbraw/zinc/93/71/24/359937124.db2.gz MYICUXQQZHXPIP-LBPRGKRZSA-N 0 3 312.366 2.253 20 5 DEBDHN CN(C)C1(CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCC1 ZINC000438514305 237868751 /nfs/dbraw/zinc/86/87/51/237868751.db2.gz FKBFEPDYDOAPFI-UHFFFAOYSA-N 0 3 316.361 2.290 20 5 DEBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000602292065 360331918 /nfs/dbraw/zinc/33/19/18/360331918.db2.gz LLKGRTBYLFRELS-WCQYABFASA-N 0 3 321.352 2.290 20 5 DEBDHN CNC(=O)[C@@]1(C)CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000281202644 216149524 /nfs/dbraw/zinc/14/95/24/216149524.db2.gz SXPGZSLSJFRDRY-YERXGYGTSA-N 0 3 303.362 2.066 20 5 DEBDHN CC[C@@H](NCCc1ccc([N+](=O)[O-])cc1)[C@@H](O)C(F)(F)F ZINC000602582848 360444378 /nfs/dbraw/zinc/44/43/78/360444378.db2.gz YBRJUDFITNIVOB-VXGBXAGGSA-N 0 3 306.284 2.429 20 5 DEBDHN C[C@H](CO)CNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602521496 360416169 /nfs/dbraw/zinc/41/61/69/360416169.db2.gz OYTHXNHTNZGEQE-LURJTMIESA-N 0 3 309.185 2.137 20 5 DEBDHN C[C@H](Cc1cnn(C)c1)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602684775 360496755 /nfs/dbraw/zinc/49/67/55/360496755.db2.gz UKVDKDFTPVGRIU-SNVBAGLBSA-N 0 3 315.333 2.190 20 5 DEBDHN CCN(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@H]1CCOC1 ZINC000611256714 361563399 /nfs/dbraw/zinc/56/33/99/361563399.db2.gz RURRKVAFTWNEEC-GFCCVEGCSA-N 0 3 322.361 2.224 20 5 DEBDHN Cc1cc(N2CCN(CC(C)(C)O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000275400550 212309783 /nfs/dbraw/zinc/30/97/83/212309783.db2.gz BJQXKCUYIBGVEG-ZDUSSCGKSA-N 0 3 307.394 2.185 20 5 DEBDHN CC[C@H](C)NC(=O)[C@H](C)N[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449217597 240215832 /nfs/dbraw/zinc/21/58/32/240215832.db2.gz AICQLLACOIIKAO-AVGNSLFASA-N 0 3 307.394 2.419 20 5 DEBDHN CCN(C)CCNc1c(Br)cncc1[N+](=O)[O-] ZINC000091461713 193059851 /nfs/dbraw/zinc/05/98/51/193059851.db2.gz YXGOLKSEODULBM-UHFFFAOYSA-N 0 3 303.160 2.116 20 5 DEBDHN CCOC[C@H](O)CN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543494 243091414 /nfs/dbraw/zinc/09/14/14/243091414.db2.gz CBJYYGNAUFFWFN-GDBMZVCRSA-N 0 3 308.378 2.172 20 5 DEBDHN CN1CC[C@@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000264653290 204054512 /nfs/dbraw/zinc/05/45/12/204054512.db2.gz HDBVVKDWXNUCDG-JTQLQIEISA-N 0 3 303.318 2.023 20 5 DEBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)N(C)Cc1ccccc1 ZINC000264755992 204131197 /nfs/dbraw/zinc/13/11/97/204131197.db2.gz MACKFHANKQBEON-GFCCVEGCSA-N 0 3 316.361 2.173 20 5 DEBDHN COc1ccc(CNC[C@@H](O)c2ccc(C)o2)cc1[N+](=O)[O-] ZINC000265958942 204999586 /nfs/dbraw/zinc/99/95/86/204999586.db2.gz IPTROGWJODHPDS-CYBMUJFWSA-N 0 3 306.318 2.328 20 5 DEBDHN CN(C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(C)C1 ZINC000265971428 205008321 /nfs/dbraw/zinc/00/83/21/205008321.db2.gz KXDANOVBIVRYSR-OAHLLOKOSA-N 0 3 319.405 2.425 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCCN(C(C)C)CC2)c1 ZINC000266059950 205065399 /nfs/dbraw/zinc/06/53/99/205065399.db2.gz CAKDYDUHGVKGMT-UHFFFAOYSA-N 0 3 305.378 2.460 20 5 DEBDHN COc1c(C(=O)N2CCCC[C@@H]2CN(C)C)cccc1[N+](=O)[O-] ZINC000530281549 284394877 /nfs/dbraw/zinc/39/48/77/284394877.db2.gz UFJKHAUWFRWGTF-GFCCVEGCSA-N 0 3 321.377 2.160 20 5 DEBDHN CCN1CCC(NC(=O)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000159913025 197372723 /nfs/dbraw/zinc/37/27/23/197372723.db2.gz BHZIYLZDSMROKL-UHFFFAOYSA-N 0 3 305.378 2.046 20 5 DEBDHN C[C@H](NC(=O)N[C@@H]1CCCN(C)[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000454774811 246140885 /nfs/dbraw/zinc/14/08/85/246140885.db2.gz FECKVBRVLLSDSS-SLEUVZQESA-N 0 3 320.393 2.438 20 5 DEBDHN C[C@@H](NC(=O)/C=C\c1ccccc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000492449515 249067479 /nfs/dbraw/zinc/06/74/79/249067479.db2.gz OTDKGPIRIMVMGB-MEJMFZKBSA-N 0 3 315.373 2.375 20 5 DEBDHN CN(C[C@H]1CCCN1C)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000493089180 249218358 /nfs/dbraw/zinc/21/83/58/249218358.db2.gz VYKBPNKLUKOKCN-ATWMFIQVSA-N 0 3 303.362 2.161 20 5 DEBDHN CC(C)[C@H]1CN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CCN1C ZINC000493565976 249326057 /nfs/dbraw/zinc/32/60/57/249326057.db2.gz YQJNVCROBKWWCL-XITLMJRVSA-N 0 3 317.389 2.407 20 5 DEBDHN COc1cc(C(=O)N2CCCC[C@H]2CN(C)C)ccc1[N+](=O)[O-] ZINC000104413589 194005900 /nfs/dbraw/zinc/00/59/00/194005900.db2.gz PJNAVRCKOLCDCX-ZDUSSCGKSA-N 0 3 321.377 2.160 20 5 DEBDHN O=C1C[C@@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CN1C1CC1 ZINC000193013442 284834443 /nfs/dbraw/zinc/83/44/43/284834443.db2.gz AGGZCCHAVRXDOG-MLGOLLRUSA-N 0 3 315.373 2.325 20 5 DEBDHN CCOc1ccc(C(=O)NC[C@@H](C)N(C)C2CC2)cc1[N+](=O)[O-] ZINC000057720093 184049766 /nfs/dbraw/zinc/04/97/66/184049766.db2.gz FJPKDUOSLRHKLV-LLVKDONJSA-N 0 3 321.377 2.206 20 5 DEBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@@H]2Cc2ccccc2)n1 ZINC000176202318 285168011 /nfs/dbraw/zinc/16/80/11/285168011.db2.gz CYYWBCXPBSOGQQ-OAHLLOKOSA-N 0 3 300.362 2.498 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(C(=O)N(CCN(C)C)C(C)C)c1 ZINC000156760171 197138336 /nfs/dbraw/zinc/13/83/36/197138336.db2.gz PAILSIDHXIMWIC-UHFFFAOYSA-N 0 3 309.366 2.016 20 5 DEBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000120726933 195225659 /nfs/dbraw/zinc/22/56/59/195225659.db2.gz CSURDDIFFYMOMD-QTPKMNKOSA-N 0 3 317.389 2.407 20 5 DEBDHN O=[N+]([O-])c1ccccc1/C=C/CNC[C@H]1CCCS(=O)(=O)C1 ZINC000289951209 221337148 /nfs/dbraw/zinc/33/71/48/221337148.db2.gz BWWFUYPLRZQQPW-LPZVBRGNSA-N 0 3 324.402 2.022 20 5 DEBDHN C[C@H](CO[C@H]1CCOC1)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294946568 224331308 /nfs/dbraw/zinc/33/13/08/224331308.db2.gz YFMZFKYZKDPRGI-MDZLAQPJSA-N 0 3 309.366 2.022 20 5 DEBDHN COC[C@H](N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000284849134 285407393 /nfs/dbraw/zinc/40/73/93/285407393.db2.gz ABZDSIZUSAGERH-VZJVUDMVSA-N 0 3 309.366 2.022 20 5 DEBDHN CCOc1ccc([C@H](C)NC[C@H](O)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000358060876 133118343 /nfs/dbraw/zinc/11/83/43/133118343.db2.gz LKMWXRDTOSKGGZ-WHOFXGATSA-N 0 3 324.377 2.042 20 5 DEBDHN C[C@H](NC[C@@H]1CN(C2CC2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000358183247 133126620 /nfs/dbraw/zinc/12/66/20/133126620.db2.gz UVZAJUFTCQGDOX-BLLLJJGKSA-N 0 3 305.378 2.109 20 5 DEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC3(C2)CCCC3)c1 ZINC000372492763 133355982 /nfs/dbraw/zinc/35/59/82/133355982.db2.gz FXHTUIAZAJBTPJ-AWEZNQCLSA-N 0 3 306.362 2.211 20 5 DEBDHN CC(=O)NC1CCC(NCc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000342272284 404479620 /nfs/dbraw/zinc/47/96/20/404479620.db2.gz DQNJUYLNWXDSJW-UHFFFAOYSA-N 0 3 309.341 2.271 20 5 DEBDHN C[C@@H](C(=O)N1CCC[C@H]2CN(C)C[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000564871951 292116885 /nfs/dbraw/zinc/11/68/85/292116885.db2.gz RSFSFQXLDYMFJU-IVMMDQJWSA-N 0 3 317.389 2.251 20 5 DEBDHN Cc1ccc([C@H](C)NCCN2CCOC[C@H]2C)cc1[N+](=O)[O-] ZINC000246825900 145115573 /nfs/dbraw/zinc/11/55/73/145115573.db2.gz AFQHGKTWZJDCJS-KGLIPLIRSA-N 0 3 307.394 2.275 20 5 DEBDHN O=[N+]([O-])c1ccc(CN2CCNC[C@H]2c2ccncc2)c(F)c1 ZINC000261981825 145249688 /nfs/dbraw/zinc/24/96/88/145249688.db2.gz JGXXPBCKZMETHU-INIZCTEOSA-N 0 3 316.336 2.275 20 5 DEBDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)c2csc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000346165073 146029137 /nfs/dbraw/zinc/02/91/37/146029137.db2.gz DRTMVBCWGGBYPS-LOWVWBTDSA-N 0 3 323.418 2.459 20 5 DEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCCN([C@@H](C)CO)CC1 ZINC000346694162 146125891 /nfs/dbraw/zinc/12/58/91/146125891.db2.gz SHJTYPBXMGEFTN-UONOGXRCSA-N 0 3 307.394 2.044 20 5 DEBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000356421857 146907776 /nfs/dbraw/zinc/90/77/76/146907776.db2.gz JHORLTKPIDDHJJ-YGRLFVJLSA-N 0 3 309.341 2.146 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)[C@@H]1CCCOC1 ZINC000348140942 146223178 /nfs/dbraw/zinc/22/31/78/146223178.db2.gz CNEYZYMKMPOSGW-CHWSQXEVSA-N 0 3 321.377 2.246 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](C)[C@H]1CCCOC1 ZINC000348148598 146224279 /nfs/dbraw/zinc/22/42/79/146224279.db2.gz SRFYJSQSCWBVCK-OLZOCXBDSA-N 0 3 321.377 2.246 20 5 DEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CC[C@H]2C2CC2)cc1 ZINC000348429195 146271264 /nfs/dbraw/zinc/27/12/64/146271264.db2.gz XYKBYIXSWYUQFE-GJZGRUSLSA-N 0 3 324.402 2.147 20 5 DEBDHN CCCN1CCC[C@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000349119455 146352374 /nfs/dbraw/zinc/35/23/74/146352374.db2.gz PWYUWABTKGVWOA-HNNXBMFYSA-N 0 3 305.378 2.128 20 5 DEBDHN CCOc1ccc([C@H](C)NC[C@H]2COCCO2)cc1[N+](=O)[O-] ZINC000349245208 146361833 /nfs/dbraw/zinc/36/18/33/146361833.db2.gz HCHZQURGDNTFHJ-AAEUAGOBSA-N 0 3 310.350 2.060 20 5 DEBDHN C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1F)C1=CCN(C)CC1 ZINC000358370649 147121696 /nfs/dbraw/zinc/12/16/96/147121696.db2.gz DIGWAISKMJIPQI-LLVKDONJSA-N 0 3 321.352 2.043 20 5 DEBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@H](C3CCOCC3)C2)c1 ZINC000374364163 148236027 /nfs/dbraw/zinc/23/60/27/148236027.db2.gz FSFWEYBEZDAMMB-RDJZCZTQSA-N 0 3 320.389 2.377 20 5 DEBDHN CN(C[C@H]1CCCN(C)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000115636445 401834383 /nfs/dbraw/zinc/83/43/83/401834383.db2.gz INBLDQVRCXTDMB-LBPRGKRZSA-N 0 3 306.366 2.400 20 5 DEBDHN CCN1CCC[C@@H]1CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087006543 401925599 /nfs/dbraw/zinc/92/55/99/401925599.db2.gz ZWNPUCVUFAVOON-OAHLLOKOSA-N 0 3 305.378 2.128 20 5 DEBDHN CCN(CC)CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000135184975 401929274 /nfs/dbraw/zinc/92/92/74/401929274.db2.gz RGOUKXVCUQURAJ-UHFFFAOYSA-N 0 3 305.378 2.428 20 5 DEBDHN C[C@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)N(C)C1CC1 ZINC000087277204 401930048 /nfs/dbraw/zinc/93/00/48/401930048.db2.gz LUFVMAXLPLXLFD-GFCCVEGCSA-N 0 3 305.378 2.126 20 5 DEBDHN CCN(C)CCNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000119777114 401966076 /nfs/dbraw/zinc/96/60/76/401966076.db2.gz GHGWCPMKNWHIHT-UHFFFAOYSA-N 0 3 322.409 2.168 20 5 DEBDHN COC[C@H](N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000136639182 401970496 /nfs/dbraw/zinc/97/04/96/401970496.db2.gz OBAHDXHFNDCUEO-RISCZKNCSA-N 0 3 321.377 2.245 20 5 DEBDHN CN(CCNc1c(Br)cncc1[N+](=O)[O-])C1CC1 ZINC000091459887 401996481 /nfs/dbraw/zinc/99/64/81/401996481.db2.gz CFBDIGGWVAFKPN-UHFFFAOYSA-N 0 3 315.171 2.258 20 5 DEBDHN COC(=O)[C@]1(C)CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000093813533 402021124 /nfs/dbraw/zinc/02/11/24/402021124.db2.gz NCBGOOJIPTTWLU-BIENSFFJSA-N 0 3 304.346 2.493 20 5 DEBDHN Cc1cc(C(=O)NCCN2CCC(C)CC2)cc([N+](=O)[O-])c1 ZINC000122478239 402080382 /nfs/dbraw/zinc/08/03/82/402080382.db2.gz RQUAXVNXJVPJIU-UHFFFAOYSA-N 0 3 305.378 2.365 20 5 DEBDHN CSC[C@](C)(O)CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000152294928 402087497 /nfs/dbraw/zinc/08/74/97/402087497.db2.gz RXGLTYANXHQTBY-GFCCVEGCSA-N 0 3 304.799 2.452 20 5 DEBDHN COCCN1CCC(Nc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153623173 402157528 /nfs/dbraw/zinc/15/75/28/402157528.db2.gz ZVIVHENDYOOODM-UHFFFAOYSA-N 0 3 314.773 2.166 20 5 DEBDHN CC(C)CN1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000067386578 402158417 /nfs/dbraw/zinc/15/84/17/402158417.db2.gz YTPNCGNAGUXKET-UHFFFAOYSA-N 0 3 307.394 2.247 20 5 DEBDHN COc1ccc(C(=O)N(C)CC2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000103453680 402189055 /nfs/dbraw/zinc/18/90/55/402189055.db2.gz VMFMCLGMBPSUPL-UHFFFAOYSA-N 0 3 321.377 2.017 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(C(=O)NCCN2CCCCCC2)c1 ZINC000067547527 402162562 /nfs/dbraw/zinc/16/25/62/402162562.db2.gz NWXVRFSCCYVHPU-UHFFFAOYSA-N 0 3 321.377 2.209 20 5 DEBDHN COCCCN(C)CCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000153838589 402173755 /nfs/dbraw/zinc/17/37/55/402173755.db2.gz GHTJQCSBSLCLMB-UHFFFAOYSA-N 0 3 302.762 2.023 20 5 DEBDHN CN1CC[C@@H](CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000234374718 402359731 /nfs/dbraw/zinc/35/97/31/402359731.db2.gz XOFBHXIEPYCAII-QMMMGPOBSA-N 0 3 304.272 2.372 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000177155931 402376657 /nfs/dbraw/zinc/37/66/57/402376657.db2.gz WAVLJMAYGKQXFR-RYUDHWBXSA-N 0 3 303.362 2.258 20 5 DEBDHN C[C@@H](C(=O)N(C)CCN(C)C1CC1)c1ccc([N+](=O)[O-])cc1F ZINC000186771877 402463604 /nfs/dbraw/zinc/46/36/04/402463604.db2.gz OJKWKZBBYULBLY-LLVKDONJSA-N 0 3 323.368 2.390 20 5 DEBDHN C[C@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000245769952 402486995 /nfs/dbraw/zinc/48/69/95/402486995.db2.gz XBGVTAFRVJUZTD-VXGBXAGGSA-N 0 3 320.393 2.027 20 5 DEBDHN COC(=O)C[C@H]1CCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000179141760 402575792 /nfs/dbraw/zinc/57/57/92/402575792.db2.gz KCKWRURXXGNYLU-GFCCVEGCSA-N 0 3 308.334 2.001 20 5 DEBDHN Cc1c(NC(=O)[C@H](C)N(C)C[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000178769524 402537101 /nfs/dbraw/zinc/53/71/01/402537101.db2.gz RMVAAKGLWJYSFO-STQMWFEESA-N 0 3 321.377 2.199 20 5 DEBDHN COc1cc(CNC[C@](C)(O)C(C)C)c([N+](=O)[O-])cc1OC ZINC000171842861 402627584 /nfs/dbraw/zinc/62/75/84/402627584.db2.gz YMQCKFJVFDLZDK-HNNXBMFYSA-N 0 3 312.366 2.109 20 5 DEBDHN C[C@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000252210265 402652860 /nfs/dbraw/zinc/65/28/60/402652860.db2.gz WDQQSUWUAIXBOJ-NWDGAFQWSA-N 0 3 320.393 2.226 20 5 DEBDHN CCc1ccc(C(=O)NC[C@@H]2CCCN2CC)cc1[N+](=O)[O-] ZINC000174024591 402723881 /nfs/dbraw/zinc/72/38/81/402723881.db2.gz SNJQHBQDMITVAK-AWEZNQCLSA-N 0 3 305.378 2.371 20 5 DEBDHN NC(=O)c1ccc(CN2CCC[C@@H]2C2CCC2)c([N+](=O)[O-])c1 ZINC000264026116 402832084 /nfs/dbraw/zinc/83/20/84/402832084.db2.gz YITQFQFLFBWAIB-CQSZACIVSA-N 0 3 303.362 2.458 20 5 DEBDHN Cc1ccc([C@@H](C)NC(=O)NC[C@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000175998694 402847033 /nfs/dbraw/zinc/84/70/33/402847033.db2.gz WCEIUBJNLJDRFK-TZMCWYRMSA-N 0 3 320.393 2.358 20 5 DEBDHN CSc1ccc(C(=O)NCCN2CCCC2)cc1[N+](=O)[O-] ZINC000176007203 402847729 /nfs/dbraw/zinc/84/77/29/402847729.db2.gz ZTRDKGXXSSVXDC-UHFFFAOYSA-N 0 3 309.391 2.142 20 5 DEBDHN CCN(CCO)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000264236805 402861304 /nfs/dbraw/zinc/86/13/04/402861304.db2.gz ZYGQAIGEYLUVNO-UHFFFAOYSA-N 0 3 305.334 2.107 20 5 DEBDHN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N(C)CCN(C)C ZINC000279551702 402955064 /nfs/dbraw/zinc/95/50/64/402955064.db2.gz SRWQLNWBALNABM-UHFFFAOYSA-N 0 3 315.757 2.033 20 5 DEBDHN O=[N+]([O-])c1ccc(OCCN[C@H](CO)c2ccc(F)cc2)cc1 ZINC000272970097 402961917 /nfs/dbraw/zinc/96/19/17/402961917.db2.gz BVMCXZOVNKMJQN-MRXNPFEDSA-N 0 3 320.320 2.436 20 5 DEBDHN Cc1ccc([C@@H](CNc2ncc([N+](=O)[O-])cn2)N(C)C)cc1 ZINC000273619128 403020523 /nfs/dbraw/zinc/02/05/23/403020523.db2.gz OBDMDZMFEOGPSI-CQSZACIVSA-N 0 3 301.350 2.408 20 5 DEBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000268260316 403067860 /nfs/dbraw/zinc/06/78/60/403067860.db2.gz ZARRTAKWXMPOPM-TVQRCGJNSA-N 0 3 323.780 2.461 20 5 DEBDHN COc1cc(CN[C@@H](CCO)C(C)C)c([N+](=O)[O-])cc1F ZINC000274604938 403071064 /nfs/dbraw/zinc/07/10/64/403071064.db2.gz MFJQSULHUZAMMO-LBPRGKRZSA-N 0 3 300.330 2.239 20 5 DEBDHN CCN(CC)C(=O)C[C@H](C)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000268828698 403118374 /nfs/dbraw/zinc/11/83/74/403118374.db2.gz NYCYWBYOOOORDR-LBPRGKRZSA-N 0 3 323.393 2.340 20 5 DEBDHN COC(=O)c1cc(CN(C)CCc2cccc([N+](=O)[O-])c2)c[nH]1 ZINC000283024844 403165317 /nfs/dbraw/zinc/16/53/17/403165317.db2.gz MOWXHROKQJJSSL-UHFFFAOYSA-N 0 3 317.345 2.384 20 5 DEBDHN CCN(CCc1cccs1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000270552070 403200063 /nfs/dbraw/zinc/20/00/63/403200063.db2.gz HGONMWJPHDPULA-UHFFFAOYSA-N 0 3 321.402 2.383 20 5 DEBDHN C[C@@H]1CN(CCCCNc2ccc(N)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000283950859 403234444 /nfs/dbraw/zinc/23/44/44/403234444.db2.gz YJKUYDLRERIJEF-CHWSQXEVSA-N 0 3 322.409 2.478 20 5 DEBDHN C[C@H]1CN(CCNC(C)(C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000292119629 403297901 /nfs/dbraw/zinc/29/79/01/403297901.db2.gz KCRKPFXWOYZXMD-ZDUSSCGKSA-N 0 3 307.394 2.140 20 5 DEBDHN COc1c(C(=O)N(C)CC2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000331082911 403324685 /nfs/dbraw/zinc/32/46/85/403324685.db2.gz ZUZUSYWSNNZUIZ-UHFFFAOYSA-N 0 3 321.377 2.017 20 5 DEBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCN(C2CC2)C1 ZINC000331444851 403386089 /nfs/dbraw/zinc/38/60/89/403386089.db2.gz YEECCSKJRJMUFB-LLVKDONJSA-N 0 3 323.780 2.144 20 5 DEBDHN O=[N+]([O-])c1cccc(CN[C@H](C2CC2)[C@]2(CO)CCCO2)c1 ZINC000339770662 403444506 /nfs/dbraw/zinc/44/45/06/403444506.db2.gz XJRLNMYUOLCNIS-HZPDHXFCSA-N 0 3 306.362 2.005 20 5 DEBDHN O=[N+]([O-])c1cnc2c(c1)CN(CCCO[C@H]1CCCCO1)CC2 ZINC000332029526 403466069 /nfs/dbraw/zinc/46/60/69/403466069.db2.gz NTPNWZHJBXHDGE-INIZCTEOSA-N 0 3 321.377 2.281 20 5 DEBDHN CCNc1ccc(C(=O)N[C@@H]2CCCN(C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000343424036 403583540 /nfs/dbraw/zinc/58/35/40/403583540.db2.gz CDUNEPFLBDMXIT-DGCLKSJQSA-N 0 3 320.393 2.239 20 5 DEBDHN CN(CCCNC(=O)c1ccc([N+](=O)[O-])[nH]1)Cc1ccccc1 ZINC000340468821 403621792 /nfs/dbraw/zinc/62/17/92/403621792.db2.gz UKQPARDDNGOZLA-UHFFFAOYSA-N 0 3 316.361 2.175 20 5 DEBDHN C[NH+](C)CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]2)cc1 ZINC000343544979 403630495 /nfs/dbraw/zinc/63/04/95/403630495.db2.gz KFVNDIOJLQHOKR-UHFFFAOYSA-N 0 3 318.333 2.116 20 5 DEBDHN CN(C)CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1 ZINC000343544979 403630499 /nfs/dbraw/zinc/63/04/99/403630499.db2.gz KFVNDIOJLQHOKR-UHFFFAOYSA-N 0 3 318.333 2.116 20 5 DEBDHN CCCN1CCC[C@@H]1CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000343560522 403638392 /nfs/dbraw/zinc/63/83/92/403638392.db2.gz DOYXNJKUOIIDPK-GFCCVEGCSA-N 0 3 309.341 2.338 20 5 DEBDHN CCN1CCN([C@@H](C)CNc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000301521137 403641484 /nfs/dbraw/zinc/64/14/84/403641484.db2.gz LLVUGKLGBDCQRJ-LBPRGKRZSA-N 0 3 310.373 2.172 20 5 DEBDHN CCCN1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000343583906 403650529 /nfs/dbraw/zinc/65/05/29/403650529.db2.gz ZEUUOPGFKLMMLZ-LBPRGKRZSA-N 0 3 309.341 2.338 20 5 DEBDHN CC(C)NC(=O)c1ccc(N[C@H](C)CN(C)C)c([N+](=O)[O-])c1 ZINC000343794141 403736763 /nfs/dbraw/zinc/73/67/63/403736763.db2.gz OTXAEMHMZLBBFB-LLVKDONJSA-N 0 3 308.382 2.095 20 5 DEBDHN C[C@H]1[C@@H](Nc2ncnc3cccc([N+](=O)[O-])c32)CCCN1C ZINC000347881912 403928199 /nfs/dbraw/zinc/92/81/99/403928199.db2.gz PARZPDVQPDOEOK-QWRGUYRKSA-N 0 3 301.350 2.433 20 5 DEBDHN Cn1ncc2c1CCCN(CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000411839538 403987315 /nfs/dbraw/zinc/98/73/15/403987315.db2.gz DGOMILXIAOKJFM-UHFFFAOYSA-N 0 3 300.362 2.319 20 5 DEBDHN CC(C)N1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000347978868 403990712 /nfs/dbraw/zinc/99/07/12/403990712.db2.gz LRWVULGSDZRNON-LLVKDONJSA-N 0 3 309.341 2.337 20 5 DEBDHN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@@H](N2CCCCC2)C1 ZINC000344239747 404002430 /nfs/dbraw/zinc/00/24/30/404002430.db2.gz NXKUHEOKECGWAG-CQSZACIVSA-N 0 3 321.352 2.434 20 5 DEBDHN COC(=O)c1cc(CNCCc2ccccc2[N+](=O)[O-])cn1C ZINC000348090117 404038378 /nfs/dbraw/zinc/03/83/78/404038378.db2.gz WIHPVBJUIBAUSA-UHFFFAOYSA-N 0 3 317.345 2.052 20 5 DEBDHN CO[C@@](C)([C@H](C)NCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000411977607 404041161 /nfs/dbraw/zinc/04/11/61/404041161.db2.gz YEFKDUSAGUAJCL-ZBEGNZNMSA-N 0 3 321.377 2.327 20 5 DEBDHN COC(=O)[C@@]1(C)CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000337471451 404047829 /nfs/dbraw/zinc/04/78/29/404047829.db2.gz WDEGBWFUWUQQEL-WBMJQRKESA-N 0 3 322.361 2.105 20 5 DEBDHN CC[C@@H](NCC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000348343449 404061153 /nfs/dbraw/zinc/06/11/53/404061153.db2.gz HKVOQVDKVDABSG-OCCSQVGLSA-N 0 3 321.377 2.389 20 5 DEBDHN COC1([C@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCC1 ZINC000412021805 404061879 /nfs/dbraw/zinc/06/18/79/404061879.db2.gz NNQPKFAASDQWSA-LBPRGKRZSA-N 0 3 321.377 2.389 20 5 DEBDHN C[C@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCOCC1 ZINC000355110497 404223159 /nfs/dbraw/zinc/22/31/59/404223159.db2.gz BPGYRIQJHPODPU-JTQLQIEISA-N 0 3 304.350 2.376 20 5 DEBDHN Cc1c(CNCCC(=O)Nc2cccnc2)cccc1[N+](=O)[O-] ZINC000567378681 292309909 /nfs/dbraw/zinc/30/99/09/292309909.db2.gz MLDBAHNZBVTFRI-UHFFFAOYSA-N 0 3 314.345 2.417 20 5 DEBDHN C[C@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCN(C2CC2)C1 ZINC000296833608 404332978 /nfs/dbraw/zinc/33/29/78/404332978.db2.gz WRCREDUISHGUHQ-SUMWQHHRSA-N 0 3 319.405 2.044 20 5 DEBDHN Cc1cccc(C(=O)N2CC[C@]3(C2)CCCN(C)C3)c1[N+](=O)[O-] ZINC000356284607 404424771 /nfs/dbraw/zinc/42/47/71/404424771.db2.gz PQNHREBLAGYPDO-QGZVFWFLSA-N 0 3 317.389 2.461 20 5 DEBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@@H]2COCCO2)o1 ZINC000338716229 404495150 /nfs/dbraw/zinc/49/51/50/404495150.db2.gz OKQWBLRATXYMKK-CYBMUJFWSA-N 0 3 318.329 2.360 20 5 DEBDHN C[C@H]1CCC[C@H](C)N1CCNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000342222283 404451820 /nfs/dbraw/zinc/45/18/20/404451820.db2.gz LCMKKJYHIRURMO-RYUDHWBXSA-N 0 3 320.393 2.369 20 5 DEBDHN COCC[C@@H](C)CNCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000414488828 404651999 /nfs/dbraw/zinc/65/19/99/404651999.db2.gz XJIILMWWWDUGMM-LLVKDONJSA-N 0 3 312.366 2.374 20 5 DEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[C@H](C(=O)N(C)C)C1 ZINC000414498588 404658850 /nfs/dbraw/zinc/65/88/50/404658850.db2.gz NCHKXAAHUZERMW-CTXBLAANSA-N 0 3 317.389 2.408 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H]1CSC[C@H]1C ZINC000352790229 404622803 /nfs/dbraw/zinc/62/28/03/404622803.db2.gz DWTFHQTWQPNDBQ-ZWNOBZJWSA-N 0 3 309.391 2.183 20 5 DEBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000342619652 404680751 /nfs/dbraw/zinc/68/07/51/404680751.db2.gz NKJRAOAOZQHSPK-GFCCVEGCSA-N 0 3 316.361 2.173 20 5 DEBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000330572824 404691351 /nfs/dbraw/zinc/69/13/51/404691351.db2.gz ZAFCLJCYLVPYRB-CYBMUJFWSA-N 0 3 319.405 2.326 20 5 DEBDHN CN(CCCN(C)C(=O)c1cc([N+](=O)[O-])c[nH]1)Cc1ccco1 ZINC000353298760 404795138 /nfs/dbraw/zinc/79/51/38/404795138.db2.gz FMFXXBMECHFSRV-UHFFFAOYSA-N 0 3 320.349 2.110 20 5 DEBDHN CCn1c(C)nc([N+](=O)[O-])c1N(C)[C@H]1CCN(CC)[C@H](C)C1 ZINC000360996688 404872939 /nfs/dbraw/zinc/87/29/39/404872939.db2.gz STHQPJJCONWWRA-YPMHNXCESA-N 0 3 309.414 2.429 20 5 DEBDHN COCC1(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCC1 ZINC000361316165 405018766 /nfs/dbraw/zinc/01/87/66/405018766.db2.gz VEEDFMNQDJKKNB-ZDUSSCGKSA-N 0 3 320.393 2.293 20 5 DEBDHN C[C@H](NC(=O)N1C[C@@H](C)NC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000417128061 405043593 /nfs/dbraw/zinc/04/35/93/405043593.db2.gz HQQGRXMVBODXEQ-UTUOFQBUSA-N 0 3 306.366 2.048 20 5 DEBDHN COc1ccc(CN2CC[C@H]([C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000354101820 405045433 /nfs/dbraw/zinc/04/54/33/405045433.db2.gz WPTRMDSCFRGAGD-UONOGXRCSA-N 0 3 306.362 2.462 20 5 DEBDHN COCCCCN(C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000419395628 405248032 /nfs/dbraw/zinc/24/80/32/405248032.db2.gz YFMMAPZMEGQDAZ-OAHLLOKOSA-N 0 3 321.377 2.059 20 5 DEBDHN CCC[C@@H]1CNCCN1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420244049 405299697 /nfs/dbraw/zinc/29/96/97/405299697.db2.gz YGEPSTZWDRHLPD-CYBMUJFWSA-N 0 3 317.349 2.223 20 5 DEBDHN Cc1c(CC(=O)N(C)[C@@H]2CCN(C(C)C)C2)cccc1[N+](=O)[O-] ZINC000457087415 405689711 /nfs/dbraw/zinc/68/97/11/405689711.db2.gz JKHWMLHJNKBNJW-OAHLLOKOSA-N 0 3 319.405 2.387 20 5 DEBDHN COc1cc(C[NH2+]CCC[C@@H]2CCOC2)c([N+](=O)[O-])cc1[O-] ZINC000449684981 405691953 /nfs/dbraw/zinc/69/19/53/405691953.db2.gz QRTMEZYTGBWZAB-LLVKDONJSA-N 0 3 310.350 2.215 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000457097179 405697771 /nfs/dbraw/zinc/69/77/71/405697771.db2.gz RPQIGYPPJHFUQV-ZDUSSCGKSA-N 0 3 321.377 2.158 20 5 DEBDHN Cc1cnc(NCCCN2CCCO[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000432859582 405823969 /nfs/dbraw/zinc/82/39/69/405823969.db2.gz OHAHMVFFMGBOOM-ZDUSSCGKSA-N 0 3 308.382 2.211 20 5 DEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@H]1CCCC(=O)N1 ZINC000433172989 405887589 /nfs/dbraw/zinc/88/75/89/405887589.db2.gz HBZDLTRXTYLMFX-CEFACKQISA-N 0 3 303.362 2.256 20 5 DEBDHN COC(=O)Cc1ccc(N[C@H]2CCCN(C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000450432621 405894532 /nfs/dbraw/zinc/89/45/32/405894532.db2.gz BCEDJKCHRTZMPE-YPMHNXCESA-N 0 3 321.377 2.205 20 5 DEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCc1cccc(F)c1 ZINC000568132091 406195701 /nfs/dbraw/zinc/19/57/01/406195701.db2.gz KVGQOLFEQBMYME-CQSZACIVSA-N 0 3 320.320 2.263 20 5 DEBDHN C[C@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCCC1 ZINC000534247672 406173137 /nfs/dbraw/zinc/17/31/37/406173137.db2.gz BCKNTKHTNFBMPF-LLVKDONJSA-N 0 3 316.361 2.290 20 5 DEBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000488762050 406345758 /nfs/dbraw/zinc/34/57/58/406345758.db2.gz ONPULYPXVSWBQH-OUCADQQQSA-N 0 3 321.425 2.286 20 5 DEBDHN Cc1cc(NCCCCN2CCN(C)CC2)c(F)cc1[N+](=O)[O-] ZINC000571491863 406526077 /nfs/dbraw/zinc/52/60/77/406526077.db2.gz WXRHZCUSJUMNPW-UHFFFAOYSA-N 0 3 324.400 2.482 20 5 DEBDHN CCCCN(C)CCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000491845784 406745400 /nfs/dbraw/zinc/74/54/00/406745400.db2.gz NBLOYNRGVOAMFR-YFHOEESVSA-N 0 3 305.378 2.456 20 5 DEBDHN CN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)[C@@H]1CN2CCC1CC2 ZINC000491794010 406723386 /nfs/dbraw/zinc/72/33/86/406723386.db2.gz IZCTYCYQWVHMOF-HQQUCIOCSA-N 0 3 315.373 2.161 20 5 DEBDHN CCN1CCCC[C@H]1CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000134326357 196378978 /nfs/dbraw/zinc/37/89/78/196378978.db2.gz YNODJWJCHKYYGK-LBPRGKRZSA-N 0 3 309.341 2.338 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC1=CCN(C)CC1 ZINC000421796727 230000557 /nfs/dbraw/zinc/00/05/57/230000557.db2.gz PXLYPUZUEBHBCI-UHFFFAOYSA-N 0 3 303.362 2.203 20 5 DEBDHN CN(C)[C@@H](CNc1ncc([N+](=O)[O-])s1)Cc1ccccc1 ZINC000443409240 425045226 /nfs/dbraw/zinc/04/52/26/425045226.db2.gz KBRSHKZEUOUUGO-GFCCVEGCSA-N 0 3 306.391 2.636 20 5 DEBDHN C[C@@H](O)[C@@H]1C[C@H](C)CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000443345548 269136809 /nfs/dbraw/zinc/13/68/09/269136809.db2.gz SENWJPGSMKIXQW-IOASZLSFSA-N 0 3 308.378 2.455 20 5 DEBDHN CC1(C)C[C@H](NC[C@@H](O)[C@H]2CCOC2)c2cc([N+](=O)[O-])ccc21 ZINC000433282597 273589154 /nfs/dbraw/zinc/58/91/54/273589154.db2.gz MWGQOSRYTSYKBZ-KNXALSJPSA-N 0 3 320.389 2.304 20 5 DEBDHN CNc1c(C(=O)N(C)C[C@H]2CCCN(C)C2)cccc1[N+](=O)[O-] ZINC000361197763 277042481 /nfs/dbraw/zinc/04/24/81/277042481.db2.gz AKVLXAVHJNECJC-LBPRGKRZSA-N 0 3 320.393 2.050 20 5 DEBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000248404301 278257643 /nfs/dbraw/zinc/25/76/43/278257643.db2.gz PYJLVWFERBPLAJ-NEPJUHHUSA-N 0 3 321.381 2.232 20 5 DEBDHN C[C@@H](NC[C@H]1CN(C2CC2)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000358173072 278355375 /nfs/dbraw/zinc/35/53/75/278355375.db2.gz IYJMEUHQSWTGCT-WBMJQRKESA-N 0 3 305.378 2.109 20 5 DEBDHN C[C@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)N(C)C1CC1 ZINC000057719786 279327643 /nfs/dbraw/zinc/32/76/43/279327643.db2.gz MRDWYBFDTZLOPY-LLVKDONJSA-N 0 3 323.418 2.286 20 5 DEBDHN C[C@H](NC1CC1)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000449163900 279452336 /nfs/dbraw/zinc/45/23/36/279452336.db2.gz NYPYLWYUXIHJGM-NSHDSACASA-N 0 3 303.362 2.226 20 5 DEBDHN Cc1c(NC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000361748519 280243647 /nfs/dbraw/zinc/24/36/47/280243647.db2.gz BNWFXUKOTHAJEZ-SWLSCSKDSA-N 0 3 318.377 2.461 20 5 DEBDHN C[C@@H](C(=O)N(C)CCN(C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000582938834 337219814 /nfs/dbraw/zinc/21/98/14/337219814.db2.gz VPWFIAYBTQGWGK-GFCCVEGCSA-N 0 3 305.378 2.251 20 5 DEBDHN Cc1ccccc1CNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000583046856 337229930 /nfs/dbraw/zinc/22/99/30/337229930.db2.gz LGAWPPYIGNGVQL-OAHLLOKOSA-N 0 3 316.357 2.433 20 5 DEBDHN COc1cc(CNCCC(C)(C)CO)c([N+](=O)[O-])cc1OC ZINC000294664391 533872073 /nfs/dbraw/zinc/87/20/73/533872073.db2.gz AJKXUPSGVDNQHD-UHFFFAOYSA-N 0 3 312.366 2.110 20 5 DEBDHN C[C@H](NC[C@H](O)COCC(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000293036606 533899405 /nfs/dbraw/zinc/89/94/05/533899405.db2.gz WSQPPYLZPIVLJL-UWVGGRQHSA-N 0 3 322.283 2.185 20 5 DEBDHN CC(=O)NCCCN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543795 534387146 /nfs/dbraw/zinc/38/71/46/534387146.db2.gz CUCJWEXMUIYVFB-OAHLLOKOSA-N 0 3 305.378 2.300 20 5 DEBDHN Cc1nc(N(CCN(C)C)Cc2cccs2)ncc1[N+](=O)[O-] ZINC000297452504 534440509 /nfs/dbraw/zinc/44/05/09/534440509.db2.gz JLFOQAXHNSLOSI-UHFFFAOYSA-N 0 3 321.406 2.323 20 5 DEBDHN CC[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2C)CCN1C[C@H](C)O ZINC000247566428 523455286 /nfs/dbraw/zinc/45/52/86/523455286.db2.gz GQDUJYKHDCNJIO-XJKSGUPXSA-N 0 3 321.421 2.180 20 5 DEBDHN C[C@@H]1C[C@@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2F)CCN1C ZINC000156321283 525243146 /nfs/dbraw/zinc/24/31/46/525243146.db2.gz WOPSVFUQXVBPLO-YPMHNXCESA-N 0 3 323.368 2.218 20 5 DEBDHN Cc1ccc([C@H](C)NC[C@H](C)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000127498900 525926372 /nfs/dbraw/zinc/92/63/72/525926372.db2.gz FSJWYXGRCPKNFP-GJZGRUSLSA-N 0 3 320.437 2.190 20 5 DEBDHN O=[N+]([O-])c1cccc(OCCN2CCN3CCCC[C@H]3C2)c1 ZINC000246200394 527390883 /nfs/dbraw/zinc/39/08/83/527390883.db2.gz NHLOGYXCCWMKMP-HNNXBMFYSA-N 0 3 305.378 2.144 20 5 DEBDHN CCCNC(=O)CCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192710770 528373523 /nfs/dbraw/zinc/37/35/23/528373523.db2.gz AMZAVOFVHMOOOC-HNNXBMFYSA-N 0 3 305.378 2.478 20 5 DEBDHN CCO[C@@H]1C[C@H](N[C@H](C)Cc2ccccc2[N+](=O)[O-])[C@@H]1OC ZINC000449245002 535516629 /nfs/dbraw/zinc/51/66/29/535516629.db2.gz XOWAVTZRUPTGOL-JMGFVUJMSA-N 0 3 308.378 2.308 20 5 DEBDHN CCN1CCN(CC(C)(C)Nc2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000450923205 535674437 /nfs/dbraw/zinc/67/44/37/535674437.db2.gz QBLCBXIWWWRPPB-UHFFFAOYSA-N 0 3 321.425 2.126 20 5 DEBDHN CC[NH+](CC)CCSc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736530871 599322817 /nfs/dbraw/zinc/32/28/17/599322817.db2.gz NXUOVUWVLLXVIY-UHFFFAOYSA-N 0 3 322.394 2.209 20 5 DEBDHN CC[NH+](CC)CCSc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736530871 599322819 /nfs/dbraw/zinc/32/28/19/599322819.db2.gz NXUOVUWVLLXVIY-UHFFFAOYSA-N 0 3 322.394 2.209 20 5 DEBDHN C[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000893280080 625375209 /nfs/dbraw/zinc/37/52/09/625375209.db2.gz UEOBEKWPBLTVJI-WOPDTQHZSA-N 0 3 312.391 2.069 20 5 DEBDHN CC(COC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)[N+](=O)[O-] ZINC000813100938 623292061 /nfs/dbraw/zinc/29/20/61/623292061.db2.gz YSCKFZRZMYQWAC-YUMQZZPRSA-N 0 3 300.242 2.046 20 5 DEBDHN C[C@H](NC(=O)N[C@H]1CCN(C)[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000922645429 636293205 /nfs/dbraw/zinc/29/32/05/636293205.db2.gz KKHQAZDFZMCDJL-MJVIPROJSA-N 0 3 306.366 2.048 20 5 DEBDHN COC(=O)c1cnc(CCNCc2ccccc2[N+](=O)[O-])s1 ZINC000922837635 636431247 /nfs/dbraw/zinc/43/12/47/636431247.db2.gz CKCUELLRRVRZLJ-UHFFFAOYSA-N 0 3 321.358 2.170 20 5 DEBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN[C@H](CO)C1CC1 ZINC000894268165 636622972 /nfs/dbraw/zinc/62/29/72/636622972.db2.gz BEBLIQUSBHUDKS-LLVKDONJSA-N 0 3 304.268 2.474 20 5 DEBDHN COc1c(O)ccc(CNC[C@](C)(OC)C2CC2)c1[N+](=O)[O-] ZINC000894563035 637106778 /nfs/dbraw/zinc/10/67/78/637106778.db2.gz AGULKXIUTOAOHJ-HNNXBMFYSA-N 0 3 310.350 2.214 20 5 DEBDHN COc1c([O-])ccc(C[NH2+]C[C@](C)(OC)C2CC2)c1[N+](=O)[O-] ZINC000894563035 637106781 /nfs/dbraw/zinc/10/67/81/637106781.db2.gz AGULKXIUTOAOHJ-HNNXBMFYSA-N 0 3 310.350 2.214 20 5 DEBDHN C[C@H](C(=O)N[C@H]1CCN(C)[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000928443045 637244370 /nfs/dbraw/zinc/24/43/70/637244370.db2.gz XMZUJJPQQAGACH-BHDSKKPTSA-N 0 3 309.341 2.046 20 5 DEBDHN O=[N+]([O-])c1cccc(-c2ccc(CN3C[C@@H]4C[C@]4(O)C3)o2)c1 ZINC000895645267 638132090 /nfs/dbraw/zinc/13/20/90/638132090.db2.gz AXLVBUKOLMZUNY-LRDDRELGSA-N 0 3 300.314 2.421 20 5 DEBDHN COC(=O)/C=C/c1ccc(N[C@@H]2CCN(C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000895738170 638177808 /nfs/dbraw/zinc/17/78/08/638177808.db2.gz GWKHKKPNXGTULD-VAFIWLDWSA-N 0 3 319.361 2.286 20 5 DEBDHN COc1ccccc1CNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749648076 638668886 /nfs/dbraw/zinc/66/88/86/638668886.db2.gz RAPVXZJOGJKORY-HNNXBMFYSA-N 0 3 302.330 2.427 20 5 DEBDHN COc1c(O)ccc(CNC[C@]2(C)CCCCO2)c1[N+](=O)[O-] ZINC000896923150 639078226 /nfs/dbraw/zinc/07/82/26/639078226.db2.gz GPJQOQKEZNPYNE-HNNXBMFYSA-N 0 3 310.350 2.358 20 5 DEBDHN Cc1nn(C)cc1[C@@H](C)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000754135175 639393272 /nfs/dbraw/zinc/39/32/72/639393272.db2.gz FSTQDWFCZLSFLZ-BMIGLBTASA-N 0 3 304.350 2.021 20 5 DEBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@@H](CCO)c2cccs2)c1 ZINC000754383248 639422827 /nfs/dbraw/zinc/42/28/27/639422827.db2.gz DOVCATGJLBXTGH-UONOGXRCSA-N 0 3 322.386 2.403 20 5 DEBDHN CCS(=O)(=O)C[C@H](C)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897463673 640432013 /nfs/dbraw/zinc/43/20/13/640432013.db2.gz BCZVKBDKKPPRQB-RYUDHWBXSA-N 0 3 314.407 2.111 20 5 DEBDHN CC(=O)c1c([N+](=O)[O-])cccc1N1CC[C@@H](N2CCCC2)C1 ZINC000763202497 640514828 /nfs/dbraw/zinc/51/48/28/640514828.db2.gz CAHSXFRNOWIFHD-CYBMUJFWSA-N 0 3 303.362 2.472 20 5 DEBDHN CCN1C[C@@H](C)N(c2nc3ccccn3c2[N+](=O)[O-])C[C@H]1C ZINC000765633017 640802811 /nfs/dbraw/zinc/80/28/11/640802811.db2.gz GRPWFDHROHBFOR-VXGBXAGGSA-N 0 3 303.366 2.161 20 5 DEBDHN NC(=O)[C@]12CCC[C@H]1CN(Cc1ccc([N+](=O)[O-])c(Cl)c1)C2 ZINC000897623666 640874093 /nfs/dbraw/zinc/87/40/93/640874093.db2.gz IMLNFUAQAMZZBV-NHYWBVRUSA-N 0 3 323.780 2.336 20 5 DEBDHN CN(Cc1cccc(O)c1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776593804 642190341 /nfs/dbraw/zinc/19/03/41/642190341.db2.gz ZFKSNFGGOHSQTL-MRXNPFEDSA-N 0 3 302.330 2.466 20 5 DEBDHN O=[N+]([O-])c1ccc(CNC[C@H](O)COCC2CC2)cc1Cl ZINC000783610925 643027342 /nfs/dbraw/zinc/02/73/42/643027342.db2.gz BTLPFCZYPPZKDN-LBPRGKRZSA-N 0 3 314.769 2.125 20 5 DEBDHN COc1cc([C@H](C)NC[C@@H](O)COCC2CC2)cc([N+](=O)[O-])c1 ZINC000903086364 643244095 /nfs/dbraw/zinc/24/40/95/643244095.db2.gz NMPSZOQMPUSPPF-XHDPSFHLSA-N 0 3 324.377 2.042 20 5 DEBDHN COc1cc([C@H](C)NC[C@H](OC)[C@@H]2CCOC2)cc([N+](=O)[O-])c1 ZINC000903196496 643282584 /nfs/dbraw/zinc/28/25/84/643282584.db2.gz PJXHLDSOHRAMOH-OZVIIMIRSA-N 0 3 324.377 2.306 20 5 DEBDHN C[C@@H](O)C[C@H]1CCCN1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000155443960 644872119 /nfs/dbraw/zinc/87/21/19/644872119.db2.gz JBKGFHSQEBIJPO-DGCLKSJQSA-N 0 3 304.350 2.137 20 5 DEBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000843850094 651039903 /nfs/dbraw/zinc/03/99/03/651039903.db2.gz DGPNANAKZVKCCP-LLVKDONJSA-N 0 3 321.352 2.423 20 5 DEBDHN CC(COC(=O)c1ccc(OC[C@H]2CCCO2)cc1)[N+](=O)[O-] ZINC000813102665 646728472 /nfs/dbraw/zinc/72/84/72/646728472.db2.gz IJYFSTUNGJPCHP-BXUZGUMPSA-N 0 3 309.318 2.066 20 5 DEBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813103470 646728625 /nfs/dbraw/zinc/72/86/25/646728625.db2.gz BMPPRLJNMXMOBU-ZYHUDNBSSA-N 0 3 310.306 2.372 20 5 DEBDHN CC(C)NC(=O)Nc1ccccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813103278 646728705 /nfs/dbraw/zinc/72/87/05/646728705.db2.gz BMGAHIZSKGINEO-JTQLQIEISA-N 0 3 309.322 2.039 20 5 DEBDHN COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813106309 646729583 /nfs/dbraw/zinc/72/95/83/646729583.db2.gz AJTQKIPFMMYJDZ-XHVZSJERSA-N 0 3 309.318 2.016 20 5 DEBDHN Cc1noc2nc(C(C)C)cc(C(=O)OCC(C)[N+](=O)[O-])c12 ZINC000813109030 646730231 /nfs/dbraw/zinc/73/02/31/646730231.db2.gz NQPPRCCBJHEINF-QMMMGPOBSA-N 0 3 307.306 2.477 20 5 DEBDHN Cc1noc2nc(C(C)C)cc(C(=O)OCC(C)[N+](=O)[O-])c12 ZINC000813109028 646730453 /nfs/dbraw/zinc/73/04/53/646730453.db2.gz NQPPRCCBJHEINF-MRVPVSSYSA-N 0 3 307.306 2.477 20 5 DEBDHN CC(COC(=O)c1cc(Cl)c2c(c1)OCCCO2)[N+](=O)[O-] ZINC000813107800 646730506 /nfs/dbraw/zinc/73/05/06/646730506.db2.gz QMHVWJHKJPPOIM-MRVPVSSYSA-N 0 3 315.709 2.323 20 5 DEBDHN CC(COC(=O)Cc1ccc(F)cc1Br)[N+](=O)[O-] ZINC000813108767 646730639 /nfs/dbraw/zinc/73/06/39/646730639.db2.gz LMKVHGBYCACOLF-SSDOTTSWSA-N 0 3 320.114 2.339 20 5 DEBDHN CC(=O)Nc1ccc(Cl)c(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813109897 646730647 /nfs/dbraw/zinc/73/06/47/646730647.db2.gz QBOBAURDPOAOEN-SSDOTTSWSA-N 0 3 300.698 2.120 20 5 DEBDHN CSc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000813112856 646731457 /nfs/dbraw/zinc/73/14/57/646731457.db2.gz UYBHZNOVKYORIE-ZETCQYMHSA-N 0 3 300.292 2.139 20 5 DEBDHN CC(COC(=O)c1ccc(CNC(=O)C(C)(C)C)cc1)[N+](=O)[O-] ZINC000813111773 646731510 /nfs/dbraw/zinc/73/15/10/646731510.db2.gz XDNDHYBZRPSICK-NSHDSACASA-N 0 3 322.361 2.171 20 5 DEBDHN COc1cc(Br)ccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813113359 646733050 /nfs/dbraw/zinc/73/30/50/646733050.db2.gz ZHRJTKYOSATXJW-ZETCQYMHSA-N 0 3 318.123 2.280 20 5 DEBDHN CC(=O)OC1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000153092264 646977809 /nfs/dbraw/zinc/97/78/09/646977809.db2.gz HNFGXJQDWVMXMD-UHFFFAOYSA-N 0 3 308.334 2.001 20 5 DEBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CC[C@H](O)CC23CCC3)cc1 ZINC000817292594 647260638 /nfs/dbraw/zinc/26/06/38/647260638.db2.gz VBIOXMATDSXGOJ-LSDHHAIUSA-N 0 3 306.362 2.008 20 5 DEBDHN Cc1c(CNC[C@@H](O)c2ccc(F)cn2)cccc1[N+](=O)[O-] ZINC000819261490 647620277 /nfs/dbraw/zinc/62/02/77/647620277.db2.gz KZNGBEBEVFEAJG-OAHLLOKOSA-N 0 3 305.309 2.261 20 5 DEBDHN Cc1c(CNCCNC(=O)c2cccs2)cccc1[N+](=O)[O-] ZINC000917136977 647974528 /nfs/dbraw/zinc/97/45/28/647974528.db2.gz DZZIEQHPRREOSO-UHFFFAOYSA-N 0 3 319.386 2.484 20 5 DEBDHN O=[N+]([O-])c1cc(Br)ccc1CN[C@@H](CO)C1CC1 ZINC000822845880 648302598 /nfs/dbraw/zinc/30/25/98/648302598.db2.gz WBEGSAJESLVYID-NSHDSACASA-N 0 3 315.167 2.218 20 5 DEBDHN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H](N)CC(F)F ZINC000826652469 648896824 /nfs/dbraw/zinc/89/68/24/648896824.db2.gz SOBRPZKXGITVES-JTQLQIEISA-N 0 3 321.711 2.189 20 5 DEBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@]3(CCOC3)C2)c1 ZINC000832348904 649700101 /nfs/dbraw/zinc/70/01/01/649700101.db2.gz UASPVTYITJKNNG-CVEARBPZSA-N 0 3 306.362 2.131 20 5 DEBDHN CCC[C@@H](C)[C@@H](CO)NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000844373923 651119827 /nfs/dbraw/zinc/11/98/27/651119827.db2.gz AMGUZAKQXXWCBO-ZWNOBZJWSA-N 0 3 311.338 2.390 20 5 DEBDHN O=[N+]([O-])c1ccc(Cc2noc([C@@H]3CC[C@H](C4CC4)N3)n2)nc1 ZINC000844912966 651182694 /nfs/dbraw/zinc/18/26/94/651182694.db2.gz MIKAGXHUZKBWKG-OLZOCXBDSA-N 0 3 315.333 2.167 20 5 DEBDHN CC([C@H](OC(=O)C1=CCOCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845878253 651291497 /nfs/dbraw/zinc/29/14/97/651291497.db2.gz RZHODDFNQOPSMH-HZMBPMFUSA-N 0 3 309.293 2.422 20 5 DEBDHN CCN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CCN(C)C1 ZINC000855360811 651682738 /nfs/dbraw/zinc/68/27/38/651682738.db2.gz OQYDKXDYLSCXHS-LLVKDONJSA-N 0 3 311.769 2.414 20 5 DEBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(C)[C@H]2C)c1 ZINC000928451000 693783564 /nfs/dbraw/zinc/78/35/64/693783564.db2.gz JPHAIFLDUZUQRL-CABZTGNLSA-N 0 3 309.391 2.139 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000929092525 693893319 /nfs/dbraw/zinc/89/33/19/693893319.db2.gz SSXJLRDYBRADLY-GFCCVEGCSA-N 0 3 322.365 2.161 20 5 DEBDHN CN1C[C@H]2CCN(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000929212751 693917738 /nfs/dbraw/zinc/91/77/38/693917738.db2.gz TZXGJQODDHCXDR-RNCFNFMXSA-N 0 3 324.768 2.416 20 5 DEBDHN CN1C[C@H]2CCN(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000929212750 693917848 /nfs/dbraw/zinc/91/78/48/693917848.db2.gz TZXGJQODDHCXDR-NOZJJQNGSA-N 0 3 324.768 2.416 20 5 DEBDHN CCN(C(=O)c1cc([N+](=O)[O-])ccc1F)C1CCN(C)CC1 ZINC000861891107 686200421 /nfs/dbraw/zinc/20/04/21/686200421.db2.gz SOWFPTRLZWGHTC-UHFFFAOYSA-N 0 3 309.341 2.290 20 5 DEBDHN CC(=O)c1cc(N[C@H]2CCN(CC(C)(C)O)C2)ccc1[N+](=O)[O-] ZINC000865998460 687404322 /nfs/dbraw/zinc/40/43/22/687404322.db2.gz ISHYLVJNRWJLBY-ZDUSSCGKSA-N 0 3 321.377 2.055 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(N2CCC(N3CCN(C)CC3)CC2)c1 ZINC000866213308 687495136 /nfs/dbraw/zinc/49/51/36/687495136.db2.gz TWVLYTATGQFEFL-UHFFFAOYSA-N 0 3 318.421 2.119 20 5 DEBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCC(C)(C)C(N)=O ZINC000872054314 688920024 /nfs/dbraw/zinc/92/00/24/688920024.db2.gz SXCOLIZYIMUADR-VIFPVBQESA-N 0 3 311.407 2.479 20 5 DEBDHN CN1CCC[C@@H]2[C@H]1CCN2c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000872778444 689090881 /nfs/dbraw/zinc/09/08/81/689090881.db2.gz HXDHRHZFJHPZJG-VXGBXAGGSA-N 0 3 306.322 2.176 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN[C@@H](C)[C@@H]1CN(C)CCO1 ZINC000873081798 689155640 /nfs/dbraw/zinc/15/56/40/689155640.db2.gz RLGKUYXGNQEVFV-BBRMVZONSA-N 0 3 307.394 2.020 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN[C@@H](CO)C[C@H](O)C(C)(C)C ZINC000873124840 689163834 /nfs/dbraw/zinc/16/38/34/689163834.db2.gz VJMGZYIXFCFONJ-CJNGLKHVSA-N 0 3 324.421 2.459 20 5 DEBDHN C[C@H](C(=O)N1CC[C@H]2[C@@H]1CCCN2C)c1cccc([N+](=O)[O-])c1 ZINC000874827373 689503498 /nfs/dbraw/zinc/50/34/98/689503498.db2.gz BYYWTBDNQRAUTP-RCBQFDQVSA-N 0 3 317.389 2.393 20 5 DEBDHN Cc1ccc(C(=O)N2CC[C@@H]3[C@@H]2CCCN3C)cc1[N+](=O)[O-] ZINC000874849336 689517925 /nfs/dbraw/zinc/51/79/25/689517925.db2.gz JJRDAZGAIRJCRR-KGLIPLIRSA-N 0 3 303.362 2.212 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC(OCCO)CC1 ZINC000876791405 689938152 /nfs/dbraw/zinc/93/81/52/689938152.db2.gz LTORFFOROHCMRU-UHFFFAOYSA-N 0 3 308.378 2.185 20 5 DEBDHN O=C(NC[C@H]1Cc2ccccc2CN1)c1csc([N+](=O)[O-])c1 ZINC000877346885 690084258 /nfs/dbraw/zinc/08/42/58/690084258.db2.gz VEWLMSJDZCUXJI-CYBMUJFWSA-N 0 3 317.370 2.101 20 5 DEBDHN C[C@](CO)(NC[C@@H]1C[C@H]2CCC[C@@H]2O1)c1cccc([N+](=O)[O-])c1 ZINC000879273673 690607669 /nfs/dbraw/zinc/60/76/69/690607669.db2.gz XOZZDNIDFRSXNL-ISWURRPUSA-N 0 3 320.389 2.350 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(CO)(CO)CC1 ZINC000879970496 690770583 /nfs/dbraw/zinc/77/05/83/690770583.db2.gz SWCCEISMOZDNPC-CYBMUJFWSA-N 0 3 308.378 2.031 20 5 DEBDHN Cc1csc([C@@H]2CCN(CCn3ccc([N+](=O)[O-])n3)C2)n1 ZINC000880007421 690779941 /nfs/dbraw/zinc/77/99/41/690779941.db2.gz HBGDTZYXPMTMKS-LLVKDONJSA-N 0 3 307.379 2.046 20 5 DEBDHN C[C@@](CO)(NCCc1ccns1)c1cccc([N+](=O)[O-])c1 ZINC000931469345 694405901 /nfs/dbraw/zinc/40/59/01/694405901.db2.gz RMKQCJOZLQSVOK-AWEZNQCLSA-N 0 3 307.375 2.091 20 5 DEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000931495323 694412993 /nfs/dbraw/zinc/41/29/93/694412993.db2.gz ISCWIBBXKSNNGD-MFKMUULPSA-N 0 3 306.366 2.371 20 5 DEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000931495350 694412939 /nfs/dbraw/zinc/41/29/39/694412939.db2.gz JGHXLZLDNUNTRW-DOMZBBRYSA-N 0 3 318.377 2.325 20 5 DEBDHN O=[N+]([O-])c1ccccc1/C=C\CNCC[C@@H]1CCCS1(=O)=O ZINC000883300090 691477287 /nfs/dbraw/zinc/47/72/87/691477287.db2.gz NQEQCKARIWEBDX-XSHSDMCLSA-N 0 3 324.402 2.165 20 5 DEBDHN CCOc1ccc([C@H](C)NCCO[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000927086544 693552617 /nfs/dbraw/zinc/55/26/17/693552617.db2.gz WNVSUJMCPRBIJH-GXTWGEPZSA-N 0 3 324.377 2.450 20 5 DEBDHN O=C(c1cccc2c1CNC2)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001333630966 1150071541 /nfs/dbraw/zinc/07/15/41/1150071541.db2.gz TWANEKMMSBBDHV-UHFFFAOYSA-N 0 3 323.352 2.397 20 5 DEBDHN CC(COC(=O)c1cc(-c2ccc(F)cc2)n(C)n1)[N+](=O)[O-] ZINC001344806296 1150843261 /nfs/dbraw/zinc/84/32/61/1150843261.db2.gz BSUGDRMCBGVCIB-SECBINFHSA-N 0 3 307.281 2.048 20 5 DEBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@]23CCN(C2)CCC3)c1 ZINC001438609277 1180659194 /nfs/dbraw/zinc/65/91/94/1180659194.db2.gz XSLODSICVSDAQD-HNNXBMFYSA-N 0 3 321.402 2.285 20 5 DEBDHN COC[C@H](CCNCc1ccc(Cl)cc1[N+](=O)[O-])OC ZINC000694630244 777897741 /nfs/dbraw/zinc/89/77/41/777897741.db2.gz FMXFECXZUKCLLT-LBPRGKRZSA-N 0 3 302.758 2.389 20 5 DEBDHN Cc1cc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)co1 ZINC001126219572 778612136 /nfs/dbraw/zinc/61/21/36/778612136.db2.gz JMLOFVJKLAAMPC-UHFFFAOYSA-N 0 3 303.318 2.016 20 5 DEBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC001169006712 785000935 /nfs/dbraw/zinc/00/09/35/785000935.db2.gz JCUOQSXIURJZHS-CJNGLKHVSA-N 0 3 307.369 2.393 20 5 DEBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](NCc2ccn(Cc3ccccc3)n2)C1 ZINC001168987984 785006207 /nfs/dbraw/zinc/00/62/07/785006207.db2.gz MDLSFVINLINLPD-HZPDHXFCSA-N 0 3 314.389 2.466 20 5 DEBDHN CCOC(=O)C1=C(Nc2c(C)cccc2[N+](=O)[O-])CCNC1 ZINC001170515629 787476744 /nfs/dbraw/zinc/47/67/44/787476744.db2.gz LQPQWUZJKQZYNV-UHFFFAOYSA-N 0 3 305.334 2.126 20 5 DEBDHN C[C@H](Nc1cc(C(F)(F)F)ccc1[N+](=O)[O-])[C@H]1CNCCO1 ZINC001170567489 787642072 /nfs/dbraw/zinc/64/20/72/787642072.db2.gz JZTJSMSOIULCST-QPUJVOFHSA-N 0 3 319.283 2.402 20 5 DEBDHN CC1(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)CCCC1 ZINC001132004188 787880679 /nfs/dbraw/zinc/88/06/79/787880679.db2.gz UBLPCAICJLEMSH-UHFFFAOYSA-N 0 3 305.378 2.381 20 5 DEBDHN CC(C)C1(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001133556473 788485917 /nfs/dbraw/zinc/48/59/17/788485917.db2.gz BAXGJYSYCXPSQL-UHFFFAOYSA-N 0 3 305.378 2.237 20 5 DEBDHN COC(=O)C[C@@H]1CCCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750050393 791966717 /nfs/dbraw/zinc/96/67/17/791966717.db2.gz AEUHSVXSOBVYBL-DZGCQCFKSA-N 0 3 322.361 2.046 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N(C)[C@@H]2CCOC2)c1F ZINC001173189290 793623056 /nfs/dbraw/zinc/62/30/56/793623056.db2.gz KCSISJBPPHEWJF-WDEREUQCSA-N 0 3 312.341 2.394 20 5 DEBDHN CCCN1CC[C@@H](NC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])C1 ZINC001118793045 795227398 /nfs/dbraw/zinc/22/73/98/795227398.db2.gz RYJRVOBQXMCVTH-LLVKDONJSA-N 0 3 309.341 2.256 20 5 DEBDHN NCc1ccc2c(n1)N(c1cc([N+](=O)[O-])c3cc[nH]c3n1)CCC2 ZINC001158651603 798443784 /nfs/dbraw/zinc/44/37/84/798443784.db2.gz DQCXOVUQSRNMHE-UHFFFAOYSA-N 0 3 324.344 2.409 20 5 DEBDHN NCc1ccc2c(n1)N(c1ccc3[nH]cc([N+](=O)[O-])c3n1)CCC2 ZINC001158652252 798444533 /nfs/dbraw/zinc/44/45/33/798444533.db2.gz KYAUOAUWPJFRRE-UHFFFAOYSA-N 0 3 324.344 2.409 20 5 DEBDHN C[C@H](Nc1nc(Cl)c(Cl)cc1[N+](=O)[O-])[C@@H]1CNCCO1 ZINC001159495540 798572163 /nfs/dbraw/zinc/57/21/63/798572163.db2.gz FVTPLJLWRHYABV-RCOVLWMOSA-N 0 3 321.164 2.085 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC001200804432 798682693 /nfs/dbraw/zinc/68/26/93/798682693.db2.gz ZAJDDHBQADFCLS-NORZTCDRSA-N 0 3 317.389 2.311 20 5 DEBDHN O=[N+]([O-])c1cc2c(cc1F)ncnc2N[C@H]1CN2CCC1CC2 ZINC001163386788 799328784 /nfs/dbraw/zinc/32/87/84/799328784.db2.gz YQQJYSDWWGJCDU-ZDUSSCGKSA-N 0 3 317.324 2.183 20 5 DEBDHN CCOc1nc(N2CCN(C(C)C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC001165199627 799671186 /nfs/dbraw/zinc/67/11/86/799671186.db2.gz FIBZHNNAHJRPLW-GFCCVEGCSA-N 0 3 308.382 2.307 20 5 DEBDHN CCN1CCC[C@H](Oc2cccc([N+](=O)[O-])c2C(=O)OC)C1 ZINC001229049502 801214970 /nfs/dbraw/zinc/21/49/70/801214970.db2.gz BVOUTLJYHWOEHE-NSHDSACASA-N 0 3 308.334 2.245 20 5 DEBDHN CO[C@@H]1CCN(CCOc2ccc3cccc([N+](=O)[O-])c3n2)C1 ZINC001233837507 802221210 /nfs/dbraw/zinc/22/12/10/802221210.db2.gz ZBNXANHYNWPQND-CYBMUJFWSA-N 0 3 317.345 2.243 20 5 DEBDHN CCOC(=O)c1ccc(CO[C@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC001223967099 802826451 /nfs/dbraw/zinc/82/64/51/802826451.db2.gz SXJLNEBYAWNBJR-AWEZNQCLSA-N 0 3 322.361 2.382 20 5 DEBDHN CN1CCC(Oc2nc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC001227244246 803221290 /nfs/dbraw/zinc/22/12/90/803221290.db2.gz XGEAQIVJVZRYQY-UHFFFAOYSA-N 0 3 305.256 2.482 20 5 DEBDHN Cc1ccc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])nn1 ZINC001344024778 1150792678 /nfs/dbraw/zinc/79/26/78/1150792678.db2.gz XGAUGXJJBCLIEO-HZMBPMFUSA-N 0 3 319.292 2.487 20 5 DEBDHN CN1CCCC[C@@H]1CNC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001346501725 1150997429 /nfs/dbraw/zinc/99/74/29/1150997429.db2.gz ZFALNWWOOCBMQJ-LLVKDONJSA-N 0 3 310.329 2.340 20 5 DEBDHN CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603999411 1070171506 /nfs/dbraw/zinc/17/15/06/1070171506.db2.gz WXAPMZKCQVYBOO-ZJUUUORDSA-N 0 3 304.354 2.299 20 5 DEBDHN CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603999411 1070171509 /nfs/dbraw/zinc/17/15/09/1070171509.db2.gz WXAPMZKCQVYBOO-ZJUUUORDSA-N 0 3 304.354 2.299 20 5 DEBDHN CC[C@H](C[N+](=O)[O-])OC(=O)C1CCN(Cc2ccccc2)CC1 ZINC001526648835 1070329610 /nfs/dbraw/zinc/32/96/10/1070329610.db2.gz JFNBWKJWCMPIAV-MRXNPFEDSA-N 0 3 320.389 2.497 20 5 DEBDHN CC[C@@H](C[N+](=O)[O-])OC(=O)C1CCN(Cc2ccccc2)CC1 ZINC001526648834 1070329855 /nfs/dbraw/zinc/32/98/55/1070329855.db2.gz JFNBWKJWCMPIAV-INIZCTEOSA-N 0 3 320.389 2.497 20 5 DEBDHN CC1=NO[C@@H](CN[C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001474649011 1060911592 /nfs/dbraw/zinc/91/15/92/1060911592.db2.gz XDHLMHRETFDFHR-IINYFYTJSA-N 0 3 320.349 2.066 20 5 DEBDHN CC[C@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@H]1C ZINC001577162343 1066777040 /nfs/dbraw/zinc/77/70/40/1066777040.db2.gz VTGQTOGXCBISSR-QWRGUYRKSA-N 0 3 316.365 2.395 20 5 DEBDHN CC[C@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@H]1C ZINC001577162343 1066777044 /nfs/dbraw/zinc/77/70/44/1066777044.db2.gz VTGQTOGXCBISSR-QWRGUYRKSA-N 0 3 316.365 2.395 20 5 DEBDHN CC[C@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@H]1C ZINC001577162343 1066777047 /nfs/dbraw/zinc/77/70/47/1066777047.db2.gz VTGQTOGXCBISSR-QWRGUYRKSA-N 0 3 316.365 2.395 20 5 DEBDHN CC[C@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@H]1C ZINC001577162343 1066777051 /nfs/dbraw/zinc/77/70/51/1066777051.db2.gz VTGQTOGXCBISSR-QWRGUYRKSA-N 0 3 316.365 2.395 20 5 DEBDHN CCc1ccc(C(=O)Nc2ncccc2CN)cc1[N+](=O)[O-] ZINC001578252532 1067035680 /nfs/dbraw/zinc/03/56/80/1067035680.db2.gz DTVPBLRRYRTWPE-UHFFFAOYSA-N 0 3 300.318 2.263 20 5 DEBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@H]1CN2CCC1CC2 ZINC001640525640 1078665383 /nfs/dbraw/zinc/66/53/83/1078665383.db2.gz QTWARORWHQENII-AWEZNQCLSA-N 0 3 319.361 2.196 20 5 DEBDHN CC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])CC(C)C ZINC001590719776 1076671321 /nfs/dbraw/zinc/67/13/21/1076671321.db2.gz PMUJKPLRFRGXQM-UHFFFAOYSA-N 0 3 304.354 2.253 20 5 DEBDHN CC[N@H+](Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])CC(C)C ZINC001590719776 1076671330 /nfs/dbraw/zinc/67/13/30/1076671330.db2.gz PMUJKPLRFRGXQM-UHFFFAOYSA-N 0 3 304.354 2.253 20 5 DEBDHN C[C@@H]1CC[N@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC001591735023 1076779894 /nfs/dbraw/zinc/77/98/94/1076779894.db2.gz LIXZKHJQPCQQEV-GHMZBOCLSA-N 0 3 316.365 2.395 20 5 DEBDHN C[C@@H]1CC[N@@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC001591735023 1076779897 /nfs/dbraw/zinc/77/98/97/1076779897.db2.gz LIXZKHJQPCQQEV-GHMZBOCLSA-N 0 3 316.365 2.395 20 5 DEBDHN CN(C)C1(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001597237781 1077090725 /nfs/dbraw/zinc/09/07/25/1077090725.db2.gz VEKZWDVQAORCMA-UHFFFAOYSA-N 0 3 305.378 2.128 20 5 DEBDHN O=C(CNC1([C@@H]2CCCO2)CCC1)Nc1ccccc1[N+](=O)[O-] ZINC001656523013 1080098664 /nfs/dbraw/zinc/09/86/64/1080098664.db2.gz AKFZIHDWVUKSRN-AWEZNQCLSA-N 0 3 319.361 2.225 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCO[C@H](C(C)(C)C)CC1 ZINC001660688718 1080379729 /nfs/dbraw/zinc/37/97/29/1080379729.db2.gz YPPKGCMHBHGWHY-ZDUSSCGKSA-N 0 3 310.398 2.237 20 5 DEBDHN O=C(CCC(F)(F)F)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001125227261 1080602074 /nfs/dbraw/zinc/60/20/74/1080602074.db2.gz PPDKTTDGLGHGAZ-UHFFFAOYSA-N 0 3 319.283 2.143 20 5 DEBDHN CC(=O)NC1CC2(CC(NCc3csc([N+](=O)[O-])c3)C2)C1 ZINC000963436310 1086453912 /nfs/dbraw/zinc/45/39/12/1086453912.db2.gz VMSDZWNIQDJPSZ-UHFFFAOYSA-N 0 3 309.391 2.193 20 5 DEBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC001352046552 1151665136 /nfs/dbraw/zinc/66/51/36/1151665136.db2.gz YKBYYNKIJBNFCT-GXFFZTMASA-N 0 3 321.402 2.093 20 5 DEBDHN CCOC(=O)C[C@@H]1CCCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001320585809 1140882778 /nfs/dbraw/zinc/88/27/78/1140882778.db2.gz XISACVWYXUVWJU-LSDHHAIUSA-N 0 3 322.361 2.046 20 5 DEBDHN CC1(C)CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1(C)C ZINC001320887521 1140970733 /nfs/dbraw/zinc/97/07/33/1140970733.db2.gz DZGAWFJKCMXQJV-LBPRGKRZSA-N 0 3 308.378 2.455 20 5 DEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCNC[C@H]1C(F)(F)F ZINC001246992360 1141226784 /nfs/dbraw/zinc/22/67/84/1141226784.db2.gz QNHRFQNFVDWUEY-GWCFXTLKSA-N 0 3 317.311 2.362 20 5 DEBDHN CN(CCCNCc1ccccc1[N+](=O)[O-])C(=O)C1CCC1 ZINC001322382228 1141551528 /nfs/dbraw/zinc/55/15/28/1141551528.db2.gz MDWDPWXNQPIGOD-UHFFFAOYSA-N 0 3 305.378 2.333 20 5 DEBDHN CN(C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1(C)COC1 ZINC001254479752 1143137375 /nfs/dbraw/zinc/13/73/75/1143137375.db2.gz KMJIHNOTPMHEDG-UHFFFAOYSA-N 0 3 305.378 2.284 20 5 DEBDHN COCCn1cnc(CN[C@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001254546344 1143244974 /nfs/dbraw/zinc/24/49/74/1143244974.db2.gz RMUWHYRXQFDILS-CYBMUJFWSA-N 0 3 318.377 2.159 20 5 DEBDHN O=C(CN[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)Cc1ccccc1 ZINC001254579387 1143262810 /nfs/dbraw/zinc/26/28/10/1143262810.db2.gz RGFCFCKDQMXNKK-MRXNPFEDSA-N 0 3 310.353 2.463 20 5 DEBDHN COC(=O)C1(C)CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254601430 1143275422 /nfs/dbraw/zinc/27/54/22/1143275422.db2.gz ZXTILYMVQWEEFT-HNNXBMFYSA-N 0 3 318.373 2.337 20 5 DEBDHN COC(=O)C[C@@H]1CCCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254605524 1143281145 /nfs/dbraw/zinc/28/11/45/1143281145.db2.gz AZKUPUMZDMYOPJ-LRDDRELGSA-N 0 3 318.373 2.337 20 5 DEBDHN C[C@H](CNC(=O)N1CCN[C@H](C)[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC001262598871 1144322246 /nfs/dbraw/zinc/32/22/46/1144322246.db2.gz HQPNVQYZGXXRDW-JHJVBQTASA-N 0 3 320.393 2.090 20 5 DEBDHN C[C@H](CNC(=O)N1CCN[C@@H](C)[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC001262598870 1144322458 /nfs/dbraw/zinc/32/24/58/1144322458.db2.gz HQPNVQYZGXXRDW-FRRDWIJNSA-N 0 3 320.393 2.090 20 5 DEBDHN Cn1nccc1N1CCC[C@@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000278310135 214081767 /nfs/dbraw/zinc/08/17/67/214081767.db2.gz DZMRJKMQCSADCT-GFCCVEGCSA-N 0 3 321.406 2.148 20 5 DEBDHN Cc1ccnc(NCCCN2CCCO[C@H](C)C2)c1[N+](=O)[O-] ZINC000278323432 214091083 /nfs/dbraw/zinc/09/10/83/214091083.db2.gz ZBXRJDKLXZQAPN-CYBMUJFWSA-N 0 3 308.382 2.211 20 5 DEBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H](C)CN1CCCCC1 ZINC000301498913 290623953 /nfs/dbraw/zinc/62/39/53/290623953.db2.gz CRUZJOMEKFXGNI-LBPRGKRZSA-N 0 3 320.393 2.241 20 5 DEBDHN O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@H]1CCN(CC2CC2)C1 ZINC000612611684 361873307 /nfs/dbraw/zinc/87/33/07/361873307.db2.gz FHLVBPRDAJRHQI-NSHDSACASA-N 0 3 322.340 2.340 20 5 DEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCS[C@H]2CCCC[C@@H]21 ZINC000090552064 185302831 /nfs/dbraw/zinc/30/28/31/185302831.db2.gz GZKAOEMVBIRWFP-KBPBESRZSA-N 0 3 323.418 2.117 20 5 DEBDHN CCC1(CC)[C@H](OC)C[C@H]1N(C)CCn1ccc([N+](=O)[O-])n1 ZINC000140655672 186027644 /nfs/dbraw/zinc/02/76/44/186027644.db2.gz UHEJTBKXWZNBAD-CHWSQXEVSA-N 0 3 310.398 2.317 20 5 DEBDHN COc1ccc(CNC[C@H](O)c2ccsc2)cc1[N+](=O)[O-] ZINC000152553899 186084464 /nfs/dbraw/zinc/08/44/64/186084464.db2.gz BXPMDURWIOPJLC-ZDUSSCGKSA-N 0 3 308.359 2.488 20 5 DEBDHN C[C@H](NCC1([S@@](C)=O)CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284983156 186562128 /nfs/dbraw/zinc/56/21/28/186562128.db2.gz GEKTZSXIDZUNAY-CHNSCGDPSA-N 0 3 311.407 2.129 20 5 DEBDHN C[C@@H]1CN(CCN(C)CCc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000595482457 358460878 /nfs/dbraw/zinc/46/08/78/358460878.db2.gz BVIZPHOYUBRMGT-GASCZTMLSA-N 0 3 321.421 2.178 20 5 DEBDHN CCNC(=O)C1(CNCc2ccc(C)c([N+](=O)[O-])c2)CCC1 ZINC000277155292 213332577 /nfs/dbraw/zinc/33/25/77/213332577.db2.gz GESFFYNRCSLSAM-UHFFFAOYSA-N 0 3 305.378 2.299 20 5 DEBDHN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H](N2CC=CC2)C1 ZINC000173227235 198198208 /nfs/dbraw/zinc/19/82/08/198198208.db2.gz XICJKHPAWWIDSB-AWEZNQCLSA-N 0 3 302.334 2.073 20 5 DEBDHN CC1CCN(C[C@H](O)CNc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000067373170 354759905 /nfs/dbraw/zinc/75/99/05/354759905.db2.gz FZLXDRGEXUAHQS-CYBMUJFWSA-N 0 3 311.357 2.239 20 5 DEBDHN COc1cc(NC2CCN([C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000089603290 355538460 /nfs/dbraw/zinc/53/84/60/355538460.db2.gz WBCUMOXPKTXPOH-AWEZNQCLSA-N 0 3 321.377 2.269 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(N2CCN([C@H]3CCCN(C)C3)CC2)c1 ZINC000088723439 355518467 /nfs/dbraw/zinc/51/84/67/355518467.db2.gz SCZPKAGMJOTWNE-HNNXBMFYSA-N 0 3 318.421 2.119 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(N2CCC(CN3CCOCC3)CC2)c1 ZINC000088701231 355518489 /nfs/dbraw/zinc/51/84/89/355518489.db2.gz HDHAUJZTJAGTQK-UHFFFAOYSA-N 0 3 319.405 2.452 20 5 DEBDHN CC[C@H](N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000182280294 356118906 /nfs/dbraw/zinc/11/89/06/356118906.db2.gz ZNUAFOYGWKCYAA-HUBLWGQQSA-N 0 3 321.377 2.469 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(C)(O)CC1 ZINC000177315856 198702593 /nfs/dbraw/zinc/70/25/93/198702593.db2.gz DRZOEAWXSFMPKU-UHFFFAOYSA-N 0 3 321.377 2.079 20 5 DEBDHN CC[C@@H](C)[C@H](C)NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000183014186 356155862 /nfs/dbraw/zinc/15/58/62/356155862.db2.gz MJNKGYTZDADLHM-ZJUUUORDSA-N 0 3 323.349 2.286 20 5 DEBDHN Cc1cc(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)ncn1 ZINC000618572269 363530457 /nfs/dbraw/zinc/53/04/57/363530457.db2.gz DRMGBKYVOURNOZ-ZIAGYGMSSA-N 0 3 316.365 2.163 20 5 DEBDHN Cc1cc(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n[nH]1 ZINC000618569260 363530773 /nfs/dbraw/zinc/53/07/73/363530773.db2.gz ZYUUCSGRANVLHV-STQMWFEESA-N 0 3 304.354 2.096 20 5 DEBDHN Cc1cc(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)[nH]n1 ZINC000618569260 363530778 /nfs/dbraw/zinc/53/07/78/363530778.db2.gz ZYUUCSGRANVLHV-STQMWFEESA-N 0 3 304.354 2.096 20 5 DEBDHN C[C@H](NC(=O)[C@H]1CNCCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000591667881 357749625 /nfs/dbraw/zinc/74/96/25/357749625.db2.gz DRWDFUZKGQBZRI-JOYOIKCWSA-N 0 3 313.304 2.017 20 5 DEBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCNCC1(C)C ZINC000591678400 357750516 /nfs/dbraw/zinc/75/05/16/357750516.db2.gz SUCXIRCWVKONKA-NSHDSACASA-N 0 3 323.418 2.286 20 5 DEBDHN CC1(C)CN[C@@H]1C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000591686539 357751364 /nfs/dbraw/zinc/75/13/64/357751364.db2.gz UDAUWFLQQLIWEZ-CQSZACIVSA-N 0 3 303.362 2.084 20 5 DEBDHN CCO[C@@H]1CCC[C@H]1N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000452014993 283284893 /nfs/dbraw/zinc/28/48/93/283284893.db2.gz LMXMBMSSYJRIJJ-NILFDRSVSA-N 0 3 321.377 2.469 20 5 DEBDHN C[C@@H]1CCCN(CCNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593408773 358071909 /nfs/dbraw/zinc/07/19/09/358071909.db2.gz UPGNGKKNZHSURS-GFCCVEGCSA-N 0 3 323.368 2.125 20 5 DEBDHN COc1ccc(OCCN2CCCCC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000594015024 358189134 /nfs/dbraw/zinc/18/91/34/358189134.db2.gz SQDZOGNDAMQIJV-ZDUSSCGKSA-N 0 3 324.377 2.219 20 5 DEBDHN O=C(N[C@H]1CCCN2CCCC[C@@H]12)c1ccc(F)cc1[N+](=O)[O-] ZINC000594195174 358220848 /nfs/dbraw/zinc/22/08/48/358220848.db2.gz CUAQIGDJEGZKNU-KBPBESRZSA-N 0 3 321.352 2.481 20 5 DEBDHN C[C@H](NCc1cc([N+](=O)[O-])ccc1OC(F)F)C1(CO)CC1 ZINC000594966981 358370843 /nfs/dbraw/zinc/37/08/43/358370843.db2.gz UBUKIEDQHDXAIS-VIFPVBQESA-N 0 3 316.304 2.447 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCCC(=O)N(C)C ZINC000595010933 358377569 /nfs/dbraw/zinc/37/75/69/358377569.db2.gz ZZAYCHAUQUHJIY-NSHDSACASA-N 0 3 309.366 2.122 20 5 DEBDHN Cc1noc(CN2CCC[C@@H]2CN2CCCCC2)c1[N+](=O)[O-] ZINC000595305747 358417872 /nfs/dbraw/zinc/41/78/72/358417872.db2.gz JWGYPNNYYOJCBH-CYBMUJFWSA-N 0 3 308.382 2.342 20 5 DEBDHN CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC1=CCCOC1 ZINC000595754615 358542152 /nfs/dbraw/zinc/54/21/52/358542152.db2.gz ZJQUBDXMUXWQRE-UHFFFAOYSA-N 0 3 319.361 2.202 20 5 DEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000595744985 358539021 /nfs/dbraw/zinc/53/90/21/358539021.db2.gz XJPCPWVWZJWBLB-MBNYWOFBSA-N 0 3 303.362 2.256 20 5 DEBDHN CN1CCCC(C)(C)[C@@H]1CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596217849 358642715 /nfs/dbraw/zinc/64/27/15/358642715.db2.gz XUKQJRHBNCNQPJ-AWEZNQCLSA-N 0 3 320.393 2.226 20 5 DEBDHN C[C@@H]1C[C@@H](C)C[NH+](CCCNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596077164 358604677 /nfs/dbraw/zinc/60/46/77/358604677.db2.gz LLVLHWGKYGKEFZ-VXGBXAGGSA-N 0 3 308.382 2.475 20 5 DEBDHN Nc1ccc(N2CCN(CC3CCCCC3)CC2)nc1[N+](=O)[O-] ZINC000596097918 358610617 /nfs/dbraw/zinc/61/06/17/358610617.db2.gz KDCWESKHYIFJOG-UHFFFAOYSA-N 0 3 319.409 2.274 20 5 DEBDHN CS[C@H]1CN(c2cc(C)sc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000596179377 358631829 /nfs/dbraw/zinc/63/18/29/358631829.db2.gz PHBQTGQVNCBPLQ-MNOVXSKESA-N 0 3 301.437 2.447 20 5 DEBDHN CN(C/C=C/c1ccccc1[N+](=O)[O-])C1(CO)CCOCC1 ZINC000597252938 358870658 /nfs/dbraw/zinc/87/06/58/358870658.db2.gz XCBMTHYEHSBQAS-GQCTYLIASA-N 0 3 306.362 2.081 20 5 DEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)C[C@@H]1COCCO1 ZINC000597208262 358853975 /nfs/dbraw/zinc/85/39/75/358853975.db2.gz XVOCTKSWBBATFR-WDBUWWRISA-N 0 3 306.362 2.345 20 5 DEBDHN CC(C)(C)N1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000597921803 359041974 /nfs/dbraw/zinc/04/19/74/359041974.db2.gz BOVUQDMQUJMSDT-SNVBAGLBSA-N 0 3 309.341 2.337 20 5 DEBDHN CN1CC[C@]2(C1)CCCN(C(=O)c1ccc([N+](=O)[O-])cc1F)C2 ZINC000597715592 358986043 /nfs/dbraw/zinc/98/60/43/358986043.db2.gz NKQWGXUZPWVPEB-INIZCTEOSA-N 0 3 321.352 2.292 20 5 DEBDHN CCCN1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000598343872 359170220 /nfs/dbraw/zinc/17/02/20/359170220.db2.gz XCUBIBQYUJYPNH-CYBMUJFWSA-N 0 3 305.378 2.426 20 5 DEBDHN CCn1nncc1CN[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000599060269 359392826 /nfs/dbraw/zinc/39/28/26/359392826.db2.gz FTVJIKPLNQHHQC-HNNXBMFYSA-N 0 3 315.377 2.317 20 5 DEBDHN CCN(C)C(=O)CN[C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000186814269 200014943 /nfs/dbraw/zinc/01/49/43/200014943.db2.gz QEVNONVLYIGNIF-ZFWWWQNUSA-N 0 3 319.405 2.374 20 5 DEBDHN CC[C@]1(CO)CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000187598648 200132996 /nfs/dbraw/zinc/13/29/96/200132996.db2.gz MIMFLKRUYLBSGK-INIZCTEOSA-N 0 3 308.378 2.458 20 5 DEBDHN CCCN1CCC[C@H]1CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601581591 360077880 /nfs/dbraw/zinc/07/78/80/360077880.db2.gz MFINFETXDACYQN-NSHDSACASA-N 0 3 309.341 2.338 20 5 DEBDHN CCN1CCC[C@H]1CNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602511225 360411287 /nfs/dbraw/zinc/41/12/87/360411287.db2.gz UEZWGTAPQZVZED-LBPRGKRZSA-N 0 3 304.350 2.310 20 5 DEBDHN CCCN1CC[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602713646 360514329 /nfs/dbraw/zinc/51/43/29/360514329.db2.gz NXYHGOZBDWLWQL-LLVKDONJSA-N 0 3 304.350 2.310 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCSC[C@@H]1C1CCC1 ZINC000602845544 360587771 /nfs/dbraw/zinc/58/77/71/360587771.db2.gz JRGNWMAOTUIOJR-CYBMUJFWSA-N 0 3 310.423 2.317 20 5 DEBDHN CCc1nncn1CCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000518397632 283567331 /nfs/dbraw/zinc/56/73/31/283567331.db2.gz PHTRVWYUTIFKEB-ZDUSSCGKSA-N 0 3 301.350 2.026 20 5 DEBDHN CC(C)(C)[C@H](N)c1cn(Cc2ccc(F)cc2[N+](=O)[O-])nn1 ZINC000603223277 360753505 /nfs/dbraw/zinc/75/35/05/360753505.db2.gz HSXQZRLADHQARO-CYBMUJFWSA-N 0 3 307.329 2.420 20 5 DEBDHN CN(CCCN(C)c1ccc([N+](=O)[O-])nc1)Cc1ccncc1 ZINC000603403626 360819136 /nfs/dbraw/zinc/81/91/36/360819136.db2.gz XKZACLYIMJTPDM-UHFFFAOYSA-N 0 3 315.377 2.343 20 5 DEBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@@H](O)C23CCCC3)c1 ZINC000292710108 223211909 /nfs/dbraw/zinc/21/19/09/223211909.db2.gz LJYWYMCEUBWNGH-HUUCEWRRSA-N 0 3 306.362 2.008 20 5 DEBDHN C[C@H](NC[C@H]1CNc2ccnn2C1)c1cccc([N+](=O)[O-])c1 ZINC000609406076 361309552 /nfs/dbraw/zinc/30/95/52/361309552.db2.gz IQIPSAWLCINWLP-RYUDHWBXSA-N 0 3 301.350 2.184 20 5 DEBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@H]2c2ccc(O)cc2)n1 ZINC000610484864 361405960 /nfs/dbraw/zinc/40/59/60/361405960.db2.gz UGHKVFGAEPALEV-AWEZNQCLSA-N 0 3 302.334 2.334 20 5 DEBDHN COc1ccc(CN(C)CCn2c(C)ncc2[N+](=O)[O-])cc1 ZINC000610782905 361466144 /nfs/dbraw/zinc/46/61/44/361466144.db2.gz XXHXXTOKDBYDLZ-UHFFFAOYSA-N 0 3 304.350 2.240 20 5 DEBDHN CCN(C[C@@H]1CCOC1)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000611205157 361548764 /nfs/dbraw/zinc/54/87/64/361548764.db2.gz KDGZTBYQIDLAGT-OLZOCXBDSA-N 0 3 321.377 2.280 20 5 DEBDHN CC(C)[C@H](NCCc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC1 ZINC000611395606 361590166 /nfs/dbraw/zinc/59/01/66/361590166.db2.gz QCEGYYGTFVMCQX-INIZCTEOSA-N 0 3 319.405 2.374 20 5 DEBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000275485759 212364411 /nfs/dbraw/zinc/36/44/11/212364411.db2.gz FHUSFJZDBOAEII-KBPBESRZSA-N 0 3 321.421 2.433 20 5 DEBDHN COC[C@H](N[C@H](C)Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000449292834 240319421 /nfs/dbraw/zinc/31/94/21/240319421.db2.gz RWPDPXJRNNLMHO-INWMFGNUSA-N 0 3 308.378 2.309 20 5 DEBDHN Cc1ccc(CN2CCC[C@H](Cn3ccnn3)C2)cc1[N+](=O)[O-] ZINC000092070018 193152745 /nfs/dbraw/zinc/15/27/45/193152745.db2.gz AAALGFCYCXZHCQ-HNNXBMFYSA-N 0 3 315.377 2.407 20 5 DEBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@H](O)C2CCC2)c1 ZINC000449738558 241013987 /nfs/dbraw/zinc/01/39/87/241013987.db2.gz CTJQOUGNVZMFGJ-LBPRGKRZSA-N 0 3 316.304 2.447 20 5 DEBDHN COc1ccc(-c2ccc(CN[C@H]3C[C@@H](O)C3)o2)c([N+](=O)[O-])c1 ZINC000449748985 241029423 /nfs/dbraw/zinc/02/94/23/241029423.db2.gz OASMFTNANDLYGF-PHIMTYICSA-N 0 3 318.329 2.476 20 5 DEBDHN O=[N+]([O-])c1ccc(CCN2CCC3(CC2)OCCCO3)cc1 ZINC000293058916 223376449 /nfs/dbraw/zinc/37/64/49/223376449.db2.gz SBVUSPOYNSCMSF-UHFFFAOYSA-N 0 3 306.362 2.366 20 5 DEBDHN CCN(C)CCNc1ncc([N+](=O)[O-])cc1Br ZINC000093434086 193250284 /nfs/dbraw/zinc/25/02/84/193250284.db2.gz ZQAUFGXJFPRKRK-UHFFFAOYSA-N 0 3 303.160 2.116 20 5 DEBDHN COc1ccc(OCCN(C)C[C@H]2CCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000159447851 197354631 /nfs/dbraw/zinc/35/46/31/197354631.db2.gz AOIUODIZXHSWCE-DOMZBBRYSA-N 0 3 324.377 2.075 20 5 DEBDHN O=C1CC[C@H](N[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CN1 ZINC000417313613 284811289 /nfs/dbraw/zinc/81/12/89/284811289.db2.gz POHBAGUEXLZGKX-WFASDCNBSA-N 0 3 303.362 2.231 20 5 DEBDHN CCOc1ccc([C@H](C)NC[C@@](C)(O)COC)cc1[N+](=O)[O-] ZINC000534328325 284838458 /nfs/dbraw/zinc/83/84/58/284838458.db2.gz YGQVOVWDRIAFLO-XHDPSFHLSA-N 0 3 312.366 2.042 20 5 DEBDHN COc1ccc([C@@H](O)CNCc2ccccc2[N+](=O)[O-])cc1 ZINC000065668068 184376842 /nfs/dbraw/zinc/37/68/42/184376842.db2.gz TZEMOVRYNGBCAP-INIZCTEOSA-N 0 3 302.330 2.427 20 5 DEBDHN CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC1CCOCC1 ZINC000156190571 197093767 /nfs/dbraw/zinc/09/37/67/197093767.db2.gz JAEHKMODSGRVBA-UHFFFAOYSA-N 0 3 322.361 2.320 20 5 DEBDHN Cc1c([C@H](C)N[C@@H](C)CN2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000155005551 197012376 /nfs/dbraw/zinc/01/23/76/197012376.db2.gz ZFVKZEUQHQJFDF-ZFWWWQNUSA-N 0 3 320.437 2.190 20 5 DEBDHN Cc1nccnc1CCN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294944028 224328297 /nfs/dbraw/zinc/32/82/97/224328297.db2.gz ICPTXTRKHGOHOV-JTQLQIEISA-N 0 3 301.350 2.169 20 5 DEBDHN CSCC[C@H](N)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000121821362 195355441 /nfs/dbraw/zinc/35/54/41/195355441.db2.gz MHACOWDETPZBHR-PWSUYJOCSA-N 0 3 311.407 2.161 20 5 DEBDHN CCc1nncn1CCN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000545264802 285411053 /nfs/dbraw/zinc/41/10/53/285411053.db2.gz SMWZLJGOZJBPSY-GFCCVEGCSA-N 0 3 303.366 2.408 20 5 DEBDHN COC(=O)COC[C@H](C)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000295894624 533551267 /nfs/dbraw/zinc/55/12/67/533551267.db2.gz YQJCQZPEOXXBFT-NWDGAFQWSA-N 0 3 310.350 2.132 20 5 DEBDHN C[C@@H]1C[C@@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CCN1C ZINC000340696301 132161220 /nfs/dbraw/zinc/16/12/20/132161220.db2.gz LGZXXOYEBRJONC-OLZOCXBDSA-N 0 3 319.405 2.471 20 5 DEBDHN COc1c(C(=O)NC[C@@H](CC(C)C)N(C)C)cccc1[N+](=O)[O-] ZINC000355982573 133058882 /nfs/dbraw/zinc/05/88/82/133058882.db2.gz IHFCBBDXBBUDIW-GFCCVEGCSA-N 0 3 323.393 2.310 20 5 DEBDHN CSC1(CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCC1 ZINC000564528565 292098261 /nfs/dbraw/zinc/09/82/61/292098261.db2.gz IJZUMNYAGRCNAY-UHFFFAOYSA-N 0 3 322.434 2.398 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](CCO)C(C)(C)C ZINC000355018490 146820510 /nfs/dbraw/zinc/82/05/10/146820510.db2.gz XHCIKYGNEJWFTA-CYBMUJFWSA-N 0 3 323.393 2.228 20 5 DEBDHN C[C@H]1CN(CCCCNc2ncc([N+](=O)[O-])s2)C[C@H](C)O1 ZINC000190334467 145040481 /nfs/dbraw/zinc/04/04/81/145040481.db2.gz VCWHWGWJHOFLRE-QWRGUYRKSA-N 0 3 314.411 2.353 20 5 DEBDHN CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1NCCc2ccccc21 ZINC000261642210 145213120 /nfs/dbraw/zinc/21/31/20/145213120.db2.gz DXYXYUZOBHZMIN-CQSZACIVSA-N 0 3 315.377 2.419 20 5 DEBDHN O=[N+]([O-])c1cnc(NC[C@H]2CCN(Cc3ccccc3)C2)nc1 ZINC000309909302 145350393 /nfs/dbraw/zinc/35/03/93/145350393.db2.gz RIDMENCDNMSJRI-CQSZACIVSA-N 0 3 313.361 2.319 20 5 DEBDHN Cc1cc(NCCCS(C)(=O)=O)c2cc([N+](=O)[O-])ccc2n1 ZINC000316944013 145364663 /nfs/dbraw/zinc/36/46/63/145364663.db2.gz BQSLZAORJBUFKG-UHFFFAOYSA-N 0 3 323.374 2.298 20 5 DEBDHN C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000346189307 146034387 /nfs/dbraw/zinc/03/43/87/146034387.db2.gz LXCCDBJWXGRBAX-ABAIWWIYSA-N 0 3 321.352 2.433 20 5 DEBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CN(C)C ZINC000346226280 146042390 /nfs/dbraw/zinc/04/23/90/146042390.db2.gz PJNMTRSAEXCLQL-JTQLQIEISA-N 0 3 311.407 2.387 20 5 DEBDHN CCCN(CCN(C)C)C(=O)c1c(OCC)cccc1[N+](=O)[O-] ZINC000348298283 146250810 /nfs/dbraw/zinc/25/08/10/146250810.db2.gz PRCCSFOFTHYAFG-UHFFFAOYSA-N 0 3 323.393 2.407 20 5 DEBDHN O=[N+]([O-])c1cccc(OCCN[C@@H](CO)c2cccc(F)c2)c1 ZINC000359522057 147343129 /nfs/dbraw/zinc/34/31/29/147343129.db2.gz PJUUHCFELCKRMX-INIZCTEOSA-N 0 3 320.320 2.436 20 5 DEBDHN O=[N+]([O-])c1ccc(OCCN[C@H](CO)c2cccc(F)c2)cc1 ZINC000359529919 147344703 /nfs/dbraw/zinc/34/47/03/147344703.db2.gz LMHQEDFGRZECDJ-MRXNPFEDSA-N 0 3 320.320 2.436 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000370287736 148003165 /nfs/dbraw/zinc/00/31/65/148003165.db2.gz JJRNKHZJRJWVHM-CABCVRRESA-N 0 3 303.362 2.146 20 5 DEBDHN CCN1CCC[C@H]1CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000007724446 401743386 /nfs/dbraw/zinc/74/33/86/401743386.db2.gz BHWAXYRFINRNSZ-NSHDSACASA-N 0 3 311.769 2.462 20 5 DEBDHN Cc1cc(C(=O)N(C)C[C@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000115437716 401828076 /nfs/dbraw/zinc/82/80/76/401828076.db2.gz MPEPDAZHNFTLKB-ZDUSSCGKSA-N 0 3 305.378 2.317 20 5 DEBDHN CCN1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000029606707 401857496 /nfs/dbraw/zinc/85/74/96/401857496.db2.gz OLBNSBZQIPTNBI-UHFFFAOYSA-N 0 3 311.769 2.462 20 5 DEBDHN Cc1c(NC(=O)N(C)CCN2CCCC2)cccc1[N+](=O)[O-] ZINC000118792953 401907857 /nfs/dbraw/zinc/90/78/57/401907857.db2.gz YZXFFMNBJHQRST-UHFFFAOYSA-N 0 3 306.366 2.463 20 5 DEBDHN CCN1CCC(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000038108360 401922528 /nfs/dbraw/zinc/92/25/28/401922528.db2.gz KAYWPHITJGVBHT-UHFFFAOYSA-N 0 3 311.769 2.462 20 5 DEBDHN C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1)N1CCC[C@H](C)C1 ZINC000046955104 401976475 /nfs/dbraw/zinc/97/64/75/401976475.db2.gz LTFPUBGGHDNTLP-STQMWFEESA-N 0 3 305.378 2.445 20 5 DEBDHN Cc1c([C@@H](C)NCCCN2CCOCC2)cccc1[N+](=O)[O-] ZINC000151193827 402022233 /nfs/dbraw/zinc/02/22/33/402022233.db2.gz RVBLYOKDUBNERF-CQSZACIVSA-N 0 3 307.394 2.276 20 5 DEBDHN CN(CC1CCN(C)CC1)C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000152449205 402095934 /nfs/dbraw/zinc/09/59/34/402095934.db2.gz YSHPVPCEHDDATH-UHFFFAOYSA-N 0 3 323.368 2.077 20 5 DEBDHN O=[N+]([O-])c1ccc(OCCN2CC[C@H]3OCCC[C@@H]3C2)cc1 ZINC000153069559 402125452 /nfs/dbraw/zinc/12/54/52/402125452.db2.gz VOYFUPAEGGGZLE-CZUORRHYSA-N 0 3 306.362 2.475 20 5 DEBDHN CN(CCC1CCOCC1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154444334 402213221 /nfs/dbraw/zinc/21/32/21/402213221.db2.gz ZXHAIIAGTXNUNY-MRXNPFEDSA-N 0 3 308.378 2.377 20 5 DEBDHN CC[C@H](N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000248641873 402600473 /nfs/dbraw/zinc/60/04/73/402600473.db2.gz ZNUAFOYGWKCYAA-XUJVJEKNSA-N 0 3 321.377 2.469 20 5 DEBDHN CCc1ccc(C(=O)NC[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000174208986 402731654 /nfs/dbraw/zinc/73/16/54/402731654.db2.gz CSZSQIVSDXYMSV-LBPRGKRZSA-N 0 3 305.378 2.229 20 5 DEBDHN C[C@@H](NC(=O)[C@H](N)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000193896157 402777510 /nfs/dbraw/zinc/77/75/10/402777510.db2.gz RNUZAQTZTRCGFE-MLGOLLRUSA-N 0 3 313.357 2.342 20 5 DEBDHN CC[C@@H]1CCCCN1CCNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000184405116 402841649 /nfs/dbraw/zinc/84/16/49/402841649.db2.gz IUNRFMRRZZMYQC-GFCCVEGCSA-N 0 3 320.393 2.171 20 5 DEBDHN COCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000271298869 402854721 /nfs/dbraw/zinc/85/47/21/402854721.db2.gz JTZXPRWNQVZOMY-GFCCVEGCSA-N 0 3 316.361 2.276 20 5 DEBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN(CCO)C3CC3)o2)c1 ZINC000264197324 402856507 /nfs/dbraw/zinc/85/65/07/402856507.db2.gz OPOWUNGVGYMQNF-UHFFFAOYSA-N 0 3 317.345 2.249 20 5 DEBDHN CC1(C)C[C@@H](NC[C@]2(O)CCOC2)c2cc([N+](=O)[O-])ccc21 ZINC000278597160 402868700 /nfs/dbraw/zinc/86/87/00/402868700.db2.gz AIYJGIBOAWYTGZ-GDBMZVCRSA-N 0 3 306.362 2.058 20 5 DEBDHN CN(C)C/C=C/C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272541665 402950704 /nfs/dbraw/zinc/95/07/04/402950704.db2.gz VIMGBDUQJWDYJB-ONEGZZNKSA-N 0 3 311.769 2.025 20 5 DEBDHN CN1CC[C@@H]2CCN(C(=O)CCc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000272562807 402953452 /nfs/dbraw/zinc/95/34/52/402953452.db2.gz ULGFHNGZPFASRH-GDBMZVCRSA-N 0 3 317.389 2.080 20 5 DEBDHN Cc1cccc(C(=O)N[C@H](C)C2=CCN(C)CC2)c1[N+](=O)[O-] ZINC000273057667 402966724 /nfs/dbraw/zinc/96/67/24/402966724.db2.gz YCVXAQBFNPCEIQ-GFCCVEGCSA-N 0 3 303.362 2.283 20 5 DEBDHN C[C@H]1CCC[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273487900 403009142 /nfs/dbraw/zinc/00/91/42/403009142.db2.gz WCGJMERMZGDVHE-SMDDNHRTSA-N 0 3 312.391 2.147 20 5 DEBDHN CN(CCNc1c([N+](=O)[O-])ncn1C)Cc1ccc(F)cc1 ZINC000267171455 403021947 /nfs/dbraw/zinc/02/19/47/403021947.db2.gz IDOVDZLDJGGYKX-UHFFFAOYSA-N 0 3 307.329 2.011 20 5 DEBDHN C[C@@H](CCN1CCN(C)CC1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000274415107 403053272 /nfs/dbraw/zinc/05/32/72/403053272.db2.gz AYBDYMWDCAWUEB-LBPRGKRZSA-N 0 3 310.373 2.172 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000268207624 403061686 /nfs/dbraw/zinc/06/16/86/403061686.db2.gz KBHIWVMPCOEELX-NHYWBVRUSA-N 0 3 303.362 2.116 20 5 DEBDHN CCOc1ccc([C@H](C)N[C@H](CO)CCOC)cc1[N+](=O)[O-] ZINC000281778152 403090693 /nfs/dbraw/zinc/09/06/93/403090693.db2.gz XCRZWNGGWDOIBV-AAEUAGOBSA-N 0 3 312.366 2.042 20 5 DEBDHN CCOc1ccc([C@@H](C)N[C@@H](CO)CCOC)cc1[N+](=O)[O-] ZINC000281778154 403090757 /nfs/dbraw/zinc/09/07/57/403090757.db2.gz XCRZWNGGWDOIBV-DGCLKSJQSA-N 0 3 312.366 2.042 20 5 DEBDHN COc1ccc(OCCN2CC[C@@H](OC)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000282228054 403134567 /nfs/dbraw/zinc/13/45/67/403134567.db2.gz FKHLUKNDWWNSKF-TZMCWYRMSA-N 0 3 324.377 2.482 20 5 DEBDHN COCC[C@H](CO)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000282280567 403139251 /nfs/dbraw/zinc/13/92/51/403139251.db2.gz QJAFIDLFLBJMNT-CYBMUJFWSA-N 0 3 320.345 2.342 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000277547722 403229683 /nfs/dbraw/zinc/22/96/83/403229683.db2.gz IMPKBXQXJVBQMX-LBPRGKRZSA-N 0 3 321.377 2.017 20 5 DEBDHN Cc1cc(NCCCN2CCCO[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000277975070 403276264 /nfs/dbraw/zinc/27/62/64/403276264.db2.gz JWNUBFKLZITTMB-CYBMUJFWSA-N 0 3 308.382 2.211 20 5 DEBDHN COc1cc(CNC[C@@H]2CCOC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000285569933 403330587 /nfs/dbraw/zinc/33/05/87/403330587.db2.gz SKACGSKNGDZUKM-RYUDHWBXSA-N 0 3 324.377 2.374 20 5 DEBDHN Cc1c(C(=O)N2CC[C@]3(CCN(C)C3)C2)cccc1[N+](=O)[O-] ZINC000292265973 403338294 /nfs/dbraw/zinc/33/82/94/403338294.db2.gz PWMNGTIFNDDSFM-INIZCTEOSA-N 0 3 303.362 2.071 20 5 DEBDHN CCOC[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000286007160 403429582 /nfs/dbraw/zinc/42/95/82/403429582.db2.gz GPVUMDJMTCZXNM-CYBMUJFWSA-N 0 3 309.366 2.184 20 5 DEBDHN O=[N+]([O-])c1ccc(CN[C@H](C2CC2)[C@@]2(CO)CCCO2)cc1 ZINC000339764432 403442247 /nfs/dbraw/zinc/44/22/47/403442247.db2.gz GEOSBLZHBUSVOY-CVEARBPZSA-N 0 3 306.362 2.005 20 5 DEBDHN CC[C@H](NC(=O)[C@@H](N)CC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000345752880 403468799 /nfs/dbraw/zinc/46/87/99/403468799.db2.gz UBQYWORITKAJFX-QWRGUYRKSA-N 0 3 301.293 2.145 20 5 DEBDHN C[C@@H](NC(=O)N1CCCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000298908404 403483742 /nfs/dbraw/zinc/48/37/42/403483742.db2.gz CUDYFSLOWUCWHA-GFCCVEGCSA-N 0 3 306.366 2.003 20 5 DEBDHN C[C@@H]1CC[C@H](C)N1CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000332166658 403503412 /nfs/dbraw/zinc/50/34/12/403503412.db2.gz OQKRMKNWMFLDQG-BETUJISGSA-N 0 3 317.389 2.352 20 5 DEBDHN CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000286342130 403504161 /nfs/dbraw/zinc/50/41/61/403504161.db2.gz BAQCRBNFTAOXQI-UHFFFAOYSA-N 0 3 320.349 2.110 20 5 DEBDHN CN(CCC[N@@H+](C)Cc1ccco1)C(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000286342130 403504164 /nfs/dbraw/zinc/50/41/64/403504164.db2.gz BAQCRBNFTAOXQI-UHFFFAOYSA-N 0 3 320.349 2.110 20 5 DEBDHN CN(CCCN(C)C(=O)c1ccc([N+](=O)[O-])[nH]1)Cc1ccco1 ZINC000286342130 403504169 /nfs/dbraw/zinc/50/41/69/403504169.db2.gz BAQCRBNFTAOXQI-UHFFFAOYSA-N 0 3 320.349 2.110 20 5 DEBDHN C[C@H]1C[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCN1C ZINC000332221376 403519104 /nfs/dbraw/zinc/51/91/04/403519104.db2.gz ARMUQRUKISKHGW-WDEREUQCSA-N 0 3 316.361 2.289 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000293854671 403581871 /nfs/dbraw/zinc/58/18/71/403581871.db2.gz JYKBQQMGKOWCAW-MRXNPFEDSA-N 0 3 303.362 2.071 20 5 DEBDHN CC1(C)C[C@H](NC[C@@H]2CC[C@@H](CO)O2)c2cc([N+](=O)[O-])ccc21 ZINC000340409506 403607555 /nfs/dbraw/zinc/60/75/55/403607555.db2.gz BVTQHAVQDDADBY-XEZPLFJOSA-N 0 3 320.389 2.447 20 5 DEBDHN CC(C)CN(CCN(C)C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000340525386 403636452 /nfs/dbraw/zinc/63/64/52/403636452.db2.gz ITSJDNIQWIRCHZ-UHFFFAOYSA-N 0 3 311.357 2.394 20 5 DEBDHN C[C@@H]1CN(CCCCNc2ncccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000301537240 403644422 /nfs/dbraw/zinc/64/44/22/403644422.db2.gz AVRIXSDCPHIKDR-CHWSQXEVSA-N 0 3 308.382 2.291 20 5 DEBDHN CN(CCN1CCCC1)c1ncnc2cccc([N+](=O)[O-])c21 ZINC000347421316 403703814 /nfs/dbraw/zinc/70/38/14/403703814.db2.gz YJXTYEFAKTYDQY-UHFFFAOYSA-N 0 3 301.350 2.070 20 5 DEBDHN Cc1cc(Cl)c(C(=O)NC2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000295255304 403814216 /nfs/dbraw/zinc/81/42/16/403814216.db2.gz UOBNCPNEKHYSNL-UHFFFAOYSA-N 0 3 311.769 2.381 20 5 DEBDHN CN(C[C@H](O)CN(Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000351699990 403860670 /nfs/dbraw/zinc/86/06/70/403860670.db2.gz OPDXVVLAHIRRCG-INIZCTEOSA-N 0 3 319.405 2.014 20 5 DEBDHN CC(C)N1CCC[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000347978909 403991008 /nfs/dbraw/zinc/99/10/08/403991008.db2.gz LWSWCMFPYLSAJA-CQSZACIVSA-N 0 3 305.378 2.126 20 5 DEBDHN C[C@H](NCCCCS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000341579792 404048456 /nfs/dbraw/zinc/04/84/56/404048456.db2.gz AHUJXPCWYVTQBX-NSHDSACASA-N 0 3 300.380 2.070 20 5 DEBDHN CC(C)Oc1cc(C(=O)N[C@@H](C)CN(C)C)ccc1[N+](=O)[O-] ZINC000412347663 404258992 /nfs/dbraw/zinc/25/89/92/404258992.db2.gz OSAISZBPYZEGIJ-NSHDSACASA-N 0 3 309.366 2.062 20 5 DEBDHN CCN(C)C(=O)[C@@H](NCCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000296465403 404263111 /nfs/dbraw/zinc/26/31/11/404263111.db2.gz XLNKXMQDQDGELR-HNNXBMFYSA-N 0 3 307.394 2.230 20 5 DEBDHN C[C@H](NC[C@@H](O)COCC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000296531184 404292926 /nfs/dbraw/zinc/29/29/26/404292926.db2.gz DDVJEWICJMRBBE-JOYOIKCWSA-N 0 3 322.283 2.185 20 5 DEBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000344647341 404282880 /nfs/dbraw/zinc/28/28/80/404282880.db2.gz RPCMWNQSHBQNKF-CQSZACIVSA-N 0 3 305.378 2.445 20 5 DEBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@H](Oc3ccccc3)C2)n1 ZINC000370031337 404309474 /nfs/dbraw/zinc/30/94/74/404309474.db2.gz ZXHPZCSNHCVKEB-HNNXBMFYSA-N 0 3 316.361 2.335 20 5 DEBDHN C[C@H](N[C@H]1CCC[C@]1(C)CO)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000351520810 404623352 /nfs/dbraw/zinc/62/33/52/404623352.db2.gz YNMPZBWZVTYIBB-HZUKXOBISA-N 0 3 321.377 2.063 20 5 DEBDHN Cc1cc(NC(=O)NC[C@H]2NC(C)(C)O[C@H]2C)ccc1[N+](=O)[O-] ZINC000415419504 404860400 /nfs/dbraw/zinc/86/04/00/404860400.db2.gz QLELPERNRUBULQ-CMPLNLGQSA-N 0 3 322.365 2.138 20 5 DEBDHN Cc1ccc(NC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000378491730 404981229 /nfs/dbraw/zinc/98/12/29/404981229.db2.gz GMAZOBVPZOTACS-DOMZBBRYSA-N 0 3 318.377 2.461 20 5 DEBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(N(C)C)CC1 ZINC000416286908 405086797 /nfs/dbraw/zinc/08/67/97/405086797.db2.gz BXSWCBYBYAPOIW-LLVKDONJSA-N 0 3 323.418 2.286 20 5 DEBDHN COc1ccc(CN[C@H](C)C2(OC)CCOCC2)cc1[N+](=O)[O-] ZINC000453072172 405281470 /nfs/dbraw/zinc/28/14/70/405281470.db2.gz AFFRWIRTTBVCRA-GFCCVEGCSA-N 0 3 324.377 2.277 20 5 DEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N(C)C1CCN(CCO)CC1 ZINC000441318262 405334728 /nfs/dbraw/zinc/33/47/28/405334728.db2.gz OOHUHLIJKHXXSO-CYBMUJFWSA-N 0 3 307.394 2.044 20 5 DEBDHN CN1CC[C@@]2(CCN(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)C2)C1 ZINC000455332502 405397979 /nfs/dbraw/zinc/39/79/79/405397979.db2.gz LVGGMACQNGIRNM-OAHLLOKOSA-N 0 3 322.340 2.293 20 5 DEBDHN CN(C(=O)CN1CC[C@@H]2CCC[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000426461743 405361961 /nfs/dbraw/zinc/36/19/61/405361961.db2.gz TUFFXRMHNYURLJ-WFASDCNBSA-N 0 3 303.362 2.432 20 5 DEBDHN Cc1ccc([C@H](C)NC(=O)NC[C@H](C)N(C)C)cc1[N+](=O)[O-] ZINC000454594956 405369191 /nfs/dbraw/zinc/36/91/91/405369191.db2.gz CWWOSINCXIJTQY-RYUDHWBXSA-N 0 3 308.382 2.214 20 5 DEBDHN Cc1c(NC(=O)N(C)C[C@H]2CCCN2C)cccc1[N+](=O)[O-] ZINC000421033767 405437684 /nfs/dbraw/zinc/43/76/84/405437684.db2.gz AZUSFFPPYIOCEC-GFCCVEGCSA-N 0 3 306.366 2.461 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1CN[C@@H](C)C1(OC)CCOCC1 ZINC000421042840 405439267 /nfs/dbraw/zinc/43/92/67/405439267.db2.gz ZRSAZCGHNSXSNG-LBPRGKRZSA-N 0 3 324.377 2.277 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)C[C@@H]1CCCN1C ZINC000421087496 405445786 /nfs/dbraw/zinc/44/57/86/405445786.db2.gz BZJKLQGABVVJPH-ZDUSSCGKSA-N 0 3 306.366 2.461 20 5 DEBDHN CN(C[C@H]1CCCN1C)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000421713595 405608288 /nfs/dbraw/zinc/60/82/88/405608288.db2.gz SYSKYQHPYJUCJS-CYBMUJFWSA-N 0 3 319.405 2.425 20 5 DEBDHN CN(C)CC(C)(C)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000457200154 405748338 /nfs/dbraw/zinc/74/83/38/405748338.db2.gz DTIDAWYSHCFXSM-UHFFFAOYSA-N 0 3 304.350 2.146 20 5 DEBDHN CN(C)CC(C)(C)NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000459537765 405945726 /nfs/dbraw/zinc/94/57/26/405945726.db2.gz NAFKUIPTXSBVRN-UHFFFAOYSA-N 0 3 319.365 2.075 20 5 DEBDHN COCCN1CC[C@@H](N[C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000532513209 406081897 /nfs/dbraw/zinc/08/18/97/406081897.db2.gz TZGTVYKQWPZKJV-UONOGXRCSA-N 0 3 307.394 2.275 20 5 DEBDHN COCCCN(C)CCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000515432447 406069359 /nfs/dbraw/zinc/06/93/59/406069359.db2.gz DFJYTWLWUOULMI-HNNXBMFYSA-N 0 3 307.394 2.140 20 5 DEBDHN CN1CCC[C@@H](CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000536516069 406261279 /nfs/dbraw/zinc/26/12/79/406261279.db2.gz STYLCSRGFWNEJM-NSHDSACASA-N 0 3 316.361 2.148 20 5 DEBDHN CC(C)[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])CCN1C ZINC000487984066 406282125 /nfs/dbraw/zinc/28/21/25/406282125.db2.gz ADIOLNFAPMTGKX-HNNXBMFYSA-N 0 3 307.394 2.246 20 5 DEBDHN Cc1cc(N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000488711252 406339572 /nfs/dbraw/zinc/33/95/72/406339572.db2.gz HMLOYISLUXJHRF-SGMGOOAPSA-N 0 3 304.394 2.465 20 5 DEBDHN C[C@H](CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)N(C)C1CC1 ZINC000570376742 406384767 /nfs/dbraw/zinc/38/47/67/406384767.db2.gz NDPPDUDPPKLPTM-VXGBXAGGSA-N 0 3 305.378 2.297 20 5 DEBDHN CN(C)C[C@H]1CCCN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000491465620 406599179 /nfs/dbraw/zinc/59/91/79/406599179.db2.gz RXWSDWHLGMYFTG-ATWMFIQVSA-N 0 3 303.362 2.161 20 5 DEBDHN CN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C2CC2)C1 ZINC000491686869 406669304 /nfs/dbraw/zinc/66/93/04/406669304.db2.gz SZLAPZQJKWBZNM-UFNQUYMESA-N 0 3 315.373 2.303 20 5 DEBDHN C[C@@H]1CCN(C)CCN1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000491891012 406765947 /nfs/dbraw/zinc/76/59/47/406765947.db2.gz YJZXUEIEBMVFCD-FMFIFOJESA-N 0 3 303.362 2.161 20 5 DEBDHN CN(C(=O)/C=C\c1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C2CC2)C1 ZINC000491794073 406723567 /nfs/dbraw/zinc/72/35/67/406723567.db2.gz JFEHZRSYKNWFRP-KQQSKNTNSA-N 0 3 315.373 2.303 20 5 DEBDHN C[C@H](N[C@H]1CCCN(CCCO)C1)c1cccc([N+](=O)[O-])c1 ZINC000297440040 227168641 /nfs/dbraw/zinc/16/86/41/227168641.db2.gz WBZRNBGGTRUSSB-ZFWWWQNUSA-N 0 3 307.394 2.092 20 5 DEBDHN CC(C)Oc1nc(N[C@H]2CCN(C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000596337043 425024046 /nfs/dbraw/zinc/02/40/46/425024046.db2.gz SVEZIZOBPRLLRA-LBPRGKRZSA-N 0 3 322.409 3.062 20 5 DEBDHN O=[N+]([O-])c1cnc(NCCN2CCC3(CCCCC3)CC2)nc1 ZINC000440680074 425041552 /nfs/dbraw/zinc/04/15/52/425041552.db2.gz QVHRXFFIJVTKMJ-UHFFFAOYSA-N 0 3 319.409 2.843 20 5 DEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC2(CC2)CC1 ZINC000363670982 269067747 /nfs/dbraw/zinc/06/77/47/269067747.db2.gz KPXMTLMMNHGWAN-ZDUSSCGKSA-N 0 3 306.362 2.211 20 5 DEBDHN C[C@H]1CCN(CCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000524719639 269476237 /nfs/dbraw/zinc/47/62/37/269476237.db2.gz FEVRUWVYIAWTDN-JTQLQIEISA-N 0 3 311.769 2.320 20 5 DEBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000374308721 274364342 /nfs/dbraw/zinc/36/43/42/274364342.db2.gz HHBJCTMXPYWXLL-PBHICJAKSA-N 0 3 318.421 2.057 20 5 DEBDHN CNC(=O)[C@@H]1CCC[C@@H]1N[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000358267454 277008635 /nfs/dbraw/zinc/00/86/35/277008635.db2.gz PXWPCBGYEHISNZ-KYOSRNDESA-N 0 3 305.378 2.469 20 5 DEBDHN C[C@@H](N[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294544992 277632186 /nfs/dbraw/zinc/63/21/86/277632186.db2.gz ANDJYNVGWRAPNQ-PWSUYJOCSA-N 0 3 320.393 2.227 20 5 DEBDHN CS[C@@H]1CN(c2cc(N)ccc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000282132087 278156538 /nfs/dbraw/zinc/15/65/38/278156538.db2.gz CQECIMLAGRQBNK-LSDHHAIUSA-N 0 3 322.434 2.193 20 5 DEBDHN C[C@@H]1CN(CCN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000574956304 326203917 /nfs/dbraw/zinc/20/39/17/326203917.db2.gz FFKLBEVOHCCUOO-DYVFJYSZSA-N 0 3 319.405 2.283 20 5 DEBDHN COC[C@@](C)(O)CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000583240867 337284688 /nfs/dbraw/zinc/28/46/88/337284688.db2.gz SUSNPCAXYQNQCL-HOCLYGCPSA-N 0 3 308.378 2.304 20 5 DEBDHN COCCn1cc(CNC/C=C\c2ccccc2[N+](=O)[O-])cn1 ZINC000337298405 522093117 /nfs/dbraw/zinc/09/31/17/522093117.db2.gz OXWFCBNSUWPEMA-XQRVVYSFSA-N 0 3 316.361 2.241 20 5 DEBDHN O=[N+]([O-])c1ccc(OCCN2CCOCC3(CCC3)C2)cc1 ZINC000363885191 527373202 /nfs/dbraw/zinc/37/32/02/527373202.db2.gz HWYZYUVXTORZDA-UHFFFAOYSA-N 0 3 306.362 2.476 20 5 DEBDHN CCC[C@H](NCCN1CCC(O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000295826582 528219824 /nfs/dbraw/zinc/21/98/24/528219824.db2.gz CFURGVKBSZTRCB-KRWDZBQOSA-N 0 3 321.421 2.482 20 5 DEBDHN CCN1CCC(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000299525974 528984440 /nfs/dbraw/zinc/98/44/40/528984440.db2.gz KNELHNRPXCGIAD-UHFFFAOYSA-N 0 3 316.361 2.290 20 5 DEBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000493240763 536472098 /nfs/dbraw/zinc/47/20/98/536472098.db2.gz XBFMEQFZKXRXHM-XHDPSFHLSA-N 0 3 321.352 2.290 20 5 DEBDHN CO[C@H]1C[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1(C)C ZINC000451510740 536803822 /nfs/dbraw/zinc/80/38/22/536803822.db2.gz VPPAOGGXVNOCMK-OLZOCXBDSA-N 0 3 304.350 2.374 20 5 DEBDHN CC(COC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)[N+](=O)[O-] ZINC000813100937 623292176 /nfs/dbraw/zinc/29/21/76/623292176.db2.gz YSCKFZRZMYQWAC-SFYZADRCSA-N 0 3 300.242 2.046 20 5 DEBDHN CC(COC(=O)c1cn2cc(Cl)cc(Cl)c2n1)[N+](=O)[O-] ZINC000813114866 623403172 /nfs/dbraw/zinc/40/31/72/623403172.db2.gz HYAPNMIRPRWYRL-LURJTMIESA-N 0 3 318.116 2.463 20 5 DEBDHN O=C(N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1)C1=CCCC1 ZINC001021961653 624147234 /nfs/dbraw/zinc/14/72/34/624147234.db2.gz VEEYSKCVPOASCU-GASCZTMLSA-N 0 3 315.373 2.442 20 5 DEBDHN COc1c([O-])ccc(C[NH2+][C@H]2CCO[C@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000893620469 635154312 /nfs/dbraw/zinc/15/43/12/635154312.db2.gz JTKOJCYWIRHNKG-JSGCOSHPSA-N 0 3 322.361 2.356 20 5 DEBDHN COc1cc(C[NH2+]C[C@]23CCC[C@H]2OCC3)c([N+](=O)[O-])cc1[O-] ZINC000922699626 636334145 /nfs/dbraw/zinc/33/41/45/636334145.db2.gz YKCDAXUEXSRJNC-HZPDHXFCSA-N 0 3 322.361 2.358 20 5 DEBDHN CC[C@H](C)N1CCN(Cc2ccc(O)c(OC)c2[N+](=O)[O-])CC1 ZINC000894755141 637196074 /nfs/dbraw/zinc/19/60/74/637196074.db2.gz NAHOPUFVCNHRSH-LBPRGKRZSA-N 0 3 323.393 2.225 20 5 DEBDHN CCO[C@@H]1CCC[C@H]1NCc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894781346 637208357 /nfs/dbraw/zinc/20/83/57/637208357.db2.gz BBLSNMJMCMOSKF-DGCLKSJQSA-N 0 3 310.350 2.356 20 5 DEBDHN C[C@H](C(=O)N[C@H]1CCN(C)[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000928443057 637245031 /nfs/dbraw/zinc/24/50/31/637245031.db2.gz XMZUJJPQQAGACH-RBZYPMLTSA-N 0 3 309.341 2.046 20 5 DEBDHN COc1c([O-])ccc(C[NH2+]CC[C@H]2CC2(F)F)c1[N+](=O)[O-] ZINC000895513631 638064498 /nfs/dbraw/zinc/06/44/98/638064498.db2.gz PSTMLYNQVQSKNO-VIFPVBQESA-N 0 3 302.277 2.444 20 5 DEBDHN O=[N+]([O-])c1cccc([C@H](O)CNCc2ccc(Cl)nc2)c1 ZINC000749673372 638669380 /nfs/dbraw/zinc/66/93/80/638669380.db2.gz DXFVWBYPZNBXJI-CYBMUJFWSA-N 0 3 307.737 2.466 20 5 DEBDHN O=[N+]([O-])c1ccc2c(cnn2CN2CC[C@H]([C@H]3CCOC3)C2)c1 ZINC000749800623 638683277 /nfs/dbraw/zinc/68/32/77/638683277.db2.gz RZLOJBWECFRSGY-STQMWFEESA-N 0 3 316.361 2.260 20 5 DEBDHN C[C@H](CNC(=O)N1CCCN(C)CC1)c1ccccc1[N+](=O)[O-] ZINC000897077850 639161370 /nfs/dbraw/zinc/16/13/70/639161370.db2.gz KQDGWMVQGQACDO-CYBMUJFWSA-N 0 3 320.393 2.045 20 5 DEBDHN CCN1CCCN(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000925235518 639728709 /nfs/dbraw/zinc/72/87/09/639728709.db2.gz HRQVWFXLBAZRRD-CYBMUJFWSA-N 0 3 320.393 2.393 20 5 DEBDHN Cc1cc(F)cc(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000758598421 639977348 /nfs/dbraw/zinc/97/73/48/639977348.db2.gz XZTDTSZTNBMWSO-IINYFYTJSA-N 0 3 321.352 2.255 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H](O)c1cnn(C)c1 ZINC000766183727 640855886 /nfs/dbraw/zinc/85/58/86/640855886.db2.gz KOUKPHZFXWTMTC-XHDPSFHLSA-N 0 3 304.350 2.021 20 5 DEBDHN CCOc1ccc([C@@H](C)NCC[S@](=O)CC)cc1[N+](=O)[O-] ZINC000768103394 641051259 /nfs/dbraw/zinc/05/12/59/641051259.db2.gz FAGRPPZEUFQQNW-WSVYEEACSA-N 0 3 314.407 2.413 20 5 DEBDHN CN(CC(=O)OCCN1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000770392441 641363954 /nfs/dbraw/zinc/36/39/54/641363954.db2.gz RPSZUZZJZBSKEW-UHFFFAOYSA-N 0 3 321.377 2.060 20 5 DEBDHN CN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](CO)c1ccccc1 ZINC000776582934 642188167 /nfs/dbraw/zinc/18/81/67/642188167.db2.gz WVHPPMPZBWOFSB-IAGOWNOFSA-N 0 3 316.357 2.294 20 5 DEBDHN O=[N+]([O-])c1ccc([C@@H](O)CN[C@@H](CO)c2cccc(F)c2)cc1 ZINC000782060363 642819192 /nfs/dbraw/zinc/81/91/92/642819192.db2.gz CVKVQACXRFTCLY-HOTGVXAUSA-N 0 3 320.320 2.091 20 5 DEBDHN C[C@@H]1CCCN1CCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783918043 643068117 /nfs/dbraw/zinc/06/81/17/643068117.db2.gz CLUIUSGQXCIDDT-SNVBAGLBSA-N 0 3 311.769 2.462 20 5 DEBDHN C[C@@H]1NCCn2c(-c3nc(CCC(C)(C)[N+](=O)[O-])no3)ccc21 ZINC000904721834 643718680 /nfs/dbraw/zinc/71/86/80/643718680.db2.gz NIOVUBXRXGCGMR-JTQLQIEISA-N 0 3 319.365 2.190 20 5 DEBDHN C[C@@H](NC(=O)NCCN1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000905142294 643809977 /nfs/dbraw/zinc/80/99/77/643809977.db2.gz FTYIIJFLGJIXLS-CYBMUJFWSA-N 0 3 320.393 2.441 20 5 DEBDHN O=[N+]([O-])c1ncccc1COc1ccc2c(c1)OCCNC2 ZINC000905612477 643979533 /nfs/dbraw/zinc/97/95/33/643979533.db2.gz DNUOYITWIBYYCW-UHFFFAOYSA-N 0 3 301.302 2.051 20 5 DEBDHN CC(C)(C(=O)NCc1ccc([N+](=O)[O-])cc1)N1CCCCC1 ZINC000906342132 644217579 /nfs/dbraw/zinc/21/75/79/644217579.db2.gz SELLKVJBCNHSFD-UHFFFAOYSA-N 0 3 305.378 2.476 20 5 DEBDHN COC(=O)C[C@@H](NCc1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000797521661 644892337 /nfs/dbraw/zinc/89/23/37/644892337.db2.gz YORKLRTVPHANNH-CYBMUJFWSA-N 0 3 308.334 2.035 20 5 DEBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000843790548 651030053 /nfs/dbraw/zinc/03/00/53/651030053.db2.gz GAKSGCRWSBRNII-LBPRGKRZSA-N 0 3 321.352 2.256 20 5 DEBDHN COc1ccc(-n2nc(C(=O)OCC(C)[N+](=O)[O-])cc2C)cc1 ZINC000813100320 646727906 /nfs/dbraw/zinc/72/79/06/646727906.db2.gz QMUQIWWKIULVSS-NSHDSACASA-N 0 3 319.317 2.011 20 5 DEBDHN CC(COC(=O)c1cccc(OCc2cccnc2)c1)[N+](=O)[O-] ZINC000813102248 646728739 /nfs/dbraw/zinc/72/87/39/646728739.db2.gz CLRVPQGXXBTQKK-LBPRGKRZSA-N 0 3 316.313 2.483 20 5 DEBDHN CCc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1Cc1ccccc1 ZINC000813105501 646729779 /nfs/dbraw/zinc/72/97/79/646729779.db2.gz NHUUKXYQDUVKEY-LBPRGKRZSA-N 0 3 317.345 2.316 20 5 DEBDHN COc1ccc(C(=O)C[C@@H](C)C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813104854 646729884 /nfs/dbraw/zinc/72/98/84/646729884.db2.gz SKGLTIVOHOBHPL-GHMZBOCLSA-N 0 3 309.318 2.113 20 5 DEBDHN CC(COC(=O)COc1cccc(Br)c1)[N+](=O)[O-] ZINC000813110960 646731416 /nfs/dbraw/zinc/73/14/16/646731416.db2.gz MYWQUMAUNQXGDV-MRVPVSSYSA-N 0 3 318.123 2.036 20 5 DEBDHN CC(=O)CCc1ccc(O[C@H](C)C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813111362 646731567 /nfs/dbraw/zinc/73/15/67/646731567.db2.gz RYGGAVRYRFDVAF-WCQYABFASA-N 0 3 323.345 2.184 20 5 DEBDHN O=[N+]([O-])c1ccc(CN[C@H](C2CC2)[C@@]2(CO)CCCO2)cc1F ZINC000815289108 646998156 /nfs/dbraw/zinc/99/81/56/646998156.db2.gz DGCUAWCWVZVQAF-CVEARBPZSA-N 0 3 324.352 2.144 20 5 DEBDHN Cc1cc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)cc(C)n1 ZINC000819377055 647647377 /nfs/dbraw/zinc/64/73/77/647647377.db2.gz JEKZNWMYCTYJDI-INIZCTEOSA-N 0 3 301.346 2.430 20 5 DEBDHN CO[C@@H](CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000822570203 648234517 /nfs/dbraw/zinc/23/45/17/648234517.db2.gz HQTKFHKALNISFO-INIZCTEOSA-N 0 3 305.378 2.142 20 5 DEBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN[C@H](C(C)C)C1 ZINC000826762740 648922837 /nfs/dbraw/zinc/92/28/37/648922837.db2.gz KTCMPVWHIFXBCS-ZDUSSCGKSA-N 0 3 323.418 2.387 20 5 DEBDHN CC(C)(C)N1CC[C@H]1COC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000845738374 651276383 /nfs/dbraw/zinc/27/63/83/651276383.db2.gz MMQIRZLJTBQJGW-ZDUSSCGKSA-N 0 3 322.361 2.390 20 5 DEBDHN Cc1n[nH]cc1C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845882060 651291987 /nfs/dbraw/zinc/29/19/87/651291987.db2.gz NURUJTPFUMTWFR-RNCFNFMXSA-N 0 3 307.281 2.421 20 5 DEBDHN CN(C[C@@H]1CCCOC1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000107670866 651467497 /nfs/dbraw/zinc/46/74/97/651467497.db2.gz REAXDQIXDDGRQH-LBPRGKRZSA-N 0 3 304.350 2.260 20 5 DEBDHN Cn1c(Cl)ncc1CNCCOc1ccc([N+](=O)[O-])cc1 ZINC000848535729 651468550 /nfs/dbraw/zinc/46/85/50/651468550.db2.gz JNGAJFPSIRVJJE-UHFFFAOYSA-N 0 3 310.741 2.150 20 5 DEBDHN CCN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CCN(C)C1 ZINC000855360812 651682699 /nfs/dbraw/zinc/68/26/99/651682699.db2.gz OQYDKXDYLSCXHS-NSHDSACASA-N 0 3 311.769 2.414 20 5 DEBDHN CO[C@H](CNCc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000850342454 651903588 /nfs/dbraw/zinc/90/35/88/651903588.db2.gz JTYIXKDJNXLEGJ-IINYFYTJSA-N 0 3 314.769 2.389 20 5 DEBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])c(C)n1[C@@H]1CCCOC1 ZINC000860777801 685960129 /nfs/dbraw/zinc/96/01/29/685960129.db2.gz WLSOYTWIRYHVAA-DGCLKSJQSA-N 0 3 310.350 2.278 20 5 DEBDHN CC(C)N1CCC[C@H]1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000930073813 694084246 /nfs/dbraw/zinc/08/42/46/694084246.db2.gz DJRJTXQTKFNAPY-HNNXBMFYSA-N 0 3 305.378 2.426 20 5 DEBDHN C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H](C)C(=O)N1CCCC1 ZINC000866353044 687545843 /nfs/dbraw/zinc/54/58/43/687545843.db2.gz NMPHJKUTPHWFSG-RYUDHWBXSA-N 0 3 323.368 2.265 20 5 DEBDHN CCN(C(=O)Cc1cccc(F)c1[N+](=O)[O-])C1CCN(C)CC1 ZINC000868696941 688108909 /nfs/dbraw/zinc/10/89/09/688108909.db2.gz AKFWQDQCLBAVQD-UHFFFAOYSA-N 0 3 323.368 2.219 20 5 DEBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000871764319 688863560 /nfs/dbraw/zinc/86/35/60/688863560.db2.gz FSAKINZVCWPMGG-ZIAGYGMSSA-N 0 3 322.340 2.434 20 5 DEBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H]1COCCO1 ZINC000872025116 688915131 /nfs/dbraw/zinc/91/51/31/688915131.db2.gz ZNTQRUGYYCAJMW-CMPLNLGQSA-N 0 3 312.391 2.383 20 5 DEBDHN CC(C)(C)OC(=O)N1CC[C@H](NCC[N+](=O)[O-])C12CCCC2 ZINC000930827711 694250507 /nfs/dbraw/zinc/25/05/07/694250507.db2.gz KZXMJMJTCFKUAI-LBPRGKRZSA-N 0 3 313.398 2.175 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000930861240 694256622 /nfs/dbraw/zinc/25/66/22/694256622.db2.gz BWSONVWZPHJQLQ-SWLSCSKDSA-N 0 3 318.377 2.379 20 5 DEBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000874837503 689510834 /nfs/dbraw/zinc/51/08/34/689510834.db2.gz KMORWANVOZPQHH-CHWSQXEVSA-N 0 3 307.325 2.043 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@@H]2CCCN3C)c1 ZINC000874837417 689511694 /nfs/dbraw/zinc/51/16/94/689511694.db2.gz JHUOBZZJVGRDPK-CABCVRRESA-N 0 3 303.362 2.212 20 5 DEBDHN CN1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C(C)(C)C ZINC000878840559 690511583 /nfs/dbraw/zinc/51/15/83/690511583.db2.gz OGPQVXJPRUVOBR-HOTGVXAUSA-N 0 3 321.421 2.290 20 5 DEBDHN CCOc1cc(CN(C)[C@@H]2CCOC[C@H]2OC)ccc1[N+](=O)[O-] ZINC000880437521 690898830 /nfs/dbraw/zinc/89/88/30/690898830.db2.gz MCRMFNNBXLCQNL-CZUORRHYSA-N 0 3 324.377 2.229 20 5 DEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCN(C)[C@H]1C ZINC000931495321 694413071 /nfs/dbraw/zinc/41/30/71/694413071.db2.gz ISCWIBBXKSNNGD-GWCFXTLKSA-N 0 3 306.366 2.371 20 5 DEBDHN CCOc1cc(NC(=O)N[C@@H]2CCN(C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000931902202 694501198 /nfs/dbraw/zinc/50/11/98/694501198.db2.gz GCBGZMYPEAWRLT-ZYHUDNBSSA-N 0 3 322.365 2.208 20 5 DEBDHN CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2Cc1cccc([N+](=O)[O-])c1 ZINC001048490237 692629028 /nfs/dbraw/zinc/62/90/28/692629028.db2.gz MZIRTGXQOGBRFW-MUJYYYPQSA-N 0 3 317.389 2.474 20 5 DEBDHN CC(C)(C)OC[C@@H]1CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000932171049 694566114 /nfs/dbraw/zinc/56/61/14/694566114.db2.gz SHPFWGIKMBSRKU-AWEZNQCLSA-N 0 3 323.393 2.036 20 5 DEBDHN C[C@@H](NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cnnn1C ZINC000926112763 693398212 /nfs/dbraw/zinc/39/82/12/693398212.db2.gz FELICVAZFXKSKC-SECBINFHSA-N 0 3 309.757 2.270 20 5 DEBDHN CC[C@H](C)N[C@H](CNc1c([N+](=O)[O-])cnn1C)c1ccco1 ZINC001333766143 1150088939 /nfs/dbraw/zinc/08/89/39/1150088939.db2.gz BRICIVBJYHGIAH-WDEREUQCSA-N 0 3 307.354 2.463 20 5 DEBDHN C[C@H](CNC(=O)N1C[C@@H](C)NC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC001357687210 1152325397 /nfs/dbraw/zinc/32/53/97/1152325397.db2.gz HINRJRIGNVQWAZ-UPJWGTAASA-N 0 3 320.393 2.090 20 5 DEBDHN C[C@H]1[C@@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC001332845454 1149899953 /nfs/dbraw/zinc/89/99/53/1149899953.db2.gz WINWNAKCKWGTDB-FZMZJTMJSA-N 0 3 320.393 2.222 20 5 DEBDHN COc1ccc(C[C@@H](C)NCc2cn(C)cn2)c([N+](=O)[O-])c1 ZINC001170300184 786893772 /nfs/dbraw/zinc/89/37/72/786893772.db2.gz YHSAYFIGUMRDBF-LLVKDONJSA-N 0 3 304.350 2.058 20 5 DEBDHN COc1ccc(C[C@H](C)N2C[C@H](O)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC001170328768 786910985 /nfs/dbraw/zinc/91/09/85/786910985.db2.gz MGFIBAQPJNHVAX-MBNYWOFBSA-N 0 3 308.378 2.380 20 5 DEBDHN COc1ccc(C[C@H](C)N2CC(C)(N(C)C)C2)c([N+](=O)[O-])c1 ZINC001170352868 786916871 /nfs/dbraw/zinc/91/68/71/786916871.db2.gz SFYMANVAAFSYTR-LBPRGKRZSA-N 0 3 307.394 2.170 20 5 DEBDHN C[C@H](Nc1cc(Cl)ccc1/C=C/[N+](=O)[O-])[C@@H]1CNCCO1 ZINC001170566484 787644195 /nfs/dbraw/zinc/64/41/95/787644195.db2.gz ARFXCKOEELJBPJ-PCQPLOBWSA-N 0 3 311.769 2.376 20 5 DEBDHN O=C(CCCC1CC1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001132600645 788138241 /nfs/dbraw/zinc/13/82/41/788138241.db2.gz QJSLBBXOGBEDGY-UHFFFAOYSA-N 0 3 305.378 2.381 20 5 DEBDHN Cc1coc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)c1 ZINC001132640819 788149368 /nfs/dbraw/zinc/14/93/68/788149368.db2.gz HRYXQATZHIVCDQ-UHFFFAOYSA-N 0 3 303.318 2.016 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@@H](N1CC[C@](F)(CO)C1)CC2 ZINC001172909475 793542223 /nfs/dbraw/zinc/54/22/23/793542223.db2.gz SADVHJQBMGHLJZ-GOEBONIOSA-N 0 3 308.353 2.249 20 5 DEBDHN COC(=O)C1CCN([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173222127 793637672 /nfs/dbraw/zinc/63/76/72/793637672.db2.gz PDIMTUBHFGNDGP-LBPRGKRZSA-N 0 3 306.362 2.411 20 5 DEBDHN CC(=O)N(C)[C@@H]1CCN([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173232864 793645718 /nfs/dbraw/zinc/64/57/18/793645718.db2.gz UEBRRHUWUCFXRF-MLGOLLRUSA-N 0 3 305.378 2.078 20 5 DEBDHN CC(C)c1ccc(CNC[C@H]2CN(C)CCN2C)cc1[N+](=O)[O-] ZINC001177833741 794760871 /nfs/dbraw/zinc/76/08/71/794760871.db2.gz CWGUXRUYPLSBOX-HNNXBMFYSA-N 0 3 320.437 2.054 20 5 DEBDHN O=C(NCc1ccc([N+](=O)[O-])cc1)c1cc2c(s1)CNCC2 ZINC001121925178 795704804 /nfs/dbraw/zinc/70/48/04/795704804.db2.gz GPELNTVTBACBHV-UHFFFAOYSA-N 0 3 317.370 2.232 20 5 DEBDHN CC(C)Oc1nc(N[C@H]2CN3CCC2CC3)ccc1[N+](=O)[O-] ZINC001155667001 797822617 /nfs/dbraw/zinc/82/26/17/797822617.db2.gz FGTFRQRIOOSIFX-LBPRGKRZSA-N 0 3 306.366 2.283 20 5 DEBDHN Cc1cc(CN)nn1-c1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001156043816 797912515 /nfs/dbraw/zinc/91/25/15/797912515.db2.gz GBOKBGJWGXMGSN-UHFFFAOYSA-N 0 3 310.317 2.005 20 5 DEBDHN O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CCNC2(CC2)C1 ZINC001158936478 798492198 /nfs/dbraw/zinc/49/21/98/798492198.db2.gz GAGTZZJHOWJKFD-UHFFFAOYSA-N 0 3 319.752 2.134 20 5 DEBDHN CN1CC(CNc2cc([N+](=O)[O-])cc3c(Cl)ncnc23)C1 ZINC001159222725 798540349 /nfs/dbraw/zinc/54/03/49/798540349.db2.gz QJUPXVGTJMMSDW-UHFFFAOYSA-N 0 3 307.741 2.165 20 5 DEBDHN CCOc1cc([N+](=O)[O-])ccc1NCCCN1CCN(C)CC1 ZINC001161708927 798918900 /nfs/dbraw/zinc/91/89/00/798918900.db2.gz YFHKAWJRVFGKDP-UHFFFAOYSA-N 0 3 322.409 2.043 20 5 DEBDHN C[C@H](Nc1cc2c(cc1[N+](=O)[O-])CNC2)c1nnc2ccccn21 ZINC001162183205 799028961 /nfs/dbraw/zinc/02/89/61/799028961.db2.gz NBSNYSGCAUZALA-JTQLQIEISA-N 0 3 324.344 2.414 20 5 DEBDHN Cc1cc(-n2nccc2CN)c([N+](=O)[O-])cc1Br ZINC001162598378 799126801 /nfs/dbraw/zinc/12/68/01/799126801.db2.gz WMDCBYQAJCVBNM-UHFFFAOYSA-N 0 3 311.139 2.310 20 5 DEBDHN CN1CCc2c(N[C@H]3CN4CCC3CC4)ccc([N+](=O)[O-])c2C1 ZINC001163394969 799330474 /nfs/dbraw/zinc/33/04/74/799330474.db2.gz NQYPKDDXFDLLCQ-INIZCTEOSA-N 0 3 316.405 2.089 20 5 DEBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1OC1CCN(C)CC1 ZINC001229957198 801341191 /nfs/dbraw/zinc/34/11/91/801341191.db2.gz HRXCAWXRWOTTBL-UHFFFAOYSA-N 0 3 308.334 2.163 20 5 DEBDHN c1ccc2c(c1)ccc1c2ccnc1O[C@@H]1CN2C[C@H]1NCC2 ZINC001218111048 802144288 /nfs/dbraw/zinc/14/42/88/802144288.db2.gz RIMXVFKUKUYKMV-QZTJIDSGSA-N 0 3 305.381 2.423 20 5 DEBDHN COCCN1CCC(Oc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC001226256428 803078833 /nfs/dbraw/zinc/07/88/33/803078833.db2.gz SRUWYUCGNGILAT-UHFFFAOYSA-N 0 3 315.757 2.133 20 5 DEBDHN O=[N+]([O-])c1cnc(O[C@@H]2CCCN(Cc3ccccc3)C2)nc1 ZINC001226729244 803149668 /nfs/dbraw/zinc/14/96/68/803149668.db2.gz CFTDOWXBVZIXII-OAHLLOKOSA-N 0 3 314.345 2.428 20 5 DEBDHN CCN1CCC[C@H](Oc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC001227044935 803192407 /nfs/dbraw/zinc/19/24/07/803192407.db2.gz RYSZLCPBDBKERD-LBPRGKRZSA-N 0 3 308.334 2.245 20 5 DEBDHN CCOC(=O)c1ccc(OC2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC001227298317 803228408 /nfs/dbraw/zinc/22/84/08/803228408.db2.gz JDCUAAOJYSBGAP-UHFFFAOYSA-N 0 3 308.334 2.245 20 5 DEBDHN CC[C@H](C)C[N@H+](C)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001604004236 1070173077 /nfs/dbraw/zinc/17/30/77/1070173077.db2.gz OTRGQHYCSVSJQL-JTQLQIEISA-N 0 3 304.354 2.253 20 5 DEBDHN CC[C@H](C)C[N@@H+](C)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001604004236 1070173079 /nfs/dbraw/zinc/17/30/79/1070173079.db2.gz OTRGQHYCSVSJQL-JTQLQIEISA-N 0 3 304.354 2.253 20 5 DEBDHN CC[C@H](C)C[N@H+](C)Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001604004236 1070173081 /nfs/dbraw/zinc/17/30/81/1070173081.db2.gz OTRGQHYCSVSJQL-JTQLQIEISA-N 0 3 304.354 2.253 20 5 DEBDHN CC[C@H](C)C[N@@H+](C)Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001604004236 1070173084 /nfs/dbraw/zinc/17/30/84/1070173084.db2.gz OTRGQHYCSVSJQL-JTQLQIEISA-N 0 3 304.354 2.253 20 5 DEBDHN CC(C)CN1CCC[C@H]1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001625754748 1078250854 /nfs/dbraw/zinc/25/08/54/1078250854.db2.gz YINBAQYYCTUTOI-ZDUSSCGKSA-N 0 3 306.366 2.236 20 5 DEBDHN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCCN1CC[C@H](C)C1 ZINC001634399004 1078427420 /nfs/dbraw/zinc/42/74/20/1078427420.db2.gz DYRXXPVGAWBABD-JTQLQIEISA-N 0 3 309.341 2.114 20 5 DEBDHN CN(C)CCSc1ncc([N+](=O)[O-])cc1Br ZINC001642437386 1078755247 /nfs/dbraw/zinc/75/52/47/1078755247.db2.gz JCRLUOXHEOLSNS-UHFFFAOYSA-N 0 3 306.185 2.406 20 5 DEBDHN Cc1ccc(CNC(=O)[C@H](N)Cc2ccccc2)cc1[N+](=O)[O-] ZINC001574154562 1069166825 /nfs/dbraw/zinc/16/68/25/1069166825.db2.gz OCZJIORSBUWVJH-OAHLLOKOSA-N 0 3 313.357 2.089 20 5 DEBDHN C[C@@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001590262600 1076603089 /nfs/dbraw/zinc/60/30/89/1076603089.db2.gz WPBRRSBQLDKSEI-LLVKDONJSA-N 0 3 316.365 2.397 20 5 DEBDHN C[C@@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001590262600 1076603090 /nfs/dbraw/zinc/60/30/90/1076603090.db2.gz WPBRRSBQLDKSEI-LLVKDONJSA-N 0 3 316.365 2.397 20 5 DEBDHN C[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001590262600 1076603091 /nfs/dbraw/zinc/60/30/91/1076603091.db2.gz WPBRRSBQLDKSEI-LLVKDONJSA-N 0 3 316.365 2.397 20 5 DEBDHN C[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001590262600 1076603093 /nfs/dbraw/zinc/60/30/93/1076603093.db2.gz WPBRRSBQLDKSEI-LLVKDONJSA-N 0 3 316.365 2.397 20 5 DEBDHN CC[N@H+](CCC1CC1)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590692578 1076670290 /nfs/dbraw/zinc/67/02/90/1076670290.db2.gz XXDVFDXKLHJWQN-UHFFFAOYSA-N 0 3 316.365 2.397 20 5 DEBDHN CC[N@@H+](CCC1CC1)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590692578 1076670291 /nfs/dbraw/zinc/67/02/91/1076670291.db2.gz XXDVFDXKLHJWQN-UHFFFAOYSA-N 0 3 316.365 2.397 20 5 DEBDHN CC[N@H+](CCC1CC1)Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590692578 1076670292 /nfs/dbraw/zinc/67/02/92/1076670292.db2.gz XXDVFDXKLHJWQN-UHFFFAOYSA-N 0 3 316.365 2.397 20 5 DEBDHN CC[N@@H+](CCC1CC1)Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590692578 1076670293 /nfs/dbraw/zinc/67/02/93/1076670293.db2.gz XXDVFDXKLHJWQN-UHFFFAOYSA-N 0 3 316.365 2.397 20 5 DEBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC001593482665 1077009377 /nfs/dbraw/zinc/00/93/77/1077009377.db2.gz OIINTDOUAHYAMR-PHIMTYICSA-N 0 3 314.349 2.007 20 5 DEBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC001593482665 1077009383 /nfs/dbraw/zinc/00/93/83/1077009383.db2.gz OIINTDOUAHYAMR-PHIMTYICSA-N 0 3 314.349 2.007 20 5 DEBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC001593482665 1077009388 /nfs/dbraw/zinc/00/93/88/1077009388.db2.gz OIINTDOUAHYAMR-PHIMTYICSA-N 0 3 314.349 2.007 20 5 DEBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC001593482665 1077009393 /nfs/dbraw/zinc/00/93/93/1077009393.db2.gz OIINTDOUAHYAMR-PHIMTYICSA-N 0 3 314.349 2.007 20 5 DEBDHN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC001651886232 1079838558 /nfs/dbraw/zinc/83/85/58/1079838558.db2.gz GZFHHLMQCVVQPT-NWDGAFQWSA-N 0 3 321.352 2.351 20 5 DEBDHN C[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1ccc([N+](=O)[O-])cc1 ZINC001654746689 1079975851 /nfs/dbraw/zinc/97/58/51/1079975851.db2.gz LPBOUFCCBXVVDO-SNVBAGLBSA-N 0 3 305.294 2.050 20 5 DEBDHN Cc1cccc(CN2CC[C@@H](Nc3nn(C)cc3[N+](=O)[O-])C2)c1 ZINC001655724483 1080016191 /nfs/dbraw/zinc/01/61/91/1080016191.db2.gz ZNYGVUADRDHDKN-CQSZACIVSA-N 0 3 315.377 2.323 20 5 DEBDHN CC(C)(C)/C=C\C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001124883103 1080511089 /nfs/dbraw/zinc/51/10/89/1080511089.db2.gz MTNIUKRZNVTFJR-FPLPWBNLSA-N 0 3 305.378 2.403 20 5 DEBDHN CN(C)C1(C)CN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)C1 ZINC001165118022 1090031576 /nfs/dbraw/zinc/03/15/76/1090031576.db2.gz OIZUWTVVTAKMBI-UHFFFAOYSA-N 0 3 320.727 2.328 20 5 DEBDHN CCOC(=O)C[C@@H]1CCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001338420952 1142855239 /nfs/dbraw/zinc/85/52/39/1142855239.db2.gz HOBAMLKLJMZSCX-DZGCQCFKSA-N 0 3 322.361 2.046 20 5 DEBDHN NCc1cn(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC001254464769 1143125155 /nfs/dbraw/zinc/12/51/55/1143125155.db2.gz IZIONBSCHJQDCM-UHFFFAOYSA-N 0 3 301.350 2.092 20 5 DEBDHN O=C(CN[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)Nc1ccccc1 ZINC001254576088 1143258481 /nfs/dbraw/zinc/25/84/81/1143258481.db2.gz UQAVBEAPKMRFDO-OAHLLOKOSA-N 0 3 311.341 2.290 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](NCc1cnc(Cl)cn1)C2 ZINC001254588302 1143269671 /nfs/dbraw/zinc/26/96/71/1143269671.db2.gz DAYPZECEJIMDKO-LLVKDONJSA-N 0 3 304.737 2.295 20 5 DEBDHN CCOC(=O)[C@@H]1CCCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254604271 1143276900 /nfs/dbraw/zinc/27/69/00/1143276900.db2.gz UGYXOJAIPNGLQJ-CJNGLKHVSA-N 0 3 318.373 2.337 20 5 DEBDHN O=C1CC[C@@]2(CCCN([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)O1 ZINC001254609614 1143280529 /nfs/dbraw/zinc/28/05/29/1143280529.db2.gz YDRAWPGPXUVOHN-DOTOQJQBSA-N 0 3 316.357 2.234 20 5 DEBDHN O=[N+]([O-])c1cc(CNC[C@H](CO)CC2CCOCC2)cs1 ZINC001256034101 1143823484 /nfs/dbraw/zinc/82/34/84/1143823484.db2.gz BKPZTEBCDNGBCW-GFCCVEGCSA-N 0 3 314.407 2.171 20 5 DEBDHN CN1C[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C(C)(C)C1 ZINC001303989488 1147341049 /nfs/dbraw/zinc/34/10/49/1147341049.db2.gz QGXLNAPGBIVYDI-AWEZNQCLSA-N 0 3 316.361 2.146 20 5 DEBDHN CN1CCCC[C@@H]1CNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001339268037 1147399953 /nfs/dbraw/zinc/39/99/53/1147399953.db2.gz WATSAWAYCIYIRS-PMPSAXMXSA-N 0 3 317.389 2.299 20 5 DEBDHN Cc1cc(=O)n(CCN(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000278557562 214235667 /nfs/dbraw/zinc/23/56/67/214235667.db2.gz MHHVYKBYCNZRMB-UHFFFAOYSA-N 0 3 301.346 2.197 20 5 DEBDHN Cn1cc([C@H](O)CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000278715070 214348432 /nfs/dbraw/zinc/34/84/32/214348432.db2.gz LYKGGWCVWYKZPE-HZPDHXFCSA-N 0 3 316.361 2.029 20 5 DEBDHN O=[N+]([O-])c1ccc2oc(CN3CC[C@H](N4CCCC4)C3)nc2c1 ZINC000083170411 185215801 /nfs/dbraw/zinc/21/58/01/185215801.db2.gz YQAPSFJGGSGCKH-ZDUSSCGKSA-N 0 3 316.361 2.406 20 5 DEBDHN CN(C)CCN(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000176376830 282198275 /nfs/dbraw/zinc/19/82/75/282198275.db2.gz CHSZXOKRJQTKLF-UHFFFAOYSA-N 0 3 307.375 2.443 20 5 DEBDHN COc1cccc(NCCN2CCC(OC)CC2)c1[N+](=O)[O-] ZINC000613883494 362239587 /nfs/dbraw/zinc/23/95/87/362239587.db2.gz KEUOWZXYJSBPQV-UHFFFAOYSA-N 0 3 309.366 2.126 20 5 DEBDHN CN1C[C@@H](N[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000417349144 529821735 /nfs/dbraw/zinc/82/17/35/529821735.db2.gz ZQPWNHVLKUDKJI-SWLSCSKDSA-N 0 3 303.362 2.183 20 5 DEBDHN C[C@@H](Nc1nc2sccn2c1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000272749499 210153730 /nfs/dbraw/zinc/15/37/30/210153730.db2.gz DVRQPFKQQPVUMX-SECBINFHSA-N 0 3 307.379 2.366 20 5 DEBDHN C[C@H](C(=O)N[C@H]1CCN(C)[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000330880106 232134598 /nfs/dbraw/zinc/13/45/98/232134598.db2.gz YVXOXZMCQROVKR-SRVKXCTJSA-N 0 3 323.368 2.436 20 5 DEBDHN C[C@H]1C[C@@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000330906722 232151836 /nfs/dbraw/zinc/15/18/36/232151836.db2.gz NFXUMJFEMXNCBJ-RYUDHWBXSA-N 0 3 323.418 2.286 20 5 DEBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)N1CCCC1 ZINC000083421888 192370369 /nfs/dbraw/zinc/37/03/69/192370369.db2.gz HIZJPGNCBSHZOZ-SNVBAGLBSA-N 0 3 311.769 2.462 20 5 DEBDHN CN1CC[C@H]2CCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000272691018 210098086 /nfs/dbraw/zinc/09/80/86/210098086.db2.gz XBCIURQZBHNSJF-WWCKUISVSA-N 0 3 315.373 2.161 20 5 DEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@H](C)[C@H]1CN(C)CCO1 ZINC000615721962 362691841 /nfs/dbraw/zinc/69/18/41/362691841.db2.gz QQFUHXOGJBZWKA-BYPLOIIRSA-N 0 3 319.405 2.307 20 5 DEBDHN C[C@@H](CN(C)C)NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000286927862 219229532 /nfs/dbraw/zinc/22/95/32/219229532.db2.gz IXERCYRAPNMBJO-QWRGUYRKSA-N 0 3 311.407 2.142 20 5 DEBDHN COC[C@@H](CO)NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000279776784 215135760 /nfs/dbraw/zinc/13/57/60/215135760.db2.gz KYNAXBJBGKELSE-LLVKDONJSA-N 0 3 322.386 2.420 20 5 DEBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)N(C)C1CC1 ZINC000139273777 186021036 /nfs/dbraw/zinc/02/10/36/186021036.db2.gz UZWBBADZHQOYJE-SECBINFHSA-N 0 3 311.769 2.461 20 5 DEBDHN COC(=O)c1cc(OCCN2CCCCC2)ccc1[N+](=O)[O-] ZINC000171933625 198010518 /nfs/dbraw/zinc/01/05/18/198010518.db2.gz LRCGPFZVQMRKDO-UHFFFAOYSA-N 0 3 308.334 2.246 20 5 DEBDHN COc1ccc(OCCN2CCCC[C@@H]2[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000173710760 198243307 /nfs/dbraw/zinc/24/33/07/198243307.db2.gz BWTKQCSLZMRQPH-TZMCWYRMSA-N 0 3 324.377 2.218 20 5 DEBDHN Cc1ccc(NC(=O)N2CC[C@H](N3CC=CC3)C2)cc1[N+](=O)[O-] ZINC000174186890 198303909 /nfs/dbraw/zinc/30/39/09/198303909.db2.gz DQXFQNBXJRQVOJ-AWEZNQCLSA-N 0 3 316.361 2.381 20 5 DEBDHN O=[N+]([O-])c1cnn(CCN(Cc2cccc(O)c2)CC2CC2)c1 ZINC000174837187 198391799 /nfs/dbraw/zinc/39/17/99/198391799.db2.gz BIQZUHSKGVMJQP-UHFFFAOYSA-N 0 3 316.361 2.409 20 5 DEBDHN Cc1nn(C)c(N[C@@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000051265279 354382249 /nfs/dbraw/zinc/38/22/49/354382249.db2.gz ZEWVWQSRNPYNMG-CQSZACIVSA-N 0 3 315.377 2.323 20 5 DEBDHN Cc1nn(C)c(NC[C@@H](c2ccc(F)cc2)N(C)C)c1[N+](=O)[O-] ZINC000052486118 354403505 /nfs/dbraw/zinc/40/35/05/354403505.db2.gz WGIXBSJLJDCCIB-ZDUSSCGKSA-N 0 3 321.356 2.491 20 5 DEBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)N1CCCC1 ZINC000052641281 354409816 /nfs/dbraw/zinc/40/98/16/354409816.db2.gz HEPHSYLHCJXFFL-SNVBAGLBSA-N 0 3 311.769 2.462 20 5 DEBDHN C[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000067273302 354755363 /nfs/dbraw/zinc/75/53/63/354755363.db2.gz RTKNSPWFWHBCQI-CQSZACIVSA-N 0 3 319.405 2.374 20 5 DEBDHN C[C@@H]1CN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1C ZINC000072873049 354927819 /nfs/dbraw/zinc/92/78/19/354927819.db2.gz JNYWQSPRKJKLJS-LALPHHSUSA-N 0 3 303.362 2.288 20 5 DEBDHN C[C@@H](C[S@](C)=O)N(C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000126333817 355816407 /nfs/dbraw/zinc/81/64/07/355816407.db2.gz PWSWKLNCALJNLQ-LAJNKCICSA-N 0 3 314.407 2.063 20 5 DEBDHN CC[C@H](N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000182280330 356119286 /nfs/dbraw/zinc/11/92/86/356119286.db2.gz ZNUAFOYGWKCYAA-SLEUVZQESA-N 0 3 321.377 2.469 20 5 DEBDHN CC[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H]1CCCO1 ZINC000182279818 356119490 /nfs/dbraw/zinc/11/94/90/356119490.db2.gz GDHPDBIIBMOBAE-DZGCQCFKSA-N 0 3 321.377 2.389 20 5 DEBDHN CC[C@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000182384273 356124983 /nfs/dbraw/zinc/12/49/83/356124983.db2.gz FXACEIYCZRXPCF-LSDHHAIUSA-N 0 3 321.377 2.105 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCN1CCC(O)CC1 ZINC000581590123 357211555 /nfs/dbraw/zinc/21/15/55/357211555.db2.gz DAIDJRZKWVWVJP-CYBMUJFWSA-N 0 3 307.394 2.011 20 5 DEBDHN CCn1nc(C)c([N+](=O)[O-])c1N1C[C@H](N2CCCC2)C[C@@H]1C ZINC000588071907 357391967 /nfs/dbraw/zinc/39/19/67/357391967.db2.gz UQHAZJPMESQJLM-WCQYABFASA-N 0 3 307.398 2.183 20 5 DEBDHN CCc1nn(C)c(N2CCN(C3CCC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000589877340 357503173 /nfs/dbraw/zinc/50/31/73/357503173.db2.gz YCZAYKAGJRMEOA-LBPRGKRZSA-N 0 3 321.425 2.201 20 5 DEBDHN CCCN(CCN1CCCCCC1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000589527513 357478165 /nfs/dbraw/zinc/47/81/65/357478165.db2.gz HQTCQRPZJRGRMI-UHFFFAOYSA-N 0 3 323.397 2.046 20 5 DEBDHN C[C@@H]1CCC[C@@]1(O)CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590195285 357525860 /nfs/dbraw/zinc/52/58/60/357525860.db2.gz GTPJDBMXVZQFBW-BDJLRTHQSA-N 0 3 322.361 2.007 20 5 DEBDHN O=C1CC[C@@H](CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)N1 ZINC000593029565 357990600 /nfs/dbraw/zinc/99/06/00/357990600.db2.gz CCSZTUTWEXVDTP-KBPBESRZSA-N 0 3 303.362 2.053 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CNC1(C2CCC2)CC1 ZINC000593078894 358002802 /nfs/dbraw/zinc/00/28/02/358002802.db2.gz CTLVLYSAEPYACS-UHFFFAOYSA-N 0 3 319.361 2.464 20 5 DEBDHN COc1ccc(NC(=O)CNC2(C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000593080357 358004185 /nfs/dbraw/zinc/00/41/85/358004185.db2.gz MDTZZTMZGWBPCY-UHFFFAOYSA-N 0 3 319.361 2.464 20 5 DEBDHN COC(=O)[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C1CC1 ZINC000593127286 358017536 /nfs/dbraw/zinc/01/75/36/358017536.db2.gz UXOUPOJEWFWOHF-LSDHHAIUSA-N 0 3 304.346 2.226 20 5 DEBDHN O=C(NCCN[C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccco1 ZINC000594489546 358282601 /nfs/dbraw/zinc/28/26/01/358282601.db2.gz BUBHZHFOFSHJRL-ZDUSSCGKSA-N 0 3 315.329 2.195 20 5 DEBDHN O=C(NCCN[C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccco1 ZINC000594489545 358282618 /nfs/dbraw/zinc/28/26/18/358282618.db2.gz BUBHZHFOFSHJRL-CYBMUJFWSA-N 0 3 315.329 2.195 20 5 DEBDHN CC[C@H](C)CCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000594718318 358325179 /nfs/dbraw/zinc/32/51/79/358325179.db2.gz OBDKBUMULOFFEG-LBPRGKRZSA-N 0 3 314.407 2.394 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1CCn2ccnc2C1 ZINC000595032693 358381464 /nfs/dbraw/zinc/38/14/64/358381464.db2.gz LBZVWKCWTZFITA-RYUDHWBXSA-N 0 3 316.361 2.466 20 5 DEBDHN Cc1c(CN2CC[C@H](CN3CCCC3=O)C2)cccc1[N+](=O)[O-] ZINC000595831568 358558119 /nfs/dbraw/zinc/55/81/19/358558119.db2.gz KAILBORQIZMESG-AWEZNQCLSA-N 0 3 317.389 2.348 20 5 DEBDHN CC1C[C@H]2CC[C@@H](C1)N2Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000595858482 358565980 /nfs/dbraw/zinc/56/59/80/358565980.db2.gz VXVPUOZAKFCYCE-FTNCPSPGSA-N 0 3 303.362 2.457 20 5 DEBDHN C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596086029 358607081 /nfs/dbraw/zinc/60/70/81/358607081.db2.gz SPDPVGBABRJKEL-TUAOUCFPSA-N 0 3 308.382 2.474 20 5 DEBDHN C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596086029 358607085 /nfs/dbraw/zinc/60/70/85/358607085.db2.gz SPDPVGBABRJKEL-TUAOUCFPSA-N 0 3 308.382 2.474 20 5 DEBDHN CS[C@H]1CN(c2c(Cl)cncc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000596179932 358631733 /nfs/dbraw/zinc/63/17/33/358631733.db2.gz RNVJAFYHSKVIPS-MNOVXSKESA-N 0 3 316.814 2.125 20 5 DEBDHN CCCN1CC[C@@H](NC(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000596830854 358770730 /nfs/dbraw/zinc/77/07/30/358770730.db2.gz DVBIJQIQMFVTKG-GFCCVEGCSA-N 0 3 322.365 2.209 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000597926032 359044301 /nfs/dbraw/zinc/04/43/01/359044301.db2.gz ZTVDYCXWJUFKHP-LLVKDONJSA-N 0 3 321.377 2.206 20 5 DEBDHN CC(C)[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CCN1 ZINC000598569772 359245121 /nfs/dbraw/zinc/24/51/21/359245121.db2.gz DPQQGBOAXZNPJJ-ZDUSSCGKSA-N 0 3 317.345 2.411 20 5 DEBDHN CC(C)[C@H]1CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CCN1 ZINC000598572780 359246062 /nfs/dbraw/zinc/24/60/62/359246062.db2.gz HKCJDUVKMMSARC-OAHLLOKOSA-N 0 3 316.361 2.146 20 5 DEBDHN CO[C@H]1C[C@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000599014813 359383004 /nfs/dbraw/zinc/38/30/04/359383004.db2.gz GJOYEKQHDNYPDA-HOMQSWHASA-N 0 3 302.277 2.463 20 5 DEBDHN CCN(C(=O)c1ccc([N+](=O)[O-])c(OC)c1)C1CCN(C)CC1 ZINC000599985594 359629310 /nfs/dbraw/zinc/62/93/10/359629310.db2.gz HFPLSNFBFNYREC-UHFFFAOYSA-N 0 3 321.377 2.160 20 5 DEBDHN COC(=O)c1cc(-c2nc3c(s2)CNCC3)cc([N+](=O)[O-])c1 ZINC000600790101 359829612 /nfs/dbraw/zinc/82/96/12/359829612.db2.gz YSIMQHIETKVGAX-UHFFFAOYSA-N 0 3 319.342 2.151 20 5 DEBDHN CC[C@@H](C)[C@H](CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1)OC ZINC000602438389 360372371 /nfs/dbraw/zinc/37/23/71/360372371.db2.gz ILMDBDMTOYXLBG-HIFRSBDPSA-N 0 3 322.409 2.173 20 5 DEBDHN Cc1cc(CNC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)on1 ZINC000602595311 360448973 /nfs/dbraw/zinc/44/89/73/360448973.db2.gz YHBNIVDVTWDNTP-UHFFFAOYSA-N 0 3 317.349 2.045 20 5 DEBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNCCCOCCO ZINC000602598531 360451167 /nfs/dbraw/zinc/45/11/67/360451167.db2.gz WBTQCQISDDLTDT-UHFFFAOYSA-N 0 3 322.283 2.102 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)CCOc1ccccc1F ZINC000602765221 360541674 /nfs/dbraw/zinc/54/16/74/360541674.db2.gz FUINOIVNBLTGQR-UHFFFAOYSA-N 0 3 322.340 2.250 20 5 DEBDHN CN1CC=C(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000271997074 209370892 /nfs/dbraw/zinc/37/08/92/209370892.db2.gz QVOXCKICRRGMIR-UHFFFAOYSA-N 0 3 309.753 2.240 20 5 DEBDHN O=[N+]([O-])c1ccccc1N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000603560169 360845548 /nfs/dbraw/zinc/84/55/48/360845548.db2.gz HIJXONZWUTYYQE-AWEZNQCLSA-N 0 3 305.378 2.286 20 5 DEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCc2ccccc2)c1 ZINC000603824362 360862453 /nfs/dbraw/zinc/86/24/53/360862453.db2.gz WNPFPDWXXJHBIJ-HNNXBMFYSA-N 0 3 302.330 2.124 20 5 DEBDHN Cc1ccc(NC(=O)N2CC[C@]3(CCN(C)C3)C2)cc1[N+](=O)[O-] ZINC000292754507 223230150 /nfs/dbraw/zinc/23/01/50/223230150.db2.gz JZZIZILTYGDVFI-INIZCTEOSA-N 0 3 318.377 2.463 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(CC3CC3)C2)c1 ZINC000610240078 361371465 /nfs/dbraw/zinc/37/14/65/361371465.db2.gz OCJMIRDXFURYBV-ZDUSSCGKSA-N 0 3 303.362 2.117 20 5 DEBDHN CSCCCN(C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000281462115 216316510 /nfs/dbraw/zinc/31/65/10/216316510.db2.gz RHBMWZGQISCTNG-CYBMUJFWSA-N 0 3 314.407 2.019 20 5 DEBDHN CCN(Cc1cc(OC)c(OC)cc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000611256580 361563460 /nfs/dbraw/zinc/56/34/60/361563460.db2.gz HJERMGAUPAFDJQ-LBPRGKRZSA-N 0 3 324.377 2.470 20 5 DEBDHN C[C@H]1CN(c2ccc([N+](=O)[O-])s2)CC[C@@H]1N1CCN(C)CC1 ZINC000611204565 361547716 /nfs/dbraw/zinc/54/77/16/361547716.db2.gz VZRZBOSLSWBSAX-STQMWFEESA-N 0 3 324.450 2.119 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000194782208 201287752 /nfs/dbraw/zinc/28/77/52/201287752.db2.gz FEGDVVUXSULZFI-OLZOCXBDSA-N 0 3 303.362 2.212 20 5 DEBDHN CCOC[C@H](O)CN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543495 243089108 /nfs/dbraw/zinc/08/91/08/243089108.db2.gz CBJYYGNAUFFWFN-GOEBONIOSA-N 0 3 308.378 2.172 20 5 DEBDHN CC[C@@H]1CN(CC)CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000451736661 243395010 /nfs/dbraw/zinc/39/50/10/243395010.db2.gz ZKSJIZYALMZJDT-CQSZACIVSA-N 0 3 307.394 2.390 20 5 DEBDHN CCOCCN(C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000093312299 193227468 /nfs/dbraw/zinc/22/74/68/193227468.db2.gz LUWPBDPXCSABSK-UHFFFAOYSA-N 0 3 309.366 2.200 20 5 DEBDHN CCC[C@@](C)(N)C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000262719406 203391455 /nfs/dbraw/zinc/39/14/55/203391455.db2.gz YATMNJPGIYASPK-MRXNPFEDSA-N 0 3 322.409 2.339 20 5 DEBDHN Cc1c([C@@H](C)NCCN2C[C@H]3CC[C@@H](C2)O3)cccc1[N+](=O)[O-] ZINC000453325311 245075139 /nfs/dbraw/zinc/07/51/39/245075139.db2.gz CMZLDGQSSUNQLG-KFWWJZLASA-N 0 3 319.405 2.417 20 5 DEBDHN COCCN1CC[C@H](Nc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000264812179 204176083 /nfs/dbraw/zinc/17/60/83/204176083.db2.gz DUIPFIJGPSNYJO-LBPRGKRZSA-N 0 3 316.361 2.276 20 5 DEBDHN C[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1Cl ZINC000266476136 205373682 /nfs/dbraw/zinc/37/36/82/205373682.db2.gz SFSUMBLYMAGZJD-ZYHUDNBSSA-N 0 3 324.768 2.156 20 5 DEBDHN O=[N+]([O-])c1ccc(CNC[C@H]2CCC3(CCOCC3)[C@@H]2O)cc1 ZINC000282955476 217349073 /nfs/dbraw/zinc/34/90/73/217349073.db2.gz YBVPQVAPJOYSQZ-GDBMZVCRSA-N 0 3 320.389 2.252 20 5 DEBDHN CCOC(=O)c1cc(N2CCCN(CC)CC2)ccc1[N+](=O)[O-] ZINC000267522174 206121741 /nfs/dbraw/zinc/12/17/41/206121741.db2.gz GNEYGXADUOYLFE-UHFFFAOYSA-N 0 3 321.377 2.304 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCN1CCO[C@@H](C)C1 ZINC000531704554 284598700 /nfs/dbraw/zinc/59/87/00/284598700.db2.gz HTGNPLJTZIYYFO-UONOGXRCSA-N 0 3 307.394 2.275 20 5 DEBDHN CN(CCN1CCCC1)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000492861986 249157279 /nfs/dbraw/zinc/15/72/79/249157279.db2.gz IAPFGMLBLOWZOL-TWGQIWQCSA-N 0 3 303.362 2.162 20 5 DEBDHN CC[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2C)CCN1C[C@@H](C)O ZINC000106102112 194185958 /nfs/dbraw/zinc/18/59/58/194185958.db2.gz GQDUJYKHDCNJIO-CZUORRHYSA-N 0 3 321.421 2.180 20 5 DEBDHN CCN1CCN([C@@H](C)CNc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000059389440 184137793 /nfs/dbraw/zinc/13/77/93/184137793.db2.gz LLORFIKGFVEVDS-LBPRGKRZSA-N 0 3 310.373 2.172 20 5 DEBDHN C[C@@]1(CCCO)CCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000271987931 209362653 /nfs/dbraw/zinc/36/26/53/209362653.db2.gz DCJJHKHTNYRJII-HOTGVXAUSA-N 0 3 308.378 2.255 20 5 DEBDHN C[C@@]1(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CCCCN1 ZINC000273010966 210391024 /nfs/dbraw/zinc/39/10/24/210391024.db2.gz VGTLLCVGMKPPTB-AWEZNQCLSA-N 0 3 311.769 2.397 20 5 DEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@@H]1CCS(=O)(=O)[C@@H]1C ZINC000353855415 533385457 /nfs/dbraw/zinc/38/54/57/533385457.db2.gz MMSFDBSECKPMOC-RORWZZOSSA-N 0 3 324.402 2.163 20 5 DEBDHN C[C@@H](NCCNc1ccccn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294966898 533398473 /nfs/dbraw/zinc/39/84/73/533398473.db2.gz ZFZSLASFLGKNJU-LLVKDONJSA-N 0 3 301.350 2.335 20 5 DEBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC(c3cn[nH]c3)CC2)c1 ZINC000366637385 131112209 /nfs/dbraw/zinc/11/22/09/131112209.db2.gz JLLFAKDZINJVOG-MRXNPFEDSA-N 0 3 316.361 2.231 20 5 DEBDHN CC[C@H]1CCN(Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000355753303 133046282 /nfs/dbraw/zinc/04/62/82/133046282.db2.gz ZOOSJGULVHUNEF-LBPRGKRZSA-N 0 3 322.361 2.379 20 5 DEBDHN CCOc1ccc([C@H](C)NC[C@H](O)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000358060874 133118783 /nfs/dbraw/zinc/11/87/83/133118783.db2.gz LKMWXRDTOSKGGZ-LNSITVRQSA-N 0 3 324.377 2.042 20 5 DEBDHN COCc1cc([N+](=O)[O-])ccc1NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000373675407 133399977 /nfs/dbraw/zinc/39/99/77/133399977.db2.gz SCBWHUZSTZXPNC-LSDHHAIUSA-N 0 3 321.377 2.016 20 5 DEBDHN C[C@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000193110451 145082279 /nfs/dbraw/zinc/08/22/79/145082279.db2.gz UGCLEGFXVFDJGN-SWLSCSKDSA-N 0 3 317.345 2.080 20 5 DEBDHN Cc1cc(C(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000247466304 145137476 /nfs/dbraw/zinc/13/74/76/145137476.db2.gz RLSTXUALRNRYRZ-TZMCWYRMSA-N 0 3 305.378 2.315 20 5 DEBDHN C[C@H](N[C@H]1CC(=O)N2CCCC[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000318715983 145369000 /nfs/dbraw/zinc/36/90/00/145369000.db2.gz RBXOLTUVOODGAM-TUKIKUTGSA-N 0 3 303.362 2.399 20 5 DEBDHN CCOc1ccc([C@H](C)NC[C@@H]2COCCO2)cc1[N+](=O)[O-] ZINC000349245210 146361681 /nfs/dbraw/zinc/36/16/81/146361681.db2.gz HCHZQURGDNTFHJ-WCQYABFASA-N 0 3 310.350 2.060 20 5 DEBDHN Cc1ccc([C@H](C)N[C@H](CO)C2CCOCC2)cc1[N+](=O)[O-] ZINC000360816489 147389337 /nfs/dbraw/zinc/38/93/37/147389337.db2.gz NXVWXHAVAWFOEA-SWLSCSKDSA-N 0 3 308.378 2.341 20 5 DEBDHN C[C@H](C(=O)N1CC[S@](=O)CC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000565635677 292174076 /nfs/dbraw/zinc/17/40/76/292174076.db2.gz ANNSNICWFDBTMR-YEZLUTFDSA-N 0 3 324.402 2.068 20 5 DEBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)N(C)Cc1ccccc1 ZINC000110354607 401689128 /nfs/dbraw/zinc/68/91/28/401689128.db2.gz JXQMZXALUZNVNX-LBPRGKRZSA-N 0 3 317.345 2.438 20 5 DEBDHN CCN1CCC[C@H]1CNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000110609738 401691861 /nfs/dbraw/zinc/69/18/61/401691861.db2.gz HDJPIUOJTFKGPX-OWNNVSBGSA-N 0 3 321.352 2.348 20 5 DEBDHN Cc1ccc([C@@H](C)NC[C@H](O)COCC2CC2)cc1[N+](=O)[O-] ZINC000129884924 401810212 /nfs/dbraw/zinc/81/02/12/401810212.db2.gz FMXJYNFRNRQCAU-DOMZBBRYSA-N 0 3 308.378 2.341 20 5 DEBDHN C[C@H](CN1CCCCC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000027770216 401847518 /nfs/dbraw/zinc/84/75/18/401847518.db2.gz GZNPVWMEXIOCGG-CYBMUJFWSA-N 0 3 305.378 2.128 20 5 DEBDHN O=[N+]([O-])c1ccccc1CN1CCC[C@H](Cn2ccnn2)C1 ZINC000118994326 401917672 /nfs/dbraw/zinc/91/76/72/401917672.db2.gz LQHVHVFXNIYWHS-ZDUSSCGKSA-N 0 3 301.350 2.099 20 5 DEBDHN Cc1cccc(C(=O)NCCN2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000047148656 401979124 /nfs/dbraw/zinc/97/91/24/401979124.db2.gz GGOGDXGZBJKNLD-GFCCVEGCSA-N 0 3 305.378 2.365 20 5 DEBDHN CCNC(=O)N1CC[C@@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000151080437 402014731 /nfs/dbraw/zinc/01/47/31/402014731.db2.gz IZDAERXVHWFACR-WCQYABFASA-N 0 3 306.366 2.049 20 5 DEBDHN CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C1CC1)C1CC1 ZINC000050989108 402030709 /nfs/dbraw/zinc/03/07/09/402030709.db2.gz GMGBKJDGXJUMET-UHFFFAOYSA-N 0 3 303.362 2.314 20 5 DEBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000120769168 402001578 /nfs/dbraw/zinc/00/15/78/402001578.db2.gz TXMSERFNHSNLAM-GWCFXTLKSA-N 0 3 309.341 2.146 20 5 DEBDHN Cc1cccc(C(=O)N(C)CC2CCN(C)CC2)c1[N+](=O)[O-] ZINC000103452346 402189282 /nfs/dbraw/zinc/18/92/82/402189282.db2.gz OHEHIFVRWSUZJF-UHFFFAOYSA-N 0 3 305.378 2.317 20 5 DEBDHN Cc1c(NC(=O)CCN2CCSCC2)cccc1[N+](=O)[O-] ZINC000103467844 402189793 /nfs/dbraw/zinc/18/97/93/402189793.db2.gz GUXSCBBGKDGIEO-UHFFFAOYSA-N 0 3 309.391 2.281 20 5 DEBDHN CN(C)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000068341673 402194480 /nfs/dbraw/zinc/19/44/80/402194480.db2.gz HDZWWLCVKBZIQH-LLVKDONJSA-N 0 3 311.769 2.414 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC2CCN(C(C)C)CC2)c1 ZINC000067785365 402172536 /nfs/dbraw/zinc/17/25/36/402172536.db2.gz JYEVMLHTKUJSQW-UHFFFAOYSA-N 0 3 321.377 2.206 20 5 DEBDHN O=C(Cc1ccc([N+](=O)[O-])cc1F)NC1CCN(C2CC2)CC1 ZINC000125614070 402242229 /nfs/dbraw/zinc/24/22/29/402242229.db2.gz KSRNSYWSTUUCTF-UHFFFAOYSA-N 0 3 321.352 2.019 20 5 DEBDHN C[C@H](CN(C)C)Nc1c(Br)cncc1[N+](=O)[O-] ZINC000235449531 402363522 /nfs/dbraw/zinc/36/35/22/402363522.db2.gz YQGVCPPUDLRUTI-SSDOTTSWSA-N 0 3 303.160 2.114 20 5 DEBDHN C[C@@H]1C[C@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000177662064 402424336 /nfs/dbraw/zinc/42/43/36/402424336.db2.gz SBRQNZQTWRIDNZ-YPMHNXCESA-N 0 3 318.377 2.019 20 5 DEBDHN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCN1 ZINC000238021625 402432483 /nfs/dbraw/zinc/43/24/83/402432483.db2.gz ZALAEOIMNAVASA-HNNXBMFYSA-N 0 3 305.378 2.176 20 5 DEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000177791863 402436892 /nfs/dbraw/zinc/43/68/92/402436892.db2.gz BTXQMYXLNRBWEE-ZBFHGGJFSA-N 0 3 317.389 2.223 20 5 DEBDHN CCN1CCCC[C@@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000171460611 402588389 /nfs/dbraw/zinc/58/83/89/402588389.db2.gz IHSAWFBVLYAZAC-OAHLLOKOSA-N 0 3 305.378 2.128 20 5 DEBDHN CCN1CCC[C@@H]1CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000255081425 402678186 /nfs/dbraw/zinc/67/81/86/402678186.db2.gz PNRSFJGTPXUFPZ-YYRKOSNBSA-N 0 3 303.362 2.209 20 5 DEBDHN C[C@@H]1C[C@@H](NC(=O)/C=C\c2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000255541050 402690128 /nfs/dbraw/zinc/69/01/28/402690128.db2.gz KDQPLCZIJVUKFS-GOCPQTJRSA-N 0 3 315.373 2.349 20 5 DEBDHN COCCCN1CCC(Nc2ncc([N+](=O)[O-])cc2C)CC1 ZINC000264498629 402884270 /nfs/dbraw/zinc/88/42/70/402884270.db2.gz UZEVTBNPHHOIID-UHFFFAOYSA-N 0 3 308.382 2.211 20 5 DEBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C)NC[C@H]1C ZINC000272579230 402955168 /nfs/dbraw/zinc/95/51/68/402955168.db2.gz OBSTWHQIXRBEIQ-IJLUTSLNSA-N 0 3 323.418 2.284 20 5 DEBDHN CC[C@@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)N(CC)CC ZINC000265569565 402930098 /nfs/dbraw/zinc/93/00/98/402930098.db2.gz SAMQZIFTNGATFU-HNNXBMFYSA-N 0 3 307.394 2.374 20 5 DEBDHN COc1ccccc1[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000266953527 403002550 /nfs/dbraw/zinc/00/25/50/403002550.db2.gz VGKZQEOLWWZCMT-ZDUSSCGKSA-N 0 3 316.361 2.289 20 5 DEBDHN CC[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000273425313 403004184 /nfs/dbraw/zinc/00/41/84/403004184.db2.gz KEBNKERLVTZXAJ-CQSZACIVSA-N 0 3 312.391 2.147 20 5 DEBDHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273466591 403007141 /nfs/dbraw/zinc/00/71/41/403007141.db2.gz NRZMCULIWALEQN-ZYHUDNBSSA-N 0 3 322.340 2.434 20 5 DEBDHN C[C@@H]1CN(C2CC2)C[C@H]1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000268155168 403055416 /nfs/dbraw/zinc/05/54/16/403055416.db2.gz NIAMLBIORPQLQG-NOZJJQNGSA-N 0 3 306.322 2.398 20 5 DEBDHN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)[C@@H](c1ccccc1)N(C)C ZINC000274710825 403080598 /nfs/dbraw/zinc/08/05/98/403080598.db2.gz QFBSVOVPYRYSEV-ABAIWWIYSA-N 0 3 316.361 2.344 20 5 DEBDHN CCc1ccc(C(=O)NCC2(N(C)C)CCC2)cc1[N+](=O)[O-] ZINC000276056296 403142724 /nfs/dbraw/zinc/14/27/24/403142724.db2.gz UWUUPXRVSCWRQJ-UHFFFAOYSA-N 0 3 305.378 2.371 20 5 DEBDHN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H](CO)c1ccccc1 ZINC000269645927 403153157 /nfs/dbraw/zinc/15/31/57/403153157.db2.gz KYPICNGJOCDJER-SJORKVTESA-N 0 3 316.357 2.294 20 5 DEBDHN CCOC[C@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269700914 403158235 /nfs/dbraw/zinc/15/82/35/403158235.db2.gz YEKGXWFRIDVTRJ-BBRMVZONSA-N 0 3 308.378 2.377 20 5 DEBDHN CCOC1CC(O)(CNCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000277455836 403219588 /nfs/dbraw/zinc/21/95/88/403219588.db2.gz AQHCMSJAERJSRP-UHFFFAOYSA-N 0 3 314.769 2.268 20 5 DEBDHN COc1c(C(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000331054362 403317602 /nfs/dbraw/zinc/31/76/02/403317602.db2.gz JWUNORYTPGPVDD-AAEUAGOBSA-N 0 3 321.377 2.016 20 5 DEBDHN CCN1CCC[C@H]1CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000298087836 403318649 /nfs/dbraw/zinc/31/86/49/403318649.db2.gz OSMXJQNBLATFGU-LBPRGKRZSA-N 0 3 316.361 2.290 20 5 DEBDHN CCN1CCC(N(C)C(=O)c2cccc([N+](=O)[O-])c2OC)CC1 ZINC000331071539 403321627 /nfs/dbraw/zinc/32/16/27/403321627.db2.gz TZPAARFXKZQIKJ-UHFFFAOYSA-N 0 3 321.377 2.160 20 5 DEBDHN CN1CC[C@](O)(CNc2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000342831644 403364806 /nfs/dbraw/zinc/36/48/06/403364806.db2.gz NKIPXAKBCUVKQF-LBPRGKRZSA-N 0 3 320.176 2.380 20 5 DEBDHN COc1cc(CN[C@@H]2CCC[C@]2(C)CO)c([N+](=O)[O-])cc1F ZINC000331137793 403337889 /nfs/dbraw/zinc/33/78/89/403337889.db2.gz DEPXRLWLILDHEX-HUUCEWRRSA-N 0 3 312.341 2.383 20 5 DEBDHN CC(C)(CO)[C@@H](NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000292980260 403385457 /nfs/dbraw/zinc/38/54/57/403385457.db2.gz HHOXSKIIKACJGH-AWEZNQCLSA-N 0 3 323.349 2.390 20 5 DEBDHN CN1CC[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)C2)C1 ZINC000293884348 403590505 /nfs/dbraw/zinc/59/05/05/403590505.db2.gz MGYCLFAMIGYNFS-OAHLLOKOSA-N 0 3 323.780 2.416 20 5 DEBDHN O=C([C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1)N1CCCC1 ZINC000287412471 403593913 /nfs/dbraw/zinc/59/39/13/403593913.db2.gz ONSDMJXKROAPJA-CQSZACIVSA-N 0 3 303.362 2.039 20 5 DEBDHN CCCN(CCN1CCCC1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000287609267 403633982 /nfs/dbraw/zinc/63/39/82/403633982.db2.gz YRCURSPPXPBZOS-UHFFFAOYSA-N 0 3 319.405 2.472 20 5 DEBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NCCN1CCCCCC1 ZINC000301498634 403637489 /nfs/dbraw/zinc/63/74/89/403637489.db2.gz COKCJWBQDBWMFT-UHFFFAOYSA-N 0 3 320.393 2.242 20 5 DEBDHN COCC1(O)CCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000347316454 403660859 /nfs/dbraw/zinc/66/08/59/403660859.db2.gz LKSABVBXISPGGG-UVTDQMKNSA-N 0 3 320.389 2.471 20 5 DEBDHN CN1CC=C(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000295137356 403770663 /nfs/dbraw/zinc/77/06/63/403770663.db2.gz YZMXGIHLEYCYNF-UHFFFAOYSA-N 0 3 309.753 2.240 20 5 DEBDHN C[C@H]1C[C@H](Nc2ncnc3cccc([N+](=O)[O-])c32)CCN1C ZINC000347463409 403719041 /nfs/dbraw/zinc/71/90/41/403719041.db2.gz MLZHUELVVGWFLC-WDEREUQCSA-N 0 3 301.350 2.433 20 5 DEBDHN C[C@@H](C(=O)N1CCN(C)CC[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000347952625 403974276 /nfs/dbraw/zinc/97/42/76/403974276.db2.gz YMIWTUAGFRBKBE-NWDGAFQWSA-N 0 3 323.368 2.390 20 5 DEBDHN COc1ccc(OCCN2CCC[C@H](CO)[C@H]2C)c([N+](=O)[O-])c1 ZINC000412084192 404120160 /nfs/dbraw/zinc/12/01/60/404120160.db2.gz NOAPJNFABODCQL-CHWSQXEVSA-N 0 3 324.377 2.075 20 5 DEBDHN C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000412126602 404147752 /nfs/dbraw/zinc/14/77/52/404147752.db2.gz FBSCNKLNJGTCSK-SHPPOPEUSA-N 0 3 317.389 2.297 20 5 DEBDHN C[C@H](O)c1ncc(CNCCc2cccc([N+](=O)[O-])c2)s1 ZINC000290478295 404185531 /nfs/dbraw/zinc/18/55/31/404185531.db2.gz VFYYBUOMIZJBFL-JTQLQIEISA-N 0 3 307.375 2.437 20 5 DEBDHN CC(C)(CO)[C@H](NCCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000352350013 404308069 /nfs/dbraw/zinc/30/80/69/404308069.db2.gz OFTICFBOCALSCD-OAHLLOKOSA-N 0 3 318.377 2.141 20 5 DEBDHN CN(C)CC1(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCC1 ZINC000342027693 404322868 /nfs/dbraw/zinc/32/28/68/404322868.db2.gz WBZLSDZFKVUBOZ-UHFFFAOYSA-N 0 3 311.769 2.462 20 5 DEBDHN CC(C)[C@@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000342355194 404528910 /nfs/dbraw/zinc/52/89/10/404528910.db2.gz JVOKOYHRQBIENO-LLVKDONJSA-N 0 3 300.380 2.003 20 5 DEBDHN CC(C)NC(=O)[C@@H](C)N[C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000414329305 404579401 /nfs/dbraw/zinc/57/94/01/404579401.db2.gz BFMKQVQOJZHJPF-CHWSQXEVSA-N 0 3 307.394 2.419 20 5 DEBDHN Cc1cc(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n(C)n1 ZINC000342571884 404657718 /nfs/dbraw/zinc/65/77/18/404657718.db2.gz FCAOGHXQNMAMFB-ZIAGYGMSSA-N 0 3 318.381 2.107 20 5 DEBDHN C[C@H](N[C@H]1CCC[C@@]1(C)CO)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000351514712 404620029 /nfs/dbraw/zinc/62/00/29/404620029.db2.gz CTSGUZNANNPIDM-PJODQICGSA-N 0 3 321.377 2.063 20 5 DEBDHN C[C@H](N[C@H]1CCC[C@@]1(C)CO)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000351520812 404622373 /nfs/dbraw/zinc/62/23/73/404622373.db2.gz YNMPZBWZVTYIBB-PJODQICGSA-N 0 3 321.377 2.063 20 5 DEBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)N(C)C ZINC000361120868 404929214 /nfs/dbraw/zinc/92/92/14/404929214.db2.gz DRBNTJXOAOLHFB-JSGCOSHPSA-N 0 3 307.394 2.230 20 5 DEBDHN COC(=O)CC1CC(NCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000424265413 405053570 /nfs/dbraw/zinc/05/35/70/405053570.db2.gz ICLUFYMUSBECGI-UHFFFAOYSA-N 0 3 308.334 2.035 20 5 DEBDHN C[C@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)[C@@H](C)CN1C ZINC000408102111 405112523 /nfs/dbraw/zinc/11/25/23/405112523.db2.gz ABALNKBEYQZPNO-IUCAKERBSA-N 0 3 307.379 2.128 20 5 DEBDHN Cc1c(CNC(=O)N(C)C[C@H]2CCCN2C)cccc1[N+](=O)[O-] ZINC000420848671 405395270 /nfs/dbraw/zinc/39/52/70/405395270.db2.gz XTOWANALBDDBLF-CQSZACIVSA-N 0 3 320.393 2.139 20 5 DEBDHN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCCNCC1 ZINC000428465194 405423888 /nfs/dbraw/zinc/42/38/88/405423888.db2.gz YNDVLSCJMYILCH-UHFFFAOYSA-N 0 3 317.267 2.049 20 5 DEBDHN CN(C[C@@H]1CCCN1C)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420635322 405365374 /nfs/dbraw/zinc/36/53/74/405365374.db2.gz MGKCIOCBEDHHBI-ZDUSSCGKSA-N 0 3 317.349 2.175 20 5 DEBDHN CC1(C)CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@@H]1O ZINC000446069129 405368476 /nfs/dbraw/zinc/36/84/76/405368476.db2.gz UOWIWXCUFZIYTJ-AWEZNQCLSA-N 0 3 321.377 2.016 20 5 DEBDHN C[C@@H](C(=O)N(C)C[C@@H]1CCCN1C)c1ccc([N+](=O)[O-])cc1F ZINC000421710418 405605181 /nfs/dbraw/zinc/60/51/81/405605181.db2.gz KMKAFCVKAWWJJB-YPMHNXCESA-N 0 3 323.368 2.390 20 5 DEBDHN CN(C[C@H]1CCCN1C)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000421699432 405594107 /nfs/dbraw/zinc/59/41/07/405594107.db2.gz AZTAOCZPWMGIIQ-OAHLLOKOSA-N 0 3 319.405 2.425 20 5 DEBDHN CC[C@@H](O)[C@@H](CC)NCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000449638322 405651663 /nfs/dbraw/zinc/65/16/63/405651663.db2.gz KDRGMQDONGFOPR-DGCLKSJQSA-N 0 3 312.366 2.251 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H](C)N(C)C1CC1 ZINC000421764994 405635509 /nfs/dbraw/zinc/63/55/09/405635509.db2.gz XOODYROKFMSRFC-LBPRGKRZSA-N 0 3 305.378 2.424 20 5 DEBDHN CC(C)N1CC[C@@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000457084282 405688750 /nfs/dbraw/zinc/68/87/50/405688750.db2.gz GJKBTRGHUFAJOY-CQSZACIVSA-N 0 3 323.368 2.218 20 5 DEBDHN COc1cccc(C(=O)N(C)[C@H]2CCN(C(C)C)C2)c1[N+](=O)[O-] ZINC000457097524 405697000 /nfs/dbraw/zinc/69/70/00/405697000.db2.gz SBDFHIUMCYARCK-LBPRGKRZSA-N 0 3 321.377 2.158 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCN(C(C)C)C2)c1 ZINC000457134102 405716342 /nfs/dbraw/zinc/71/63/42/405716342.db2.gz VTEUYERNORNIKB-GFCCVEGCSA-N 0 3 321.377 2.158 20 5 DEBDHN CN(C)CC(C)(C)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000457214887 405756921 /nfs/dbraw/zinc/75/69/21/405756921.db2.gz YDAFELGLALKCQO-UHFFFAOYSA-N 0 3 318.377 2.075 20 5 DEBDHN COC(=O)Cc1ccc(N[C@@H]2CCCN(C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000450432620 405894507 /nfs/dbraw/zinc/89/45/07/405894507.db2.gz BCEDJKCHRTZMPE-WCQYABFASA-N 0 3 321.377 2.205 20 5 DEBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](CN2CCOC2=O)C1 ZINC000496343145 405964241 /nfs/dbraw/zinc/96/42/41/405964241.db2.gz LJLAUYAKINEEFI-QWHCGFSZSA-N 0 3 319.361 2.430 20 5 DEBDHN CNC(=O)c1ccc(NCCN2CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000450951153 405998226 /nfs/dbraw/zinc/99/82/26/405998226.db2.gz OZFUFMYPHLFIDY-UHFFFAOYSA-N 0 3 320.393 2.241 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1CN1CCN(C)[C@@H](C(C)C)C1 ZINC000487971399 406280170 /nfs/dbraw/zinc/28/01/70/406280170.db2.gz NGESVKGQMVQCMH-OAHLLOKOSA-N 0 3 307.394 2.375 20 5 DEBDHN C[C@@H](C(=O)N(C)C[C@H]1CCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000569684566 406288744 /nfs/dbraw/zinc/28/87/44/406288744.db2.gz WSSSOXBXZTWFIT-IUODEOHRSA-N 0 3 305.378 2.251 20 5 DEBDHN COCCN(CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCO[C@@H]1C ZINC000489459580 406407890 /nfs/dbraw/zinc/40/78/90/406407890.db2.gz CLUPWVIVZLBLKZ-CZUORRHYSA-N 0 3 324.377 2.099 20 5 DEBDHN CCN(C[C@H]1CCCN1CC)C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000548453456 406517545 /nfs/dbraw/zinc/51/75/45/406517545.db2.gz AUDBMSKKKDINIK-CYBMUJFWSA-N 0 3 320.393 2.245 20 5 DEBDHN C[C@H](C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000572830116 406745277 /nfs/dbraw/zinc/74/52/77/406745277.db2.gz HBKKJUZTFDVIOX-BFQNTYOBSA-N 0 3 317.389 2.297 20 5 DEBDHN CN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C2CC2)C1 ZINC000491794072 406723481 /nfs/dbraw/zinc/72/34/81/406723481.db2.gz JFEHZRSYKNWFRP-CDVVCGDMSA-N 0 3 315.373 2.303 20 5 DEBDHN CN(C(=O)/C=C\c1cccc([N+](=O)[O-])c1)[C@H]1CN2CCC1CC2 ZINC000491797849 406725107 /nfs/dbraw/zinc/72/51/07/406725107.db2.gz QDWHCXQZFMKGBZ-KJPDOMRESA-N 0 3 315.373 2.161 20 5 DEBDHN C[C@@H]1C[C@@H](NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CCN1C ZINC000491908840 406773688 /nfs/dbraw/zinc/77/36/88/406773688.db2.gz YBNFPLSDDGAJGA-XBWLEZLWSA-N 0 3 303.362 2.207 20 5 DEBDHN CCS(=O)(=O)CCCN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000414349801 228464684 /nfs/dbraw/zinc/46/46/84/228464684.db2.gz ZJSUBRKJPXWNFM-LBPRGKRZSA-N 0 3 314.407 2.379 20 5 DEBDHN Cc1ccc([C@@H](CNc2ccc(N)c([N+](=O)[O-])n2)N(C)C)cc1 ZINC000590575309 424997872 /nfs/dbraw/zinc/99/78/72/424997872.db2.gz KAMYUVGYURZDDY-CQSZACIVSA-N 0 3 315.377 2.595 20 5 DEBDHN CCN1CCC[C@H]1CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429936009 269122260 /nfs/dbraw/zinc/12/22/60/269122260.db2.gz KEEFKQGBLRSJOM-ZDUSSCGKSA-N 0 3 319.405 2.473 20 5 DEBDHN C[C@@H]1OCC[C@@]1(O)CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000278695861 274421916 /nfs/dbraw/zinc/42/19/16/274421916.db2.gz HFQIZQQXVBPPEZ-UXEPBGEESA-N 0 3 320.389 2.447 20 5 DEBDHN C[C@H]1C[C@@H](N2CCCC2)CN1c1ccc([N+](=O)[O-])c(N)c1F ZINC000286237716 274612349 /nfs/dbraw/zinc/61/23/49/274612349.db2.gz FCAKRZKVCNKCHO-WDEREUQCSA-N 0 3 308.357 2.379 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@@H](O)[C@@H]1CCOC1)CCCC2 ZINC000417314668 275038264 /nfs/dbraw/zinc/03/82/64/275038264.db2.gz ZNYHWPIGZOANST-KBRIMQKVSA-N 0 3 320.389 2.349 20 5 DEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCCNC(=O)C1CC1 ZINC000344821341 275398626 /nfs/dbraw/zinc/39/86/26/275398626.db2.gz ISXPVUHCYWUDNI-XFXZXTDPSA-N 0 3 303.362 2.114 20 5 DEBDHN CC(C)c1n[nH]c(C(=O)N[C@@H](C)CN2CCCCC2)c1[N+](=O)[O-] ZINC000269338860 276041688 /nfs/dbraw/zinc/04/16/88/276041688.db2.gz COFJYRUBWPFZTP-NSHDSACASA-N 0 3 323.397 2.046 20 5 DEBDHN C[C@H](N[C@@]1(C)CCO[C@@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000494258160 279529557 /nfs/dbraw/zinc/52/95/57/279529557.db2.gz XYIFZKICQWJTAF-RWSFTLGLSA-N 0 3 307.350 2.079 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1N1CCN(CC2CCOCC2)CC1 ZINC000172411169 281259732 /nfs/dbraw/zinc/25/97/32/281259732.db2.gz AZQYMNFTUISSFR-UHFFFAOYSA-N 0 3 319.405 2.452 20 5 DEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC2(CCCC2)CC1 ZINC000090550145 281636287 /nfs/dbraw/zinc/63/62/87/281636287.db2.gz CDOZFVRVZDGJAG-UHFFFAOYSA-N 0 3 305.378 2.413 20 5 DEBDHN CN1CCC2(CCCN2C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000370204769 289905317 /nfs/dbraw/zinc/90/53/17/289905317.db2.gz TYSHTTQDGCYFBM-UHFFFAOYSA-N 0 3 303.362 2.295 20 5 DEBDHN CN1CC[C@@H]2[C@H](CCCN2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000269093385 290182108 /nfs/dbraw/zinc/18/21/08/290182108.db2.gz MBRYJTIWZBCQGC-DGCLKSJQSA-N 0 3 320.349 2.424 20 5 DEBDHN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCCN(C)C ZINC000447806450 533933946 /nfs/dbraw/zinc/93/39/46/533933946.db2.gz NOHZLORFMUHGIB-UHFFFAOYSA-N 0 3 301.730 2.008 20 5 DEBDHN C[C@H](N[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294544985 533979310 /nfs/dbraw/zinc/97/93/10/533979310.db2.gz ANDJYNVGWRAPNQ-CMPLNLGQSA-N 0 3 320.393 2.227 20 5 DEBDHN CC(C)CN(CCN(C)C)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000104528673 519715573 /nfs/dbraw/zinc/71/55/73/519715573.db2.gz KMBNUAJRDYOXFC-UHFFFAOYSA-N 0 3 323.393 2.020 20 5 DEBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000245498171 524561963 /nfs/dbraw/zinc/56/19/63/524561963.db2.gz VNYODAOVPCMNEV-SMDDNHRTSA-N 0 3 306.366 2.399 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)CCn1cccn1 ZINC000158821628 525463921 /nfs/dbraw/zinc/46/39/21/525463921.db2.gz XNNUGHSVWZEBJM-GFCCVEGCSA-N 0 3 304.350 2.368 20 5 DEBDHN CC(C)(NCCN1CCCOCC1)c1ccccc1[N+](=O)[O-] ZINC000429266300 527291902 /nfs/dbraw/zinc/29/19/02/527291902.db2.gz WRUQDRYINUCRFI-UHFFFAOYSA-N 0 3 307.394 2.142 20 5 DEBDHN CC1(C)CCCN(CCNc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000443965330 528937859 /nfs/dbraw/zinc/93/78/59/528937859.db2.gz RCAQJHWFKXWZRB-UHFFFAOYSA-N 0 3 320.393 2.228 20 5 DEBDHN CCOC[C@H](O)CN[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417313376 529007970 /nfs/dbraw/zinc/00/79/70/529007970.db2.gz PIEUIHLQGCENHT-GDBMZVCRSA-N 0 3 308.378 2.349 20 5 DEBDHN CC(C)N1CCN(CCCSc2ccc([N+](=O)[O-])cn2)CC1 ZINC000413000578 529042204 /nfs/dbraw/zinc/04/22/04/529042204.db2.gz NXFVRXDOVYFGQQ-UHFFFAOYSA-N 0 3 324.450 2.498 20 5 DEBDHN CC[C@@H](C)N1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000295903402 529355502 /nfs/dbraw/zinc/35/55/02/529355502.db2.gz DGLVJVISBKJKPW-CJNGLKHVSA-N 0 3 307.394 2.044 20 5 DEBDHN CCN1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000346460579 535488678 /nfs/dbraw/zinc/48/86/78/535488678.db2.gz JXZDXQRQNQPFPC-CYBMUJFWSA-N 0 3 321.377 2.208 20 5 DEBDHN CC[C@@H](NCc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H](C)O ZINC000449543274 535805746 /nfs/dbraw/zinc/80/57/46/535805746.db2.gz ODGQOSTWPJSFOS-LDYMZIIASA-N 0 3 304.293 2.445 20 5 DEBDHN CCc1nn(C)c(NC[C@@H]2NCCc3ccccc32)c1[N+](=O)[O-] ZINC000261845838 536181296 /nfs/dbraw/zinc/18/12/96/536181296.db2.gz JASIRRYKJSYEDT-AWEZNQCLSA-N 0 3 315.377 2.190 20 5 DEBDHN CN1CCC2(CCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000367351320 536348120 /nfs/dbraw/zinc/34/81/20/536348120.db2.gz GZUGCJFYRRLDFX-UHFFFAOYSA-N 0 3 321.352 2.434 20 5 DEBDHN C[C@H]1C[C@H](Nc2c([N+](=O)[O-])cnn2C)CN1Cc1ccccc1 ZINC000892899008 625697246 /nfs/dbraw/zinc/69/72/46/625697246.db2.gz IDDREEBTFKVYBE-JSGCOSHPSA-N 0 3 315.377 2.403 20 5 DEBDHN Cc1csc(C[C@H]2CCN(CCn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000933125467 624101137 /nfs/dbraw/zinc/10/11/37/624101137.db2.gz HIWFTPMEDIDRJT-GFCCVEGCSA-N 0 3 321.406 2.121 20 5 DEBDHN Cn1ncc([N+](=O)[O-])c1NC[C@H]1CCCN1Cc1ccccc1 ZINC000892540103 625126593 /nfs/dbraw/zinc/12/65/93/625126593.db2.gz BRPWJUBBOARWAE-CQSZACIVSA-N 0 3 315.377 2.405 20 5 DEBDHN CCC1([NH2+]Cc2ccc([O-])c(OC)c2[N+](=O)[O-])CCOCC1 ZINC000893387415 633220509 /nfs/dbraw/zinc/22/05/09/633220509.db2.gz KBKJNAJVGWTWNG-UHFFFAOYSA-N 0 3 310.350 2.358 20 5 DEBDHN C[C@H]1[C@@H](Nc2c([N+](=O)[O-])cnn2C)CCN1Cc1ccccc1 ZINC000893882303 636054801 /nfs/dbraw/zinc/05/48/01/636054801.db2.gz HHYABGAIMIPOSW-JSGCOSHPSA-N 0 3 315.377 2.403 20 5 DEBDHN C[C@@H]1[C@@H](Nc2c([N+](=O)[O-])cnn2C)CCN1Cc1ccccc1 ZINC000893882304 636055138 /nfs/dbraw/zinc/05/51/38/636055138.db2.gz HHYABGAIMIPOSW-OCCSQVGLSA-N 0 3 315.377 2.403 20 5 DEBDHN CCN1CCC[C@H](NC/C=C/c2ccccc2[N+](=O)[O-])C1=O ZINC000922640365 636295235 /nfs/dbraw/zinc/29/52/35/636295235.db2.gz UMQQXZAIJXCXFQ-GPAKFWEMSA-N 0 3 303.362 2.209 20 5 DEBDHN CCN1CC[C@@H](NC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000922909781 636849603 /nfs/dbraw/zinc/84/96/03/636849603.db2.gz VPIAVWQOCNBWAQ-DGCLKSJQSA-N 0 3 306.366 2.049 20 5 DEBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000923282975 637083155 /nfs/dbraw/zinc/08/31/55/637083155.db2.gz VZNCGPALUYZDKQ-GOEBONIOSA-N 0 3 317.389 2.223 20 5 DEBDHN O=[N+]([O-])c1ccc(CN[C@@H](CO)C[C@H]2CCCO2)cc1Cl ZINC000895747828 638175812 /nfs/dbraw/zinc/17/58/12/638175812.db2.gz INBNUBHCRGINRW-VXGBXAGGSA-N 0 3 314.769 2.268 20 5 DEBDHN COc1c(O)ccc(CNC[C@@H]2CC(C)(C)CO2)c1[N+](=O)[O-] ZINC000895930140 638272790 /nfs/dbraw/zinc/27/27/90/638272790.db2.gz FBEVVELVLQFWQI-NSHDSACASA-N 0 3 310.350 2.214 20 5 DEBDHN CCO[C@H](CNc1ccc([N+](=O)[O-])c(C(C)=O)c1)CN(C)C ZINC000896116125 638361755 /nfs/dbraw/zinc/36/17/55/638361755.db2.gz PESVZKLUXZWEGW-CYBMUJFWSA-N 0 3 309.366 2.176 20 5 DEBDHN O=[N+]([O-])c1ccccc1/C=C\CN1CC[C@H](C2OCCO2)C1 ZINC000896384207 638496202 /nfs/dbraw/zinc/49/62/02/638496202.db2.gz JMOQNWKODITSDP-MFBWXBCUSA-N 0 3 304.346 2.303 20 5 DEBDHN Cc1cc(F)cc(C(=O)N[C@H]2CCN(CC3CC3)C2)c1[N+](=O)[O-] ZINC000753101227 639258224 /nfs/dbraw/zinc/25/82/24/639258224.db2.gz DOGJJPMQARKJBI-ZDUSSCGKSA-N 0 3 321.352 2.256 20 5 DEBDHN O=[N+]([O-])c1ccc(N2CCN(C[C@@H]3CCCOC3)CC2)cc1 ZINC000761240930 640290064 /nfs/dbraw/zinc/29/00/64/640290064.db2.gz XRBWVRDMPBNORT-AWEZNQCLSA-N 0 3 305.378 2.143 20 5 DEBDHN O=[N+]([O-])c1ccc(Cl)c(CNC2(CCO)CCOCC2)c1 ZINC000761994283 640370945 /nfs/dbraw/zinc/37/09/45/640370945.db2.gz OXOVNJRVKGXXAD-UHFFFAOYSA-N 0 3 314.769 2.269 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000929118909 640770988 /nfs/dbraw/zinc/77/09/88/640770988.db2.gz WGVPJZUBLOGDLP-SMDDNHRTSA-N 0 3 304.350 2.071 20 5 DEBDHN COc1c([O-])ccc(C[NH2+][C@H](C)Cc2cccnc2)c1[N+](=O)[O-] ZINC000897967516 640986284 /nfs/dbraw/zinc/98/62/84/640986284.db2.gz RVEBUCVJDRMXKO-LLVKDONJSA-N 0 3 317.345 2.425 20 5 DEBDHN CC(COC(=O)c1c(C(F)(F)F)nc2ccccn21)[N+](=O)[O-] ZINC000842363610 650718458 /nfs/dbraw/zinc/71/84/58/650718458.db2.gz MJEXLAWENVTSHS-SSDOTTSWSA-N 0 3 317.223 2.175 20 5 DEBDHN CC(C)CO[C@H]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776587116 642189511 /nfs/dbraw/zinc/18/95/11/642189511.db2.gz UIVPAGOHAJUPEC-JKSUJKDBSA-N 0 3 308.378 2.375 20 5 DEBDHN NC(=O)[C@H]1CCCC[C@H]1NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000782534348 642892501 /nfs/dbraw/zinc/89/25/01/642892501.db2.gz ACJJOFKVTBQDCR-NWDGAFQWSA-N 0 3 311.769 2.382 20 5 DEBDHN COc1cc([C@H](C)NCCC(=O)NC(C)C)cc([N+](=O)[O-])c1 ZINC000903066715 643235824 /nfs/dbraw/zinc/23/58/24/643235824.db2.gz OASNZIMWZVAURB-NSHDSACASA-N 0 3 309.366 2.169 20 5 DEBDHN COc1cc([C@@H](C)NCCOC[C@H]2CCOC2)cc([N+](=O)[O-])c1 ZINC000903092473 643252950 /nfs/dbraw/zinc/25/29/50/643252950.db2.gz KBJIBCXAWLBWAK-OLZOCXBDSA-N 0 3 324.377 2.307 20 5 DEBDHN COc1ccc2c(c1)c(C(=O)OCC(C)[N+](=O)[O-])c(C)n2C ZINC000842801121 650828974 /nfs/dbraw/zinc/82/89/74/650828974.db2.gz CMTGNVAPBRPHHG-SECBINFHSA-N 0 3 306.318 2.317 20 5 DEBDHN O=[N+]([O-])c1ccc(-c2noc(C34CCCN(CCC3)C4)n2)o1 ZINC000904086666 643565711 /nfs/dbraw/zinc/56/57/11/643565711.db2.gz VABZIOAXWGCKKI-UHFFFAOYSA-N 0 3 304.306 2.365 20 5 DEBDHN COc1ccc(-n2nc(C(=O)OCC(C)[N+](=O)[O-])cc2C)cc1 ZINC000813100318 646728029 /nfs/dbraw/zinc/72/80/29/646728029.db2.gz QMUQIWWKIULVSS-LLVKDONJSA-N 0 3 319.317 2.011 20 5 DEBDHN CCCN(CC)C(=O)c1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813101939 646728607 /nfs/dbraw/zinc/72/86/07/646728607.db2.gz LPXWVUFNPMLPLQ-GFCCVEGCSA-N 0 3 322.361 2.381 20 5 DEBDHN CC(COC(=O)c1cccc(-c2noc(C3CC3)n2)c1)[N+](=O)[O-] ZINC000813101443 646729001 /nfs/dbraw/zinc/72/90/01/646729001.db2.gz AGYRTHCAVUHFKD-VIFPVBQESA-N 0 3 317.301 2.436 20 5 DEBDHN CC(COC(=O)c1ccccc1Oc1cnn(C)c1)[N+](=O)[O-] ZINC000813112134 646731332 /nfs/dbraw/zinc/73/13/32/646731332.db2.gz CCZZLCDZHPLEDG-SNVBAGLBSA-N 0 3 305.290 2.034 20 5 DEBDHN CC(COC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)[N+](=O)[O-] ZINC000813111881 646731659 /nfs/dbraw/zinc/73/16/59/646731659.db2.gz BBUGMCZCMKUMGO-IUCAKERBSA-N 0 3 314.319 2.284 20 5 DEBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CC[C@H](O)CC23CCC3)cc1 ZINC000817292589 647260884 /nfs/dbraw/zinc/26/08/84/647260884.db2.gz VBIOXMATDSXGOJ-GJZGRUSLSA-N 0 3 306.362 2.008 20 5 DEBDHN Cc1cc(F)cc(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)c1[N+](=O)[O-] ZINC000152948356 647303511 /nfs/dbraw/zinc/30/35/11/647303511.db2.gz SAFNBCFCCKAZIQ-CMPLNLGQSA-N 0 3 321.352 2.397 20 5 DEBDHN O=[N+]([O-])c1ccc(-c2noc([C@H]3CN4CCC[C@@H]4CO3)n2)cc1 ZINC000923757078 648026783 /nfs/dbraw/zinc/02/67/83/648026783.db2.gz CNIOPVMACITMOJ-CHWSQXEVSA-N 0 3 316.317 2.181 20 5 DEBDHN C[C@H]1CCN(CCNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000826721449 648915199 /nfs/dbraw/zinc/91/51/99/648915199.db2.gz GHIVFFZYIUVOGF-JTQLQIEISA-N 0 3 311.769 2.320 20 5 DEBDHN O=[N+]([O-])c1ccc2cnn(CN3CCN(C4CCC4)CC3)c2c1 ZINC000733297218 649539308 /nfs/dbraw/zinc/53/93/08/649539308.db2.gz IVTMDRAESUITFD-UHFFFAOYSA-N 0 3 315.377 2.072 20 5 DEBDHN CCn1ncc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])n1 ZINC000845884322 651292034 /nfs/dbraw/zinc/29/20/34/651292034.db2.gz XPUYTRQBGDWYFA-ZANVPECISA-N 0 3 322.296 2.000 20 5 DEBDHN O=[N+]([O-])c1ccc(Cl)cc1CNCC[C@@]1(O)CCCOC1 ZINC000846112226 651308486 /nfs/dbraw/zinc/30/84/86/651308486.db2.gz YKOBKCTUHFCGGJ-AWEZNQCLSA-N 0 3 314.769 2.269 20 5 DEBDHN Cn1nnc2c1CC[C@@H](NCc1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000848564658 651471549 /nfs/dbraw/zinc/47/15/49/651471549.db2.gz ASTZLXFCUPCXIJ-LLVKDONJSA-N 0 3 321.768 2.024 20 5 DEBDHN CC(C)n1c(=O)[nH]c2ccc(C(=O)OCC(C)[N+](=O)[O-])cc21 ZINC000851036387 652049475 /nfs/dbraw/zinc/04/94/75/652049475.db2.gz IVYHIPBSUYNFJR-VIFPVBQESA-N 0 3 307.306 2.145 20 5 DEBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@H](O)c1ccccn1 ZINC000852037782 652320602 /nfs/dbraw/zinc/32/06/02/652320602.db2.gz ABTLYCMWQGYNGL-INIZCTEOSA-N 0 3 301.346 2.198 20 5 DEBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000928441649 693780097 /nfs/dbraw/zinc/78/00/97/693780097.db2.gz SULFRRKYJLXTNY-XPKDYRNWSA-N 0 3 319.405 2.372 20 5 DEBDHN O=C(NC[C@H]1CCN1C1CCCC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000863032126 686423225 /nfs/dbraw/zinc/42/32/25/686423225.db2.gz DVWBOSFWDUGNEO-CYBMUJFWSA-N 0 3 321.352 2.481 20 5 DEBDHN CN1CC[C@](O)(CNc2c(Cl)c(Cl)ccc2[N+](=O)[O-])C1 ZINC000865678742 687299571 /nfs/dbraw/zinc/29/95/71/687299571.db2.gz FBRSJENJEMWYJO-LBPRGKRZSA-N 0 3 320.176 2.380 20 5 DEBDHN O=[N+]([O-])c1ccc(NCCN2CC[C@@H](O)C2)c(C(F)F)c1 ZINC000865973344 687396864 /nfs/dbraw/zinc/39/68/64/687396864.db2.gz XOGCKKSVVWBWRL-SNVBAGLBSA-N 0 3 301.293 2.011 20 5 DEBDHN Cc1cc(N2CCC(N3CCN(C)CC3)CC2)c([N+](=O)[O-])s1 ZINC000866213566 687494531 /nfs/dbraw/zinc/49/45/31/687494531.db2.gz SMAZONZVFJTFHH-UHFFFAOYSA-N 0 3 324.450 2.181 20 5 DEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H]1CCCC[C@@H]1F ZINC000872219754 688956402 /nfs/dbraw/zinc/95/64/02/688956402.db2.gz XLNWXFAQXDGYCH-FRRDWIJNSA-N 0 3 312.341 2.205 20 5 DEBDHN C[C@H](N[C@@H]1CCCS(=O)(=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000873128421 689165394 /nfs/dbraw/zinc/16/53/94/689165394.db2.gz NOKRPUCRQSUJDF-WCQYABFASA-N 0 3 312.391 2.213 20 5 DEBDHN Cc1ccc(C(=O)N2CC[C@@H]3[C@H]2CCCN3C)cc1[N+](=O)[O-] ZINC000874849338 689518316 /nfs/dbraw/zinc/51/83/16/689518316.db2.gz JJRDAZGAIRJCRR-ZIAGYGMSSA-N 0 3 303.362 2.212 20 5 DEBDHN CNC(=O)C1CCN(Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000876555231 689854651 /nfs/dbraw/zinc/85/46/51/689854651.db2.gz QVABVZUMMKZJIK-UHFFFAOYSA-N 0 3 305.378 2.170 20 5 DEBDHN CONC(=O)C1CCN(Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000877785432 690227940 /nfs/dbraw/zinc/22/79/40/690227940.db2.gz WBZGBCAIDPJFRV-UHFFFAOYSA-N 0 3 321.377 2.101 20 5 DEBDHN Cc1c(CN(CC2CC2)[C@H](C(N)=O)C2CC2)cccc1[N+](=O)[O-] ZINC000879492487 690653755 /nfs/dbraw/zinc/65/37/55/690653755.db2.gz QEZQCQKTNDAILL-INIZCTEOSA-N 0 3 317.389 2.379 20 5 DEBDHN CCOc1cc(CN(C)[C@H]2CCOC[C@H]2OC)ccc1[N+](=O)[O-] ZINC000880437522 690898244 /nfs/dbraw/zinc/89/82/44/690898244.db2.gz MCRMFNNBXLCQNL-XJKSGUPXSA-N 0 3 324.377 2.229 20 5 DEBDHN O=[N+]([O-])c1ccc2c(cnn2CN2CC[C@H]([C@H]3CCCO3)C2)c1 ZINC000884483276 691748496 /nfs/dbraw/zinc/74/84/96/691748496.db2.gz QRTRGQCEDCQIDM-BLLLJJGKSA-N 0 3 316.361 2.403 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)[C@H](CO)c1ccccc1C ZINC000886445165 692084619 /nfs/dbraw/zinc/08/46/19/692084619.db2.gz YKXYHOMQIUBUMM-OAHLLOKOSA-N 0 3 318.377 2.074 20 5 DEBDHN COc1c([O-])ccc(C[NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)c1[N+](=O)[O-] ZINC001334982348 1150362744 /nfs/dbraw/zinc/36/27/44/1150362744.db2.gz MVHHKTAKYQQOEM-OUCADQQQSA-N 0 3 322.361 2.356 20 5 DEBDHN Cc1cc(C)c(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)o1 ZINC001125401385 776912720 /nfs/dbraw/zinc/91/27/20/776912720.db2.gz NDEIBGAVQIDJDO-UHFFFAOYSA-N 0 3 317.345 2.324 20 5 DEBDHN COc1ccc(CNCC2SCCS2)cc1[N+](=O)[O-] ZINC000692823395 778483939 /nfs/dbraw/zinc/48/39/39/778483939.db2.gz KQKBBKJSWAIUNX-UHFFFAOYSA-N 0 3 300.405 2.499 20 5 DEBDHN Cc1coc(C)c1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001126586496 779766218 /nfs/dbraw/zinc/76/62/18/779766218.db2.gz IAXICRUNMZZADU-UHFFFAOYSA-N 0 3 317.345 2.324 20 5 DEBDHN COc1ccc(CNCCOc2ccc([N+](=O)[O-])cc2)nc1 ZINC001333671464 1150076768 /nfs/dbraw/zinc/07/67/68/1150076768.db2.gz VRKDVOKNBSQIJZ-UHFFFAOYSA-N 0 3 303.318 2.167 20 5 DEBDHN COc1ccc(C[C@H](C)N2CC[C@H](O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001170329866 786911430 /nfs/dbraw/zinc/91/14/30/786911430.db2.gz WFMJPQLVFMNIOP-MKBNYLNASA-N 0 3 308.378 2.237 20 5 DEBDHN COc1ccc(C[C@H](C)N[C@H]2CCOC[C@H]2F)c([N+](=O)[O-])c1 ZINC001170306509 786914887 /nfs/dbraw/zinc/91/48/87/786914887.db2.gz WOBSSDJLECDIDM-GDLCADMTSA-N 0 3 312.341 2.251 20 5 DEBDHN Cc1ccc2c(ccnc2N[C@@H](C)[C@H]2CNCCO2)c1[N+](=O)[O-] ZINC001170561182 787623382 /nfs/dbraw/zinc/62/33/82/787623382.db2.gz CNIDARYOHJMPDV-SMDDNHRTSA-N 0 3 316.361 2.240 20 5 DEBDHN CCN(C)C(C)(C)C(=O)NCCNc1ccc(C)cc1[N+](=O)[O-] ZINC001093953337 792658832 /nfs/dbraw/zinc/65/88/32/792658832.db2.gz YFGFZVITLLRPJG-UHFFFAOYSA-N 0 3 322.409 2.162 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1C[C@H](CO)C[C@H](F)C1)CC2 ZINC001172908879 793525323 /nfs/dbraw/zinc/52/53/23/793525323.db2.gz PBYJIYGIJOFNBH-UHOFOFEASA-N 0 3 322.380 2.495 20 5 DEBDHN CC(=O)N1CCCN([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173228935 793644958 /nfs/dbraw/zinc/64/49/58/793644958.db2.gz NWOOXSYPVIGHFI-ZDUSSCGKSA-N 0 3 305.378 2.080 20 5 DEBDHN NCc1cn(-c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)cn1 ZINC001154910718 797638327 /nfs/dbraw/zinc/63/83/27/797638327.db2.gz NVHQSFGKVZCMMN-UHFFFAOYSA-N 0 3 313.292 2.440 20 5 DEBDHN Cc1cc(CN)nn1-c1cc([N+](=O)[O-])cc2c(Cl)ncnc21 ZINC001156045190 797912950 /nfs/dbraw/zinc/91/29/50/797912950.db2.gz YXBGPQAXPLQGNL-UHFFFAOYSA-N 0 3 318.724 2.144 20 5 DEBDHN NCc1nn(-c2cc(Cl)ncc2[N+](=O)[O-])c2ccccc12 ZINC001156855599 798095906 /nfs/dbraw/zinc/09/59/06/798095906.db2.gz FIPMAMYDBHLIDA-UHFFFAOYSA-N 0 3 303.709 2.441 20 5 DEBDHN O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CCN3CC[C@H]3C2)c1 ZINC001158430973 798406627 /nfs/dbraw/zinc/40/66/27/798406627.db2.gz MQCZOLASXXIRSQ-VIFPVBQESA-N 0 3 319.752 2.086 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])c(-n2nc(-c3ccncc3)cc2CN)n1 ZINC001160339112 798677106 /nfs/dbraw/zinc/67/71/06/798677106.db2.gz XFUKTCHSYWJBMY-UHFFFAOYSA-N 0 3 324.344 2.313 20 5 DEBDHN Cc1c(CN2CCC([C@H]3COC(=O)N3)CC2)cccc1[N+](=O)[O-] ZINC000932782982 799933136 /nfs/dbraw/zinc/93/31/36/799933136.db2.gz XYTZQSJGDOSVMM-CQSZACIVSA-N 0 3 319.361 2.224 20 5 DEBDHN CC(C)C[C@H]1CN(C)CCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000933251949 800051711 /nfs/dbraw/zinc/05/17/11/800051711.db2.gz NCMRKURXGCVADH-IRXDYDNUSA-N 0 3 321.421 2.290 20 5 DEBDHN CNC(=O)CCN(C)Cc1ccc2ccc3cccnc3c2n1 ZINC001232221169 801819378 /nfs/dbraw/zinc/81/93/78/801819378.db2.gz GIQWNQCJOWDYFC-UHFFFAOYSA-N 0 3 308.385 2.351 20 5 DEBDHN C[C@H](C[N+](C)(C)C)Oc1cc([O-])cc2c1C(=O)OC(C)(C)O2 ZINC001228079664 803317170 /nfs/dbraw/zinc/31/71/70/803317170.db2.gz QAIKYYZWUBXVRP-SNVBAGLBSA-O 0 3 310.370 2.151 20 5 DEBDHN CO[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC001228137449 803324510 /nfs/dbraw/zinc/32/45/10/803324510.db2.gz DIPQAAOSJBWOJT-GFCCVEGCSA-N 0 3 317.345 2.243 20 5 DEBDHN CC(COC(=O)[C@H](c1cccc(Cl)c1)N(C)C)[N+](=O)[O-] ZINC001344996661 1150857457 /nfs/dbraw/zinc/85/74/57/1150857457.db2.gz HDHGLTSYZJWLMB-SKDRFNHKSA-N 0 3 300.742 2.151 20 5 DEBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1C[N@@H+]1CCC2(CCC2)C1 ZINC001607077732 1071288335 /nfs/dbraw/zinc/28/83/35/1071288335.db2.gz QQXYTFMGJSJLTF-UHFFFAOYSA-N 0 3 314.349 2.151 20 5 DEBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1C[N@H+]1CCC2(CCC2)C1 ZINC001607077732 1071288347 /nfs/dbraw/zinc/28/83/47/1071288347.db2.gz QQXYTFMGJSJLTF-UHFFFAOYSA-N 0 3 314.349 2.151 20 5 DEBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1C[N@@H+]1CC2CCC1CC2 ZINC001607084173 1071292529 /nfs/dbraw/zinc/29/25/29/1071292529.db2.gz UGRBCLQFLGAIQK-UHFFFAOYSA-N 0 3 314.349 2.149 20 5 DEBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1C[N@H+]1CC2CCC1CC2 ZINC001607084173 1071292532 /nfs/dbraw/zinc/29/25/32/1071292532.db2.gz UGRBCLQFLGAIQK-UHFFFAOYSA-N 0 3 314.349 2.149 20 5 DEBDHN COC1(OC)CC(CNCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001462668944 1058879880 /nfs/dbraw/zinc/87/98/80/1058879880.db2.gz HYUMKLGGDJJTFU-UHFFFAOYSA-N 0 3 321.333 2.225 20 5 DEBDHN O=[N+]([O-])c1ccc(CCN2CCCC[C@H]2c2c[nH]nn2)cc1 ZINC001578049280 1066968842 /nfs/dbraw/zinc/96/88/42/1066968842.db2.gz UUZXCZYJHDGDEK-HNNXBMFYSA-N 0 3 301.350 2.483 20 5 DEBDHN N[C@@H](C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C1CCC1 ZINC001580110609 1067497079 /nfs/dbraw/zinc/49/70/79/1067497079.db2.gz XMWOIOLRWNSNMS-GDBMZVCRSA-N 0 3 317.389 2.428 20 5 DEBDHN N[C@@H](C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)C1CCC1 ZINC001580114069 1067497875 /nfs/dbraw/zinc/49/78/75/1067497875.db2.gz WCWIFDSAKUDLKM-GFCCVEGCSA-N 0 3 315.732 2.131 20 5 DEBDHN Cc1c[nH]cc1C(=O)N(C)CCNCc1cccc([N+](=O)[O-])c1 ZINC001267071099 1078546130 /nfs/dbraw/zinc/54/61/30/1078546130.db2.gz DLGFHTVYJJSLHS-UHFFFAOYSA-N 0 3 316.361 2.093 20 5 DEBDHN C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590191058 1076580383 /nfs/dbraw/zinc/58/03/83/1076580383.db2.gz OQJRJDZAJUXCID-ZJUUUORDSA-N 0 3 302.338 2.005 20 5 DEBDHN C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590191058 1076580389 /nfs/dbraw/zinc/58/03/89/1076580389.db2.gz OQJRJDZAJUXCID-ZJUUUORDSA-N 0 3 302.338 2.005 20 5 DEBDHN C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590191058 1076580394 /nfs/dbraw/zinc/58/03/94/1076580394.db2.gz OQJRJDZAJUXCID-ZJUUUORDSA-N 0 3 302.338 2.005 20 5 DEBDHN C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590191058 1076580396 /nfs/dbraw/zinc/58/03/96/1076580396.db2.gz OQJRJDZAJUXCID-ZJUUUORDSA-N 0 3 302.338 2.005 20 5 DEBDHN CN(C)[C@H](CNc1nn(C)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC001651277837 1079799411 /nfs/dbraw/zinc/79/94/11/1079799411.db2.gz DDNNDUWFUJJEHF-GFCCVEGCSA-N 0 3 307.329 2.182 20 5 DEBDHN CC(C)(C)/C=C/C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001124882692 1080510022 /nfs/dbraw/zinc/51/00/22/1080510022.db2.gz FTWTZWXXOZUESO-CMDGGOBGSA-N 0 3 305.378 2.403 20 5 DEBDHN Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H]2N(C)CCCC2(C)C)n1 ZINC001128652768 1086316251 /nfs/dbraw/zinc/31/62/51/1086316251.db2.gz QFRUSVQUDYGAJT-CQSZACIVSA-N 0 3 320.393 2.148 20 5 DEBDHN CC(C)(C)N1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001253448673 1142872445 /nfs/dbraw/zinc/87/24/45/1142872445.db2.gz IBLQIZRLPPEQFG-OAHLLOKOSA-N 0 3 307.394 2.044 20 5 DEBDHN NCc1cncn1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254465217 1143129973 /nfs/dbraw/zinc/12/99/73/1143129973.db2.gz UPRNRPPGXUWITI-UHFFFAOYSA-N 0 3 301.350 2.092 20 5 DEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H](CO)c1cccnc1 ZINC001254549880 1143244769 /nfs/dbraw/zinc/24/47/69/1143244769.db2.gz YFHHAWYYYNAQOP-IUODEOHRSA-N 0 3 301.346 2.244 20 5 DEBDHN CC(=O)N(C)[C@H]1CCN([C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254566357 1143250283 /nfs/dbraw/zinc/25/02/83/1143250283.db2.gz STXAMEXJUDDDSU-WFASDCNBSA-N 0 3 305.378 2.078 20 5 DEBDHN O=C1Nc2ccccc2C[C@@H]1N[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581794 1143265765 /nfs/dbraw/zinc/26/57/65/1143265765.db2.gz MTFQGTHPMLCXRE-YOEHRIQHSA-N 0 3 323.352 2.215 20 5 DEBDHN O=C(NCc1cccc([N+](=O)[O-])c1)c1cc2c(s1)CNCC2 ZINC001341340847 1143586849 /nfs/dbraw/zinc/58/68/49/1143586849.db2.gz AFLFHCMXJQRJKX-UHFFFAOYSA-N 0 3 317.370 2.232 20 5 DEBDHN COc1cc(Br)cc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC001263502002 1144377926 /nfs/dbraw/zinc/37/79/26/1144377926.db2.gz ICUCKFAWGQIWQU-ZETCQYMHSA-N 0 3 318.123 2.280 20 5 DEBDHN CN1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001339268032 1147399404 /nfs/dbraw/zinc/39/94/04/1147399404.db2.gz WATSAWAYCIYIRS-OWCLPIDISA-N 0 3 317.389 2.299 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(NCCCN2CCCO[C@@H](C)C2)n1 ZINC000278297371 214075200 /nfs/dbraw/zinc/07/52/00/214075200.db2.gz XNWJLNAECHRTEC-ZDUSSCGKSA-N 0 3 308.382 2.211 20 5 DEBDHN C[C@H]1CN(C2CCOCC2)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000278381774 214129496 /nfs/dbraw/zinc/12/94/96/214129496.db2.gz CXUQFQQNBKVZQB-AWEZNQCLSA-N 0 3 319.405 2.280 20 5 DEBDHN COc1ccc(OCCN(C)CC2(O)CCCC2)c([N+](=O)[O-])c1 ZINC000152229631 282138330 /nfs/dbraw/zinc/13/83/30/282138330.db2.gz HTERWXRERGPYAR-UHFFFAOYSA-N 0 3 324.377 2.219 20 5 DEBDHN CC[C@H](C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)N(C)C ZINC000413633269 529592462 /nfs/dbraw/zinc/59/24/62/529592462.db2.gz UVQBRZBJHHFXCM-OAHLLOKOSA-N 0 3 305.378 2.426 20 5 DEBDHN C[C@H](N[C@H]1CCC[C@H]1CCO)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000279217391 214711600 /nfs/dbraw/zinc/71/16/00/214711600.db2.gz HRQFAWZLZDWSFZ-HUBLWGQQSA-N 0 3 321.377 2.063 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000115436335 185683656 /nfs/dbraw/zinc/68/36/56/185683656.db2.gz GBXHTUILTMUJAJ-GFCCVEGCSA-N 0 3 321.377 2.017 20 5 DEBDHN CCO[C@@H]1C[C@@H](NCc2cccc([N+](=O)[O-])c2)[C@@]12CCCO2 ZINC000272678474 210082987 /nfs/dbraw/zinc/08/29/87/210082987.db2.gz MKUSEGSJDLKGGD-OAGGEKHMSA-N 0 3 306.362 2.411 20 5 DEBDHN C[C@@H](CN(C)C)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000286922160 219226903 /nfs/dbraw/zinc/22/69/03/219226903.db2.gz KUWFVROFAJUGKN-QMMMGPOBSA-N 0 3 300.746 2.320 20 5 DEBDHN C[C@H](NC(=O)NC[C@H]1CCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000139725423 186024120 /nfs/dbraw/zinc/02/41/20/186024120.db2.gz GZNDWDBXUSCZSF-SMDDNHRTSA-N 0 3 306.366 2.049 20 5 DEBDHN Cc1c(CC(=O)N(C)CC2(N(C)C)CCC2)cccc1[N+](=O)[O-] ZINC000188016906 186244385 /nfs/dbraw/zinc/24/43/85/186244385.db2.gz YNIPEBIWSXEXOX-UHFFFAOYSA-N 0 3 319.405 2.388 20 5 DEBDHN Cc1cccc(C(=O)N(C)CC2(N(C)C)CCC2)c1[N+](=O)[O-] ZINC000188044911 186249294 /nfs/dbraw/zinc/24/92/94/186249294.db2.gz OHTZUUKAJRKXQT-UHFFFAOYSA-N 0 3 305.378 2.460 20 5 DEBDHN CCN(C)CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000171982887 198019771 /nfs/dbraw/zinc/01/97/71/198019771.db2.gz PNSSPUAAAWNCAF-UHFFFAOYSA-N 0 3 307.375 2.491 20 5 DEBDHN COCCCN(C)CCNc1ncc([N+](=O)[O-])cc1Cl ZINC000172771453 198147991 /nfs/dbraw/zinc/14/79/91/198147991.db2.gz QVSVODJRNSIIHM-UHFFFAOYSA-N 0 3 302.762 2.023 20 5 DEBDHN COc1ccc(OCCN2CCCC[C@@H]2[C@H](C)O)c([N+](=O)[O-])c1 ZINC000173710744 198243559 /nfs/dbraw/zinc/24/35/59/198243559.db2.gz BWTKQCSLZMRQPH-GXTWGEPZSA-N 0 3 324.377 2.218 20 5 DEBDHN O=[N+]([O-])c1cnn(CCN2CC[C@@H](Cc3ccc(F)cc3)C2)c1 ZINC000174869132 198395304 /nfs/dbraw/zinc/39/53/04/198395304.db2.gz GTYKEFCVPRBBNB-AWEZNQCLSA-N 0 3 318.352 2.495 20 5 DEBDHN CN(Cc1ccccc1)C[C@H](O)COc1ccc([N+](=O)[O-])cc1 ZINC000006734293 353997515 /nfs/dbraw/zinc/99/75/15/353997515.db2.gz QDDGABNVWBAISS-INIZCTEOSA-N 0 3 316.357 2.467 20 5 DEBDHN CN1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000043343058 354219800 /nfs/dbraw/zinc/21/98/00/354219800.db2.gz XIUVDGXPNHNZLE-UHFFFAOYSA-N 0 3 312.757 2.464 20 5 DEBDHN COc1ccc(C(=O)NCCN2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000047145649 354308485 /nfs/dbraw/zinc/30/84/85/354308485.db2.gz KYTBCTRURQBHRJ-GFCCVEGCSA-N 0 3 321.377 2.065 20 5 DEBDHN COc1ccc(CN2CCC(c3nc[nH]n3)CC2)cc1[N+](=O)[O-] ZINC000083424281 355466833 /nfs/dbraw/zinc/46/68/33/355466833.db2.gz QYWBMQOIYRYKMP-UHFFFAOYSA-N 0 3 317.349 2.101 20 5 DEBDHN C[C@H](CCN1CCOCC1)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000090048080 355553646 /nfs/dbraw/zinc/55/36/46/355553646.db2.gz VODXKGIQJBNQJA-ZIAGYGMSSA-N 0 3 307.394 2.356 20 5 DEBDHN COC(=O)[C@H](C)CN(CCOc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000171299265 356000030 /nfs/dbraw/zinc/00/00/30/356000030.db2.gz MSCXKEAAQTUUNJ-GFCCVEGCSA-N 0 3 322.361 2.247 20 5 DEBDHN CC[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000182298132 356118926 /nfs/dbraw/zinc/11/89/26/356118926.db2.gz FFYFBTXLURBYSX-FZMZJTMJSA-N 0 3 307.350 2.081 20 5 DEBDHN CC[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000182298140 356119224 /nfs/dbraw/zinc/11/92/24/356119224.db2.gz FFYFBTXLURBYSX-RISCZKNCSA-N 0 3 307.350 2.081 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000618455983 363498430 /nfs/dbraw/zinc/49/84/30/363498430.db2.gz UMCMBPWWJPUVKJ-CYBMUJFWSA-N 0 3 303.362 2.117 20 5 DEBDHN Cc1cccc(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000578854423 356882741 /nfs/dbraw/zinc/88/27/41/356882741.db2.gz IKZUERLSXVVVAR-OAHLLOKOSA-N 0 3 316.357 2.433 20 5 DEBDHN C[C@@H](CCCCO)NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590656196 357573927 /nfs/dbraw/zinc/57/39/27/357573927.db2.gz URRUPTKVLUDZNJ-NSHDSACASA-N 0 3 310.350 2.007 20 5 DEBDHN CCO[C@H]1C[C@H](NCc2c([N+](=O)[O-])ncn2C)C12CCCC2 ZINC000590739511 357595473 /nfs/dbraw/zinc/59/54/73/357595473.db2.gz OQGTUIXDRBOENO-STQMWFEESA-N 0 3 308.382 2.156 20 5 DEBDHN COCC1(N(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000591021406 357662291 /nfs/dbraw/zinc/66/22/91/357662291.db2.gz HEAZKHDBVVYUAS-UHFFFAOYSA-N 0 3 307.350 2.034 20 5 DEBDHN O=C1NCCC[C@H]1CN[C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000591348200 357710215 /nfs/dbraw/zinc/71/02/15/357710215.db2.gz JAFDIBVGIBSUNI-BBRMVZONSA-N 0 3 317.389 2.478 20 5 DEBDHN O=C1NCCC[C@H]1CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000591245193 357694038 /nfs/dbraw/zinc/69/40/38/357694038.db2.gz QREAYGHGUBKHJM-SWLSCSKDSA-N 0 3 303.362 2.088 20 5 DEBDHN CC[C@H](NCc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@H](O)C(C)C ZINC000591266018 357696829 /nfs/dbraw/zinc/69/68/29/357696829.db2.gz NBPFTRPZWMUYBV-BLLLJJGKSA-N 0 3 324.377 2.251 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cnc3c(c2)CNCC3)c1 ZINC000591681469 357750979 /nfs/dbraw/zinc/75/09/79/357750979.db2.gz WZZZAHXSOFSGIN-UHFFFAOYSA-N 0 3 312.329 2.196 20 5 DEBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593470136 358086431 /nfs/dbraw/zinc/08/64/31/358086431.db2.gz PXPKVABRXMJQFY-GFCCVEGCSA-N 0 3 323.368 2.077 20 5 DEBDHN C[C@@H](CCO)N(C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000593694692 358126021 /nfs/dbraw/zinc/12/60/21/358126021.db2.gz PYBXHNWRSHMUML-LBPRGKRZSA-N 0 3 318.377 2.198 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC[C@]1(O)CCCOC1 ZINC000593719617 358129793 /nfs/dbraw/zinc/12/97/93/358129793.db2.gz GEKJYDVKGXQIHF-CZUORRHYSA-N 0 3 308.378 2.485 20 5 DEBDHN Cc1c([C@H](C)NCC[C@@]2(O)CCCOC2)cccc1[N+](=O)[O-] ZINC000593719411 358130003 /nfs/dbraw/zinc/13/00/03/358130003.db2.gz DAEHSSJEADIUNB-BBRMVZONSA-N 0 3 308.378 2.485 20 5 DEBDHN CSc1ccc(C(=O)N2C[C@@H](C)NC[C@H]2C)cc1[N+](=O)[O-] ZINC000237308734 202225801 /nfs/dbraw/zinc/22/58/01/202225801.db2.gz NUDWVZOFWYLHCZ-NXEZZACHSA-N 0 3 309.391 2.139 20 5 DEBDHN NC(=O)c1cccc([N+](=O)[O-])c1N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594599266 358301983 /nfs/dbraw/zinc/30/19/83/358301983.db2.gz IQKXWZCVDXBRKO-CHWSQXEVSA-N 0 3 318.377 2.123 20 5 DEBDHN CCn1cnnc1CCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594498258 358284518 /nfs/dbraw/zinc/28/45/18/358284518.db2.gz IRQSBHRPRQNBQX-ZDUSSCGKSA-N 0 3 301.350 2.026 20 5 DEBDHN CCCN1CC[C@@H](NCc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000594992760 358374922 /nfs/dbraw/zinc/37/49/22/358374922.db2.gz XCYDKAGJCKVIOH-CYBMUJFWSA-N 0 3 323.393 2.186 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H](C)CC[S@@](C)=O ZINC000595029578 358380521 /nfs/dbraw/zinc/38/05/21/358380521.db2.gz WUTCCDDZLNGKKO-ZPMVXHMNSA-N 0 3 314.407 2.411 20 5 DEBDHN CNC(=O)[C@@H]1CCC[C@H]1N[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595036382 358381180 /nfs/dbraw/zinc/38/11/80/358381180.db2.gz RVIIVUFDOXNBFJ-ZLKJLUDKSA-N 0 3 321.377 2.169 20 5 DEBDHN COC(=O)COc1ccc(CN[C@]23C[C@H]2CCC3)cc1[N+](=O)[O-] ZINC000594953583 358367438 /nfs/dbraw/zinc/36/74/38/358367438.db2.gz VEPQBYXDURAHJF-MLGOLLRUSA-N 0 3 320.345 2.179 20 5 DEBDHN O=c1[n-]ccc(N2CCC[C@@H]([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000596135099 358619396 /nfs/dbraw/zinc/61/93/96/358619396.db2.gz RFOSZZPSDHMKGO-GFCCVEGCSA-N 0 3 306.366 2.150 20 5 DEBDHN O=[N+]([O-])c1cncc(Cl)c1NC1CCN(C2CCC2)CC1 ZINC000596257612 358653831 /nfs/dbraw/zinc/65/38/31/358653831.db2.gz CDVWWGYZVSQXSE-UHFFFAOYSA-N 0 3 310.785 2.494 20 5 DEBDHN C[C@H](CN1CCC(C)CC1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000598261930 359139814 /nfs/dbraw/zinc/13/98/14/359139814.db2.gz IXOMTNLWLSWOQJ-CYBMUJFWSA-N 0 3 305.378 2.445 20 5 DEBDHN CCN(C(=O)c1cccc([N+](=O)[O-])c1C)C1CCN(C)CC1 ZINC000599986509 359629844 /nfs/dbraw/zinc/62/98/44/359629844.db2.gz VYASJVNSJRGXDL-UHFFFAOYSA-N 0 3 305.378 2.460 20 5 DEBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000187313939 200093778 /nfs/dbraw/zinc/09/37/78/200093778.db2.gz XTYNGQVSEYNWNQ-VXGBXAGGSA-N 0 3 320.393 2.027 20 5 DEBDHN CN(C)C1(CN(C)C(=O)Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000188083454 200191576 /nfs/dbraw/zinc/19/15/76/200191576.db2.gz DCPNGSPHMJYRIF-UHFFFAOYSA-N 0 3 305.378 2.080 20 5 DEBDHN C[C@H]1CCCN(CCNC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000600997975 359887476 /nfs/dbraw/zinc/88/74/76/359887476.db2.gz PKRUZRVIMSVIKZ-NSHDSACASA-N 0 3 309.341 2.196 20 5 DEBDHN Cn1cc(CNC[C@H]2CCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237929018 202394571 /nfs/dbraw/zinc/39/45/71/202394571.db2.gz UECSTMKPXAFJCY-OAHLLOKOSA-N 0 3 316.361 2.264 20 5 DEBDHN CCN1CCCC[C@@H]1CNc1nc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000281167966 216125981 /nfs/dbraw/zinc/12/59/81/216125981.db2.gz MCMSRESCKVCVRP-LLVKDONJSA-N 0 3 322.365 2.063 20 5 DEBDHN CO[C@@](C)(CNCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000602637144 360471343 /nfs/dbraw/zinc/47/13/43/360471343.db2.gz KWPPTUWEZKGVEO-HNNXBMFYSA-N 0 3 304.350 2.376 20 5 DEBDHN O=[N+]([O-])c1ccc2oc(CN[C@@H]3CCn4ccnc4C3)nc2c1 ZINC000602623309 360461138 /nfs/dbraw/zinc/46/11/38/360461138.db2.gz OMHWJWYDGQEBCY-SNVBAGLBSA-N 0 3 313.317 2.037 20 5 DEBDHN COc1cccc([C@H](C)NCCn2c(C)ncc2[N+](=O)[O-])c1 ZINC000602802649 360562126 /nfs/dbraw/zinc/56/21/26/360562126.db2.gz SHJNKDCTMMLXPI-NSHDSACASA-N 0 3 304.350 2.459 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@H](CCCO)c1ccccc1 ZINC000602807139 360564272 /nfs/dbraw/zinc/56/42/72/360564272.db2.gz SIZDGNVCOXOWHJ-OAHLLOKOSA-N 0 3 318.377 2.203 20 5 DEBDHN CC(C)(C)[C@@H](N)c1cn(CCc2ccc([N+](=O)[O-])cc2)nn1 ZINC000603193675 360741271 /nfs/dbraw/zinc/74/12/71/360741271.db2.gz BCVCDXNHWGLOPZ-AWEZNQCLSA-N 0 3 303.366 2.475 20 5 DEBDHN COC(=O)C[C@@H]1CCCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000604305053 360895249 /nfs/dbraw/zinc/89/52/49/360895249.db2.gz QHBSGWNHADJOMW-ZDUSSCGKSA-N 0 3 322.361 2.391 20 5 DEBDHN Cc1cc(C(=O)N[C@@H]2CCN(CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000609382812 361307205 /nfs/dbraw/zinc/30/72/05/361307205.db2.gz FCLCGPYSDSKXAQ-CQSZACIVSA-N 0 3 303.362 2.117 20 5 DEBDHN C[C@H](NC[C@H]1CNc2ccnn2C1)c1ccccc1[N+](=O)[O-] ZINC000619264414 363751177 /nfs/dbraw/zinc/75/11/77/363751177.db2.gz DOSZACOSKKUXEF-RYUDHWBXSA-N 0 3 301.350 2.184 20 5 DEBDHN COCC1(N(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000611178836 361542068 /nfs/dbraw/zinc/54/20/68/361542068.db2.gz PRZHFGQDXLDLDH-UHFFFAOYSA-N 0 3 321.377 2.343 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CNC1(CO)CCCCC1 ZINC000611462850 361603069 /nfs/dbraw/zinc/60/30/69/361603069.db2.gz FUSGNHWCVLRIDS-UHFFFAOYSA-N 0 3 321.377 2.127 20 5 DEBDHN C[C@@H]1C[C@H](CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000611293163 361573547 /nfs/dbraw/zinc/57/35/47/361573547.db2.gz UDOIZHACBHLAKV-VXGBXAGGSA-N 0 3 322.361 2.271 20 5 DEBDHN COC(=O)c1ccc(CNCCc2ccc([N+](=O)[O-])cc2)o1 ZINC000194416270 201222793 /nfs/dbraw/zinc/22/27/93/201222793.db2.gz QFGQXNNPPTXURO-UHFFFAOYSA-N 0 3 304.302 2.307 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2CC[C@H](C1)N2C ZINC000194782218 201287347 /nfs/dbraw/zinc/28/73/47/201287347.db2.gz FEGDVVUXSULZFI-QWHCGFSZSA-N 0 3 303.362 2.212 20 5 DEBDHN CCN1CCC(N(C)c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611701520 361660579 /nfs/dbraw/zinc/66/05/79/361660579.db2.gz JWPPXAVVEHDRHO-UHFFFAOYSA-N 0 3 315.377 2.459 20 5 DEBDHN CC[C@H]1CN(C)CCCN1C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000619567006 363827230 /nfs/dbraw/zinc/82/72/30/363827230.db2.gz HGUYUFIAOMWOKC-AWEZNQCLSA-N 0 3 305.378 2.460 20 5 DEBDHN CN1CC=C(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000271832677 209253210 /nfs/dbraw/zinc/25/32/10/209253210.db2.gz PABSSSRUPKHSET-UHFFFAOYSA-N 0 3 309.753 2.240 20 5 DEBDHN O=[N+]([O-])c1cc(CN[C@H]2CCC[C@H]2CCO)c2c(c1)COCO2 ZINC000275026812 212081059 /nfs/dbraw/zinc/08/10/59/212081059.db2.gz AAPREWPDRSHZRI-NHYWBVRUSA-N 0 3 322.361 2.102 20 5 DEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1C[C@@H]2CCCCN2C1=O ZINC000453414543 245125148 /nfs/dbraw/zinc/12/51/48/245125148.db2.gz BFQJLFFNUKLYCJ-SNPRPXQTSA-N 0 3 317.389 2.269 20 5 DEBDHN O=[N+]([O-])c1cccc(CNC[C@@H]2CCC3(CCOCC3)[C@@H]2O)c1 ZINC000282935390 217337631 /nfs/dbraw/zinc/33/76/31/217337631.db2.gz WWWVXQAWPZSRSP-GOEBONIOSA-N 0 3 320.389 2.252 20 5 DEBDHN CCOCC(C)(C)C[NH2+]Cc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000288566469 220242393 /nfs/dbraw/zinc/24/23/93/220242393.db2.gz MSCVHEHBYKLNPR-UHFFFAOYSA-N 0 3 312.366 2.461 20 5 DEBDHN CC1=CCN(CCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000492558220 249089298 /nfs/dbraw/zinc/08/92/98/249089298.db2.gz FKQVNUKHIIGKKI-QPJJXVBHSA-N 0 3 315.373 2.376 20 5 DEBDHN CCN1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000273523912 210841972 /nfs/dbraw/zinc/84/19/72/210841972.db2.gz ZFKSEYIXDUCXCZ-UHFFFAOYSA-N 0 3 310.329 2.340 20 5 DEBDHN CN(CCN1CCCC1)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000063052554 184268539 /nfs/dbraw/zinc/26/85/39/184268539.db2.gz AHXFZPYTPYHCGI-UHFFFAOYSA-N 0 3 311.769 2.416 20 5 DEBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CNCCO2)cc1C(F)(F)F ZINC000157412954 197185398 /nfs/dbraw/zinc/18/53/98/197185398.db2.gz SQNWCQHBKHRFGF-VIFPVBQESA-N 0 3 305.256 2.014 20 5 DEBDHN Cc1cc(C(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000157027622 197156058 /nfs/dbraw/zinc/15/60/58/197156058.db2.gz DMUUWAMVFUIZTH-ZBFHGGJFSA-N 0 3 317.389 2.460 20 5 DEBDHN C[C@@H](NCC(C)(C)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000154969230 197008693 /nfs/dbraw/zinc/00/86/93/197008693.db2.gz JRUYDWZFPOTRQZ-CYBMUJFWSA-N 0 3 307.394 2.356 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC(C)(C)CN2CCCC2)c1 ZINC000411085874 533213270 /nfs/dbraw/zinc/21/32/70/533213270.db2.gz MSNGQYJQKAHMIT-UHFFFAOYSA-N 0 3 321.377 2.208 20 5 DEBDHN CN(C)CCCCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000294892927 224291669 /nfs/dbraw/zinc/29/16/69/224291669.db2.gz GCEFGUJOBWVSAH-UHFFFAOYSA-N 0 3 321.377 2.016 20 5 DEBDHN Cc1cc(C(=O)NCCN2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000122039188 195393422 /nfs/dbraw/zinc/39/34/22/195393422.db2.gz JJSNVSQMZRBCIE-GFCCVEGCSA-N 0 3 305.378 2.365 20 5 DEBDHN C[C@H]1C[C@@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CCN1C ZINC000340696304 132161111 /nfs/dbraw/zinc/16/11/11/132161111.db2.gz LGZXXOYEBRJONC-STQMWFEESA-N 0 3 319.405 2.471 20 5 DEBDHN C[C@@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000355345741 133019848 /nfs/dbraw/zinc/01/98/48/133019848.db2.gz KMFMRKOVMIYSIN-AGIUHOORSA-N 0 3 321.377 2.327 20 5 DEBDHN CC[C@H](C)N(C)Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000355600339 133036709 /nfs/dbraw/zinc/03/67/09/133036709.db2.gz FLAZLPVCVMIPFJ-NSHDSACASA-N 0 3 310.350 2.377 20 5 DEBDHN COC(=O)COc1ccc(CN(C)CC2CCC2)cc1[N+](=O)[O-] ZINC000355607033 133037492 /nfs/dbraw/zinc/03/74/92/133037492.db2.gz MFHAULZHWGKTOJ-UHFFFAOYSA-N 0 3 322.361 2.379 20 5 DEBDHN CC[C@@H]1CCN(Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000355753299 133046421 /nfs/dbraw/zinc/04/64/21/133046421.db2.gz ZOOSJGULVHUNEF-GFCCVEGCSA-N 0 3 322.361 2.379 20 5 DEBDHN C[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)N(C)C ZINC000358093319 133120765 /nfs/dbraw/zinc/12/07/65/133120765.db2.gz MESKIQMMFXFECY-JTQLQIEISA-N 0 3 311.357 2.078 20 5 DEBDHN CNC(=O)[C@@H]1CCC[C@H]1N[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000358267457 133132118 /nfs/dbraw/zinc/13/21/18/133132118.db2.gz PXWPCBGYEHISNZ-UXIGCNINSA-N 0 3 305.378 2.469 20 5 DEBDHN C[C@@H]1C[C@@H](C)CN(CCn2cc(Cl)cc([N+](=O)[O-])c2=O)C1 ZINC000563438227 292057216 /nfs/dbraw/zinc/05/72/16/292057216.db2.gz DRRVKDMZYKUAFR-GHMZBOCLSA-N 0 3 313.785 2.388 20 5 DEBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@@H]3OCCC[C@@H]3C2)c1 ZINC000246236298 145096120 /nfs/dbraw/zinc/09/61/20/145096120.db2.gz HCVZKELCHKZCFN-BMFZPTHFSA-N 0 3 306.362 2.129 20 5 DEBDHN CC(=O)N1CC[C@H](CN(C)C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255672121 145204601 /nfs/dbraw/zinc/20/46/01/145204601.db2.gz HQPFJIWRPSIPMQ-ZQMJAJRESA-N 0 3 317.389 2.408 20 5 DEBDHN CCCN1CCC(Nc2nc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000322755427 145379330 /nfs/dbraw/zinc/37/93/30/145379330.db2.gz FGRLCLOGZYMZED-UHFFFAOYSA-N 0 3 322.365 2.063 20 5 DEBDHN C[C@H](CN(C)C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000346229238 146043540 /nfs/dbraw/zinc/04/35/40/146043540.db2.gz RYBBNTFRAMDLAR-SECBINFHSA-N 0 3 307.375 2.489 20 5 DEBDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000346280325 146053479 /nfs/dbraw/zinc/05/34/79/146053479.db2.gz VQDDYQJKMRRSRJ-ZENOOKHLSA-N 0 3 317.389 2.397 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCCN([C@@H](C)CO)CC1 ZINC000346639193 146115540 /nfs/dbraw/zinc/11/55/40/146115540.db2.gz JPGVTDFTQCDVFR-LSDHHAIUSA-N 0 3 321.421 2.353 20 5 DEBDHN Cn1cnc([N+](=O)[O-])c1CN1CCC[C@@H]1[C@@H]1CCCC[C@@]1(C)O ZINC000375456858 148375068 /nfs/dbraw/zinc/37/50/68/148375068.db2.gz BCVPWDYLMYSBLZ-WOSRLPQWSA-N 0 3 322.409 2.234 20 5 DEBDHN CCCCN(C)CCNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000112311636 401738580 /nfs/dbraw/zinc/73/85/80/401738580.db2.gz VJVLUHKXUWQXFX-UHFFFAOYSA-N 0 3 309.366 2.065 20 5 DEBDHN CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000112379884 401742276 /nfs/dbraw/zinc/74/22/76/401742276.db2.gz VJPPAJOEWGISTC-BONVTDFDSA-N 0 3 312.366 2.196 20 5 DEBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])o1)N(C)Cc1ccccc1 ZINC000110354611 401688951 /nfs/dbraw/zinc/68/89/51/401688951.db2.gz JXQMZXALUZNVNX-GFCCVEGCSA-N 0 3 317.345 2.438 20 5 DEBDHN COC(=O)CCN(Cc1ccc(OC)c([N+](=O)[O-])c1)C(C)C ZINC000113508409 401780807 /nfs/dbraw/zinc/78/08/07/401780807.db2.gz DZZVNERSMFZCKD-UHFFFAOYSA-N 0 3 310.350 2.377 20 5 DEBDHN C[C@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)N(C)C1CC1 ZINC000134788736 401914412 /nfs/dbraw/zinc/91/44/12/401914412.db2.gz GKTGXBDGJGTRQG-SECBINFHSA-N 0 3 311.769 2.461 20 5 DEBDHN CC[C@@H](NC[C@@H]1CCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000038083183 401921802 /nfs/dbraw/zinc/92/18/02/401921802.db2.gz RVJFSSKXLLINOG-SMDDNHRTSA-N 0 3 312.391 2.070 20 5 DEBDHN COc1ccc(OCCN2CCC[C@H]([C@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000089932060 401974195 /nfs/dbraw/zinc/97/41/95/401974195.db2.gz SEBIZOSXZULBGC-STQMWFEESA-N 0 3 324.377 2.075 20 5 DEBDHN COc1ccc(OCCN(C)[C@@H]2CCSC2)c([N+](=O)[O-])c1 ZINC000089938018 401974996 /nfs/dbraw/zinc/97/49/96/401974996.db2.gz DKBNQXIOPSYFKL-LLVKDONJSA-N 0 3 312.391 2.420 20 5 DEBDHN Cc1c(CC(=O)N(C)CC2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000120586121 401994712 /nfs/dbraw/zinc/99/47/12/401994712.db2.gz LLIWZEDWVSNYFF-UHFFFAOYSA-N 0 3 319.405 2.246 20 5 DEBDHN CCN1CCCC[C@H]1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000089304359 401941587 /nfs/dbraw/zinc/94/15/87/401941587.db2.gz NNFSQSCYMRKSTI-HNNXBMFYSA-N 0 3 305.378 2.128 20 5 DEBDHN C[C@@H]1CCCN(CCNC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000054794657 402071688 /nfs/dbraw/zinc/07/16/88/402071688.db2.gz MEMOVWDHLNCBBC-LLVKDONJSA-N 0 3 309.341 2.196 20 5 DEBDHN C[C@H]1CCCN(CCNC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000054794659 402072102 /nfs/dbraw/zinc/07/21/02/402072102.db2.gz MEMOVWDHLNCBBC-NSHDSACASA-N 0 3 309.341 2.196 20 5 DEBDHN CN(Cc1ccccc1[N+](=O)[O-])CC(C)(C)CN1CCOCC1 ZINC000123704317 402142711 /nfs/dbraw/zinc/14/27/11/402142711.db2.gz MQMQHDQUGJHSHX-UHFFFAOYSA-N 0 3 321.421 2.385 20 5 DEBDHN COC(=O)CCN(CC(C)C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153822554 402172315 /nfs/dbraw/zinc/17/23/15/402172315.db2.gz BVYGHYBPCHVUQC-OAHLLOKOSA-N 0 3 324.377 2.149 20 5 DEBDHN COc1cc(C[NH2+][C@H]2CCOC(C)(C)C2)c([N+](=O)[O-])cc1[O-] ZINC000160558911 402351065 /nfs/dbraw/zinc/35/10/65/402351065.db2.gz BRTMISDMSRDWJO-NSHDSACASA-N 0 3 310.350 2.356 20 5 DEBDHN Cc1cccc(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)c1[N+](=O)[O-] ZINC000177041282 402362898 /nfs/dbraw/zinc/36/28/98/402362898.db2.gz GNKNNEFRKIXEQO-VXGBXAGGSA-N 0 3 303.362 2.258 20 5 DEBDHN Cc1cccc(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)c1[N+](=O)[O-] ZINC000177041267 402362990 /nfs/dbraw/zinc/36/29/90/402362990.db2.gz GNKNNEFRKIXEQO-RYUDHWBXSA-N 0 3 303.362 2.258 20 5 DEBDHN Cc1c(NC(=O)[C@@H](C)N[C@H](CCO)C(C)C)cccc1[N+](=O)[O-] ZINC000162046191 402407774 /nfs/dbraw/zinc/40/77/74/402407774.db2.gz RIBORPDVUBLRSN-CHWSQXEVSA-N 0 3 323.393 2.227 20 5 DEBDHN CCO[C@@H]1C[C@](CO)(NCc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000186588463 402445161 /nfs/dbraw/zinc/44/51/61/402445161.db2.gz PMWRBABSJSKLIK-GDBMZVCRSA-N 0 3 308.378 2.251 20 5 DEBDHN Cc1c(C(=O)N2CCC[C@H]3CN(C)CC[C@H]32)cccc1[N+](=O)[O-] ZINC000164614313 402465518 /nfs/dbraw/zinc/46/55/18/402465518.db2.gz KASANQNTZZAJHL-XJKSGUPXSA-N 0 3 317.389 2.460 20 5 DEBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000178177484 402468627 /nfs/dbraw/zinc/46/86/27/402468627.db2.gz UVLFMLJJYJIBRS-NWDGAFQWSA-N 0 3 320.393 2.027 20 5 DEBDHN C[C@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CCCO1 ZINC000170774703 402523658 /nfs/dbraw/zinc/52/36/58/402523658.db2.gz JVTUOKUYNBNNHI-LBPRGKRZSA-N 0 3 307.350 2.034 20 5 DEBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CCCN(C)C1 ZINC000171768655 402620401 /nfs/dbraw/zinc/62/04/01/402620401.db2.gz MILHZPZWINDCDD-ZDUSSCGKSA-N 0 3 320.393 2.078 20 5 DEBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN[C@H](C)[C@H]1C ZINC000262776151 402731088 /nfs/dbraw/zinc/73/10/88/402731088.db2.gz KRJUBYKHPDOIGS-UTUOFQBUSA-N 0 3 323.418 2.284 20 5 DEBDHN CCOC1CC(O)(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000278420713 402865769 /nfs/dbraw/zinc/86/57/69/402865769.db2.gz IMVXJRNRPWESMU-WIHSUSGWSA-N 0 3 320.389 2.492 20 5 DEBDHN COC1CCC(N(C)CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000265170616 402897941 /nfs/dbraw/zinc/89/79/41/402897941.db2.gz BELRQVGIGDIPJB-UHFFFAOYSA-N 0 3 321.377 2.423 20 5 DEBDHN CC[C@H](C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1)N(CC)CC ZINC000265453261 402920177 /nfs/dbraw/zinc/92/01/77/402920177.db2.gz DGNIEEVRNFMVRC-CYBMUJFWSA-N 0 3 323.393 2.340 20 5 DEBDHN CC(C)(C)[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000265466812 402921372 /nfs/dbraw/zinc/92/13/72/402921372.db2.gz OHADCYVFVHPFLF-OAHLLOKOSA-N 0 3 307.394 2.124 20 5 DEBDHN C[C@@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CN1C1CC1 ZINC000273343498 402996097 /nfs/dbraw/zinc/99/60/97/402996097.db2.gz AZEMVWXZTYKCAA-ZJUUUORDSA-N 0 3 322.340 2.481 20 5 DEBDHN C[C@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CN1C1CC1 ZINC000273343497 402996211 /nfs/dbraw/zinc/99/62/11/402996211.db2.gz AZEMVWXZTYKCAA-VHSXEESVSA-N 0 3 322.340 2.481 20 5 DEBDHN CC(C)C[C@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273421358 403003609 /nfs/dbraw/zinc/00/36/09/403003609.db2.gz JJPDVTYBPSWFAZ-LBPRGKRZSA-N 0 3 314.407 2.393 20 5 DEBDHN C[C@@H]1CC[C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000273428944 403004197 /nfs/dbraw/zinc/00/41/97/403004197.db2.gz KTLQCPSEFBGWKT-VXGBXAGGSA-N 0 3 312.391 2.147 20 5 DEBDHN O=[N+]([O-])c1ccn(CCN2CCC(c3ccc(O)cc3)CC2)n1 ZINC000267082578 403014019 /nfs/dbraw/zinc/01/40/19/403014019.db2.gz NKVXESJPTKFYOD-UHFFFAOYSA-N 0 3 316.361 2.377 20 5 DEBDHN Cc1cc(C(=O)NC[C@]2(N(C)C)CCSC2)ccc1[N+](=O)[O-] ZINC000267163022 403021073 /nfs/dbraw/zinc/02/10/73/403021073.db2.gz ZEJPQZLVIONDTH-OAHLLOKOSA-N 0 3 323.418 2.070 20 5 DEBDHN C[C@]1(NCC(=O)Nc2ccccc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000273115724 402972922 /nfs/dbraw/zinc/97/29/22/402972922.db2.gz YMOCHFXFJLYUII-CVEARBPZSA-N 0 3 319.361 2.081 20 5 DEBDHN C[C@H](CCN1CCN(C)CC1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000274415105 403053278 /nfs/dbraw/zinc/05/32/78/403053278.db2.gz AYBDYMWDCAWUEB-GFCCVEGCSA-N 0 3 310.373 2.172 20 5 DEBDHN CN1CCC(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000268213127 403062619 /nfs/dbraw/zinc/06/26/19/403062619.db2.gz ILSVAWWBCQRTPM-UHFFFAOYSA-N 0 3 311.769 2.206 20 5 DEBDHN Cc1nc([C@@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3)C2)n[nH]1 ZINC000268481327 403086962 /nfs/dbraw/zinc/08/69/62/403086962.db2.gz OAKYUHDGFBSXRE-CYBMUJFWSA-N 0 3 301.350 2.401 20 5 DEBDHN Cc1n[nH]c([C@@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000268481327 403086963 /nfs/dbraw/zinc/08/69/63/403086963.db2.gz OAKYUHDGFBSXRE-CYBMUJFWSA-N 0 3 301.350 2.401 20 5 DEBDHN Cc1nnc([C@@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000268481327 403086964 /nfs/dbraw/zinc/08/69/64/403086964.db2.gz OAKYUHDGFBSXRE-CYBMUJFWSA-N 0 3 301.350 2.401 20 5 DEBDHN CC[C@@H](NC[C@@H](O)c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000268881919 403120546 /nfs/dbraw/zinc/12/05/46/403120546.db2.gz KEJWGJHCONVBIP-HUUCEWRRSA-N 0 3 304.350 2.103 20 5 DEBDHN CC[C@@H](NC[C@H](O)c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000268881915 403120971 /nfs/dbraw/zinc/12/09/71/403120971.db2.gz KEJWGJHCONVBIP-CABCVRRESA-N 0 3 304.350 2.103 20 5 DEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H]1CCCN1C ZINC000276388098 403169880 /nfs/dbraw/zinc/16/98/80/403169880.db2.gz HWODDBWVPWRMEF-GFCCVEGCSA-N 0 3 306.366 2.427 20 5 DEBDHN CC1(C)[C@@H](C(F)(F)F)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000276132092 403147801 /nfs/dbraw/zinc/14/78/01/403147801.db2.gz CZBQXSOLACZRAT-JTQLQIEISA-N 0 3 306.288 2.454 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)CCN(C)C2CC2)c1 ZINC000283162878 403176612 /nfs/dbraw/zinc/17/66/12/403176612.db2.gz PAXHNXXTRJXELJ-UHFFFAOYSA-N 0 3 321.377 2.160 20 5 DEBDHN CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCCO1 ZINC000342639079 403292187 /nfs/dbraw/zinc/29/21/87/403292187.db2.gz VZBLWAIQPKJENX-OAHLLOKOSA-N 0 3 321.377 2.424 20 5 DEBDHN CS[C@@H]1CN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000270970194 403247000 /nfs/dbraw/zinc/24/70/00/403247000.db2.gz BQGSUOOKAJOBNK-ZIAGYGMSSA-N 0 3 323.418 2.021 20 5 DEBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000285646698 403348289 /nfs/dbraw/zinc/34/82/89/403348289.db2.gz DNJVKOCZPCLTOG-YPMHNXCESA-N 0 3 321.352 2.433 20 5 DEBDHN CSc1cccc(C(=O)N(C)C[C@H]2CCN(C)C2)c1[N+](=O)[O-] ZINC000331156616 403341684 /nfs/dbraw/zinc/34/16/84/403341684.db2.gz VTGWKBYWTZXNEZ-NSHDSACASA-N 0 3 323.418 2.340 20 5 DEBDHN CN1CCC[C@@]2(CCN(c3c4c(ccc3[N+](=O)[O-])NCC4)C2)C1 ZINC000292675451 403373895 /nfs/dbraw/zinc/37/38/95/403373895.db2.gz DIGFGLTVHSALJI-QGZVFWFLSA-N 0 3 316.405 2.485 20 5 DEBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000285873477 403400339 /nfs/dbraw/zinc/40/03/39/403400339.db2.gz QLRGGTGUSNETKR-IUODEOHRSA-N 0 3 303.362 2.294 20 5 DEBDHN Cc1c(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cnn1C ZINC000331593491 403426026 /nfs/dbraw/zinc/42/60/26/403426026.db2.gz KYSQIDBBMWCZTP-UONOGXRCSA-N 0 3 318.381 2.107 20 5 DEBDHN CN(C)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])n2C)cc1 ZINC000345770809 403477345 /nfs/dbraw/zinc/47/73/45/403477345.db2.gz WVVWKYSLFOPJEN-UHFFFAOYSA-N 0 3 302.334 2.247 20 5 DEBDHN CC(C)N(CCN1CCOCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000299105034 403522595 /nfs/dbraw/zinc/52/25/95/403522595.db2.gz FNLKTJHQUKTMNC-UHFFFAOYSA-N 0 3 307.394 2.137 20 5 DEBDHN CCN1C[C@@H](C)N(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1C ZINC000332233395 403524046 /nfs/dbraw/zinc/52/40/46/403524046.db2.gz MWZTZHXHSFERPQ-NWDGAFQWSA-N 0 3 317.393 2.386 20 5 DEBDHN C[C@H]1C[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCN1C ZINC000332221367 403519168 /nfs/dbraw/zinc/51/91/68/403519168.db2.gz ARMUQRUKISKHGW-QWRGUYRKSA-N 0 3 316.361 2.289 20 5 DEBDHN CNC(=O)c1ccc(N[C@@H](C)CN2CCCCC2)c([N+](=O)[O-])c1 ZINC000301104228 403590362 /nfs/dbraw/zinc/59/03/62/403590362.db2.gz SELNPYGAVURCSV-LBPRGKRZSA-N 0 3 320.393 2.241 20 5 DEBDHN CSc1ccc(C(=O)N(C)CCN2CCCC2)cc1[N+](=O)[O-] ZINC000343473503 403604951 /nfs/dbraw/zinc/60/49/51/403604951.db2.gz MYOZEOBCPBNTJY-UHFFFAOYSA-N 0 3 323.418 2.485 20 5 DEBDHN C[C@H](CO)N1CCCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000346694163 403598429 /nfs/dbraw/zinc/59/84/29/403598429.db2.gz SHJTYPBXMGEFTN-ZIAGYGMSSA-N 0 3 307.394 2.044 20 5 DEBDHN O=[N+]([O-])c1cccc(N2CCN(C[C@H]3CCCOC3)CC2)c1 ZINC000332402365 403572752 /nfs/dbraw/zinc/57/27/52/403572752.db2.gz WEPMUEVUBDGDEL-CQSZACIVSA-N 0 3 305.378 2.143 20 5 DEBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)CN(C)C ZINC000346176816 403577796 /nfs/dbraw/zinc/57/77/96/403577796.db2.gz ZXIIPPQJZRLTKZ-GXTWGEPZSA-N 0 3 307.394 2.230 20 5 DEBDHN C[C@H]1[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)CCCN1C ZINC000343527293 403623732 /nfs/dbraw/zinc/62/37/32/403623732.db2.gz VGUGLDNPCZXNBM-SWLSCSKDSA-N 0 3 305.378 2.126 20 5 DEBDHN Cc1cc(NCCn2ccccc2=O)c2cc([N+](=O)[O-])ccc2n1 ZINC000340847802 403673324 /nfs/dbraw/zinc/67/33/24/403673324.db2.gz VCHGLJLSOYQOOP-UHFFFAOYSA-N 0 3 324.340 2.147 20 5 DEBDHN O=C(c1ccc2c(c1)CNC2)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000347508282 403734970 /nfs/dbraw/zinc/73/49/70/403734970.db2.gz AMSUEDOLBANPLO-UHFFFAOYSA-N 0 3 323.352 2.397 20 5 DEBDHN CC(C)[C@@H](C(=O)N(C)CCc1ccccc1[N+](=O)[O-])N(C)C ZINC000288272800 403743849 /nfs/dbraw/zinc/74/38/49/403743849.db2.gz KHORXUMKWICTSD-HNNXBMFYSA-N 0 3 307.394 2.182 20 5 DEBDHN COCCN(C/C=C/c1ccccc1[N+](=O)[O-])CCN(C)C ZINC000289408068 403949261 /nfs/dbraw/zinc/94/92/61/403949261.db2.gz HKFUXAODDYUPPB-SOFGYWHQSA-N 0 3 307.394 2.118 20 5 DEBDHN COC(=O)[C@]1(C)CN(Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@@H]1C ZINC000337422266 404013472 /nfs/dbraw/zinc/01/34/72/404013472.db2.gz BRPDGAHQRHITKP-MEDUHNTESA-N 0 3 322.361 2.234 20 5 DEBDHN COc1cc(CNC[C@]2(C)CCOC2)c([N+](=O)[O-])cc1OC ZINC000344389087 404102172 /nfs/dbraw/zinc/10/21/72/404102172.db2.gz IIFCQGWEVOVCIB-HNNXBMFYSA-N 0 3 310.350 2.128 20 5 DEBDHN CCN(C)C(=O)[C@@H](NCCOc1ccccc1[N+](=O)[O-])C(C)C ZINC000296109359 404098677 /nfs/dbraw/zinc/09/86/77/404098677.db2.gz DXUKNFXNFRBFAD-HNNXBMFYSA-N 0 3 323.393 2.066 20 5 DEBDHN Cc1nc(NC[C@H](c2cccs2)N(C)C)ncc1[N+](=O)[O-] ZINC000296194009 404137345 /nfs/dbraw/zinc/13/73/45/404137345.db2.gz BQQKPFWQIOPCSE-LLVKDONJSA-N 0 3 307.379 2.470 20 5 DEBDHN CC1(C)CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H]1C1CC1 ZINC000290497424 404193496 /nfs/dbraw/zinc/19/34/96/404193496.db2.gz AMGONVKJRQAUNW-CJNGLKHVSA-N 0 3 320.389 2.455 20 5 DEBDHN CN(C[C@@H](O)COc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000290508060 404198534 /nfs/dbraw/zinc/19/85/34/404198534.db2.gz BEPRCDQLLUMSTH-LLVKDONJSA-N 0 3 300.742 2.082 20 5 DEBDHN CC[C@@H](C)N(C)CCNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000290718153 404283902 /nfs/dbraw/zinc/28/39/02/404283902.db2.gz YJXYTQUBZNDIGB-SNVBAGLBSA-N 0 3 319.365 2.386 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)CCN2CCCC2)c1 ZINC000338534532 404385784 /nfs/dbraw/zinc/38/57/84/404385784.db2.gz GDNZBMCMQAPDBH-UHFFFAOYSA-N 0 3 321.377 2.161 20 5 DEBDHN CCCCN(C)CCNC(=O)c1cc(OCC)ccc1[N+](=O)[O-] ZINC000338537987 404388840 /nfs/dbraw/zinc/38/88/40/404388840.db2.gz YCVXTSHPEUHXEG-UHFFFAOYSA-N 0 3 323.393 2.455 20 5 DEBDHN CCCN(C)CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000345173887 404592747 /nfs/dbraw/zinc/59/27/47/404592747.db2.gz UJSPRVGYVOFGRB-UHFFFAOYSA-N 0 3 305.378 2.428 20 5 DEBDHN CO[C@@H]([C@H](C)N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000414193747 404543762 /nfs/dbraw/zinc/54/37/62/404543762.db2.gz URQHAOMBBSLUOC-PGUXBMHVSA-N 0 3 321.377 2.325 20 5 DEBDHN CCC1CC(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000342578284 404660288 /nfs/dbraw/zinc/66/02/88/404660288.db2.gz OHJXPZBUGJKJDQ-UHFFFAOYSA-N 0 3 312.391 2.147 20 5 DEBDHN C[C@H](N[C@H]1CCC[C@@]1(C)CO)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000351491999 404602623 /nfs/dbraw/zinc/60/26/23/404602623.db2.gz ISCVEJIJJVSJGA-PJODQICGSA-N 0 3 321.377 2.063 20 5 DEBDHN C[C@H](N[C@H]1CCC[C@]1(C)CO)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000351514710 404620071 /nfs/dbraw/zinc/62/00/71/404620071.db2.gz CTSGUZNANNPIDM-HZUKXOBISA-N 0 3 321.377 2.063 20 5 DEBDHN CCOc1cc(N2CC[C@@H](OCCN(C)C)C2)ccc1[N+](=O)[O-] ZINC000356869310 404712455 /nfs/dbraw/zinc/71/24/55/404712455.db2.gz UVUHYSYIHDJQKX-CQSZACIVSA-N 0 3 323.393 2.150 20 5 DEBDHN COC(=O)[C@]12CCC[C@H]1CN(Cc1ccccc1[N+](=O)[O-])C2 ZINC000367810065 405160926 /nfs/dbraw/zinc/16/09/26/405160926.db2.gz MNELBPHXRHJSJJ-BBRMVZONSA-N 0 3 304.346 2.370 20 5 DEBDHN CCN(CCCN(C)C)c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000425256062 405264300 /nfs/dbraw/zinc/26/43/00/405264300.db2.gz OHXCWCLJTDXWDR-UHFFFAOYSA-N 0 3 319.365 2.022 20 5 DEBDHN CC(C)[C@]1(CO)CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000368074605 405226949 /nfs/dbraw/zinc/22/69/49/405226949.db2.gz OMAFVZJYBBVRKB-MRXNPFEDSA-N 0 3 308.378 2.314 20 5 DEBDHN Cc1nnsc1CN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000426332784 405351495 /nfs/dbraw/zinc/35/14/95/405351495.db2.gz FFWWCQSXIAPZMJ-GHMZBOCLSA-N 0 3 322.394 2.225 20 5 DEBDHN C[C@H]1COCCN1CCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447536209 405417377 /nfs/dbraw/zinc/41/73/77/405417377.db2.gz LRBCRWWMPNKRCB-GUYCJALGSA-N 0 3 319.405 2.283 20 5 DEBDHN Cc1ccc(NC(=O)N(C)C[C@@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000421036895 405438118 /nfs/dbraw/zinc/43/81/18/405438118.db2.gz OKNOZUZEPMZJOL-ZDUSSCGKSA-N 0 3 306.366 2.461 20 5 DEBDHN CNC(=O)[C@@]1(C)CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000430773379 405506587 /nfs/dbraw/zinc/50/65/87/405506587.db2.gz SXPGZSLSJFRDRY-WRLNGNIRSA-N 0 3 303.362 2.066 20 5 DEBDHN CSc1cccc(C(=O)N(C)C[C@H]2CCCN2C)c1[N+](=O)[O-] ZINC000421711067 405606792 /nfs/dbraw/zinc/60/67/92/405606792.db2.gz NQDWRRWPNMQTDQ-LLVKDONJSA-N 0 3 323.418 2.483 20 5 DEBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)C[C@@H]1CCCN1C ZINC000421714556 405610108 /nfs/dbraw/zinc/61/01/08/405610108.db2.gz VTLWJRUNPFILFK-LBPRGKRZSA-N 0 3 321.377 2.160 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]1CCOC[C@@H]1OC ZINC000449458601 405569857 /nfs/dbraw/zinc/56/98/57/405569857.db2.gz PFVIOCUGJJRJBQ-LRDDRELGSA-N 0 3 324.377 2.135 20 5 DEBDHN C[C@H](N[C@@]1(C)CCO[C@@H]1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000494230016 405665474 /nfs/dbraw/zinc/66/54/74/405665474.db2.gz HBNGGAVJJKWTIL-RWSFTLGLSA-N 0 3 307.350 2.079 20 5 DEBDHN COc1cccc(C(=O)NCCN2CCCC2(C)C)c1[N+](=O)[O-] ZINC000457057280 405674491 /nfs/dbraw/zinc/67/44/91/405674491.db2.gz ORKJFVBDOFZANU-UHFFFAOYSA-N 0 3 321.377 2.208 20 5 DEBDHN COC[C@@]1(CO)CCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000449698912 405698205 /nfs/dbraw/zinc/69/82/05/405698205.db2.gz OUYXBWAZCHSOIV-QHIITQONSA-N 0 3 320.389 2.329 20 5 DEBDHN Cc1cc(C(=O)N(C)[C@@H]2CCN(C(C)C)C2)cc([N+](=O)[O-])c1 ZINC000457137191 405719560 /nfs/dbraw/zinc/71/95/60/405719560.db2.gz XCSMTRCXAZJAOU-CQSZACIVSA-N 0 3 305.378 2.458 20 5 DEBDHN CNC(=O)CCCN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000583449835 405744067 /nfs/dbraw/zinc/74/40/67/405744067.db2.gz XRRKNJKTKKKRQS-AWEZNQCLSA-N 0 3 305.378 2.300 20 5 DEBDHN Cc1nc(N2CCN(C3CCC(C)CC3)CC2)ncc1[N+](=O)[O-] ZINC000450337493 405840837 /nfs/dbraw/zinc/84/08/37/405840837.db2.gz GCDCVLRWYUAJEA-UHFFFAOYSA-N 0 3 319.409 2.394 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459768889 406037842 /nfs/dbraw/zinc/03/78/42/406037842.db2.gz GAGQRTKGWSZUEF-WXHSDQCUSA-N 0 3 319.361 2.320 20 5 DEBDHN CN(C(=O)CN[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000459768038 406037967 /nfs/dbraw/zinc/03/79/67/406037967.db2.gz FUSDCVPUMFOQCW-BYCMXARLSA-N 0 3 303.362 2.336 20 5 DEBDHN CC[C@H]1CN(CCNC/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000487207513 406215851 /nfs/dbraw/zinc/21/58/51/406215851.db2.gz FVPHZWRCLDJFCX-WRLNGNIRSA-N 0 3 319.405 2.308 20 5 DEBDHN Cc1cc([N+](=O)[O-])cnc1N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000488768414 406346816 /nfs/dbraw/zinc/34/68/16/406346816.db2.gz WXKZVNQPAWZFEU-TYNCELHUSA-N 0 3 304.394 2.465 20 5 DEBDHN CN1CC[C@@H]2CN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000569201823 292396510 /nfs/dbraw/zinc/39/65/10/292396510.db2.gz PPTYYUNPPGCMFS-SKDRFNHKSA-N 0 3 309.753 2.024 20 5 DEBDHN CN(C(=O)/C=C\c1ccccc1[N+](=O)[O-])[C@H]1CCN(C2CC2)C1 ZINC000491685284 406669388 /nfs/dbraw/zinc/66/93/88/406669388.db2.gz KTFAHAYOVSVWKZ-AJHXJQRKSA-N 0 3 315.373 2.303 20 5 DEBDHN C[C@@H]1C[C@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])CCN1C ZINC000491915896 406776841 /nfs/dbraw/zinc/77/68/41/406776841.db2.gz QHBHXMUFDSQVHV-SNRDVKANSA-N 0 3 303.362 2.207 20 5 DEBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](CN2CCOCC2)C1 ZINC000129358192 196041751 /nfs/dbraw/zinc/04/17/51/196041751.db2.gz LMZPGYPSNWFNTB-HUUCEWRRSA-N 0 3 319.405 2.310 20 5 DEBDHN CN(CC1CCN(C)CC1)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000134280686 196375557 /nfs/dbraw/zinc/37/55/57/196375557.db2.gz MQISRENVBWFMFO-UHFFFAOYSA-N 0 3 309.341 2.148 20 5 DEBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CCc3cncs3)C2)nc1 ZINC000411372278 227394611 /nfs/dbraw/zinc/39/46/11/227394611.db2.gz CDZCDGJGXORYOO-NSHDSACASA-N 0 3 319.390 2.175 20 5 DEBDHN COCCN1CC[C@H](Nc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413136092 228281384 /nfs/dbraw/zinc/28/13/84/228281384.db2.gz NJONTBSAAGWJRY-ZDUSSCGKSA-N 0 3 316.361 2.276 20 5 DEBDHN CC(C)Oc1nc(N[C@@H]2CCN(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000521899218 421804540 /nfs/dbraw/zinc/80/45/40/421804540.db2.gz OHSOTURWFIWVTR-LLVKDONJSA-N 0 3 306.366 2.426 20 5 DEBDHN C[C@H]1[C@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)CCCN1C ZINC000343434390 424977704 /nfs/dbraw/zinc/97/77/04/424977704.db2.gz ALNFFMVSTYVQPQ-SMDDNHRTSA-N 0 3 300.362 3.038 20 5 DEBDHN CC[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)OCC(C)[N+](=O)[O-] ZINC000496417482 269217868 /nfs/dbraw/zinc/21/78/68/269217868.db2.gz FBAYEHAPVDMQHE-HZMBPMFUSA-N 0 3 318.370 2.136 20 5 DEBDHN CC1(C)C[C@H](NC[C@@]2(O)CCOC2)c2cc([N+](=O)[O-])ccc21 ZINC000278597164 273589143 /nfs/dbraw/zinc/58/91/43/273589143.db2.gz AIYJGIBOAWYTGZ-HOCLYGCPSA-N 0 3 306.362 2.058 20 5 DEBDHN CCN(CCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000209825883 276344732 /nfs/dbraw/zinc/34/47/32/276344732.db2.gz HPGAYXNHIMGWNR-YHYXMXQVSA-N 0 3 303.362 2.209 20 5 DEBDHN CN(C)CC1(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000281781948 276781803 /nfs/dbraw/zinc/78/18/03/276781803.db2.gz RRKXCSNATCFVEM-UHFFFAOYSA-N 0 3 311.769 2.462 20 5 DEBDHN CC(C)[C@H](C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)N(C)C ZINC000268635468 280176160 /nfs/dbraw/zinc/17/61/60/280176160.db2.gz LMIYHCYAXVLYJA-CYBMUJFWSA-N 0 3 313.785 2.451 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1NC[C@H](O)CN1CCC(C)CC1 ZINC000301522346 281261178 /nfs/dbraw/zinc/26/11/78/281261178.db2.gz GIFOASJABTWGMI-AWEZNQCLSA-N 0 3 307.394 2.408 20 5 DEBDHN CC[C@H](NC[C@@H](O)COCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000129969128 281925833 /nfs/dbraw/zinc/92/58/33/281925833.db2.gz OSISICPATABIHZ-CVEARBPZSA-N 0 3 308.378 2.423 20 5 DEBDHN CN(C)CCN(C(=O)c1cc([N+](=O)[O-])c[nH]1)C1CCCCC1 ZINC000343017874 289124703 /nfs/dbraw/zinc/12/47/03/289124703.db2.gz VYZWKAYRMBPNEH-UHFFFAOYSA-N 0 3 308.382 2.259 20 5 DEBDHN C[C@H]([C@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)N1CCOCC1 ZINC000134209169 290207444 /nfs/dbraw/zinc/20/74/44/290207444.db2.gz KXEKLKIKPFDYCF-MELADBBJSA-N 0 3 307.394 2.355 20 5 DEBDHN Cc1ccnc(N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000488716014 302272149 /nfs/dbraw/zinc/27/21/49/302272149.db2.gz QICLWMJCLKPDAA-IACUBPJLSA-N 0 3 304.394 2.465 20 5 DEBDHN C[C@@H](C(=O)NCCN1CC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000574250352 326136478 /nfs/dbraw/zinc/13/64/78/326136478.db2.gz JJAMHNXVJNLTAX-CHWSQXEVSA-N 0 3 305.378 2.156 20 5 DEBDHN Cc1ccsc1CNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000574863722 326194459 /nfs/dbraw/zinc/19/44/59/326194459.db2.gz BXMCPRWJHBXRKI-ZDUSSCGKSA-N 0 3 322.386 2.494 20 5 DEBDHN C[C@@H]1C[C@H](C)CN(CCn2cc([N+](=O)[O-])cc(Cl)c2=O)C1 ZINC000576479622 326297311 /nfs/dbraw/zinc/29/73/11/326297311.db2.gz HDLPQVWAEQFFMM-PHIMTYICSA-N 0 3 313.785 2.388 20 5 DEBDHN CCO[C@@H]1C[C@H]1N[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000583242977 337285479 /nfs/dbraw/zinc/28/54/79/337285479.db2.gz YQBIPVVBYLDWCF-LERXQTSPSA-N 0 3 307.350 2.079 20 5 DEBDHN C[C@H](NC(=O)NC[C@@H]1CCCCN1C)c1ccc([N+](=O)[O-])cc1 ZINC001357776919 1152337717 /nfs/dbraw/zinc/33/77/17/1152337717.db2.gz QAPWUGUNZOTGNG-WFASDCNBSA-N 0 3 320.393 2.439 20 5 DEBDHN Cc1cc(F)c(NC(=O)N2CCN3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000296637763 533811874 /nfs/dbraw/zinc/81/18/74/533811874.db2.gz DCQBCAAZNJJTAT-NSHDSACASA-N 0 3 322.340 2.354 20 5 DEBDHN COc1cc(C[NH2+]CCc2scnc2C)c([N+](=O)[O-])cc1[O-] ZINC000294728583 533877089 /nfs/dbraw/zinc/87/70/89/533877089.db2.gz DCAMUJYJSKEONW-UHFFFAOYSA-N 0 3 323.374 2.406 20 5 DEBDHN CCCN(CC)Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000355614781 521615338 /nfs/dbraw/zinc/61/53/38/521615338.db2.gz WVWSIZAQDJHFQI-UHFFFAOYSA-N 0 3 310.350 2.379 20 5 DEBDHN Cc1ccc([C@@H](C)NC[C@@H](C)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000127498119 525729198 /nfs/dbraw/zinc/72/91/98/525729198.db2.gz FSJWYXGRCPKNFP-HUUCEWRRSA-N 0 3 320.437 2.190 20 5 DEBDHN CCC[C@@H](NCCN1CCC(O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000295826585 529007806 /nfs/dbraw/zinc/00/78/06/529007806.db2.gz CFURGVKBSZTRCB-QGZVFWFLSA-N 0 3 321.421 2.482 20 5 DEBDHN CCN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411233913 529080633 /nfs/dbraw/zinc/08/06/33/529080633.db2.gz ZCRNQZYUGKETJV-OWCLPIDISA-N 0 3 317.389 2.299 20 5 DEBDHN CCN1CCC[C@H]1CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000297421844 529104143 /nfs/dbraw/zinc/10/41/43/529104143.db2.gz YKUCRWQOFVKZSG-WFASDCNBSA-N 0 3 320.393 2.439 20 5 DEBDHN CCOC[C@@H](O)CNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000319717070 535678459 /nfs/dbraw/zinc/67/84/59/535678459.db2.gz QUUCWADLPBAOKZ-LBPRGKRZSA-N 0 3 305.334 2.261 20 5 DEBDHN CC[C@H](NCCN1CCO[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000247069181 535900921 /nfs/dbraw/zinc/90/09/21/535900921.db2.gz QBHRVTIBXQTNBI-BBRMVZONSA-N 0 3 307.394 2.356 20 5 DEBDHN CNC(=O)[C@@H]1CCC[C@@H]1N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000358236190 536363218 /nfs/dbraw/zinc/36/32/18/536363218.db2.gz ABZSGIGODZFAMZ-YUTCNCBUSA-N 0 3 305.378 2.469 20 5 DEBDHN CN1CC[C@@H]2CCN(C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000492401296 536460566 /nfs/dbraw/zinc/46/05/66/536460566.db2.gz UNPPGAXCYAZMKP-ULJGCTHBSA-N 0 3 315.373 2.161 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)Cc1cnccn1 ZINC000453112065 536956088 /nfs/dbraw/zinc/95/60/88/536956088.db2.gz SQICZQRIUDODCW-NSHDSACASA-N 0 3 302.334 2.114 20 5 DEBDHN COc1ccc(OC(F)(F)F)c(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000835455232 649923876 /nfs/dbraw/zinc/92/38/76/649923876.db2.gz NKGCGTADESLMSV-SSDOTTSWSA-N 0 3 323.223 2.416 20 5 DEBDHN CCN1C[C@H](C)N(Cc2ccc(O)c(OC)c2[N+](=O)[O-])C[C@H]1C ZINC000892085232 624775576 /nfs/dbraw/zinc/77/55/76/624775576.db2.gz KYKKRTGJHXZCQQ-NEPJUHHUSA-N 0 3 323.393 2.224 20 5 DEBDHN COC(=O)c1cnc(CCNCc2ccc([N+](=O)[O-])cc2)s1 ZINC000922838751 636436563 /nfs/dbraw/zinc/43/65/63/636436563.db2.gz KZPKMAAYHJZUJU-UHFFFAOYSA-N 0 3 321.358 2.170 20 5 DEBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000923292401 637093579 /nfs/dbraw/zinc/09/35/79/637093579.db2.gz XPGNGHRWCOXPOL-QWHCGFSZSA-N 0 3 307.325 2.043 20 5 DEBDHN CC(C)N1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000839440408 637878296 /nfs/dbraw/zinc/87/82/96/637878296.db2.gz RRYPOVAVDKSMQR-LBPRGKRZSA-N 0 3 309.341 2.289 20 5 DEBDHN O=[N+]([O-])c1ccc2c(cnn2CN2CCC3(C2)CCOCC3)c1 ZINC000743404766 638144394 /nfs/dbraw/zinc/14/43/94/638144394.db2.gz BWOYEEMDQRRPBF-UHFFFAOYSA-N 0 3 316.361 2.405 20 5 DEBDHN C[C@@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C)CN1 ZINC000841011615 650406157 /nfs/dbraw/zinc/40/61/57/650406157.db2.gz SNTRFPKDGOIOIZ-BDAKNGLRSA-N 0 3 312.757 2.462 20 5 DEBDHN COc1cc(CNC[C@@H]2CC[C@H](C3CC3)O2)c([N+](=O)[O-])cc1O ZINC000897511327 640521488 /nfs/dbraw/zinc/52/14/88/640521488.db2.gz KDTVFHRSBFYKOC-SWLSCSKDSA-N 0 3 322.361 2.356 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]3CN(C)C[C@H]32)c1C ZINC000898012749 641000906 /nfs/dbraw/zinc/00/09/06/641000906.db2.gz FMNCFXIBUGJWGF-DZGCQCFKSA-N 0 3 317.389 2.378 20 5 DEBDHN Cc1c([C@@H](C)NC[C@@H](O)c2ccnn2C)cccc1[N+](=O)[O-] ZINC000927132966 641673853 /nfs/dbraw/zinc/67/38/53/641673853.db2.gz PKSKRRAPWPTZMB-IAQYHMDHSA-N 0 3 304.350 2.021 20 5 DEBDHN CC(C)Oc1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1[N+](=O)[O-] ZINC000842364607 650718400 /nfs/dbraw/zinc/71/84/00/650718400.db2.gz ZNJGBDDOFOBRLM-VIFPVBQESA-N 0 3 312.278 2.204 20 5 DEBDHN Cc1cc(F)cc(C(=O)N[C@H](C)C2=CCN(C)CC2)c1[N+](=O)[O-] ZINC000781393799 642746682 /nfs/dbraw/zinc/74/66/82/642746682.db2.gz GHANRIVEQNLKNG-LLVKDONJSA-N 0 3 321.352 2.423 20 5 DEBDHN O=[N+]([O-])c1ccc(Cl)c(CN[C@@H](CO)C2CCOCC2)c1 ZINC000782389036 642875458 /nfs/dbraw/zinc/87/54/58/642875458.db2.gz MFCUIKQOUSODCB-AWEZNQCLSA-N 0 3 314.769 2.125 20 5 DEBDHN C[C@@H]1[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCN1C ZINC000902929756 643195305 /nfs/dbraw/zinc/19/53/05/643195305.db2.gz YHAIZCNJPAEUNA-KCJUWKMLSA-N 0 3 312.757 2.462 20 5 DEBDHN COc1cc([C@@H](C)NCCOC[C@@H]2CCCO2)cc([N+](=O)[O-])c1 ZINC000903098755 643248723 /nfs/dbraw/zinc/24/87/23/643248723.db2.gz UDBYYVYLQHRYPJ-DOMZBBRYSA-N 0 3 324.377 2.450 20 5 DEBDHN COCCOC[C@@H](C)N[C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903119134 643258453 /nfs/dbraw/zinc/25/84/53/643258453.db2.gz GXQSNCOZMXZIGT-NEPJUHHUSA-N 0 3 312.366 2.306 20 5 DEBDHN COc1ccc2c(c1)c(C(=O)OCC(C)[N+](=O)[O-])c(C)n2C ZINC000842801122 650828730 /nfs/dbraw/zinc/82/87/30/650828730.db2.gz CMTGNVAPBRPHHG-VIFPVBQESA-N 0 3 306.318 2.317 20 5 DEBDHN Cc1ccc(N2CC(N(C)C)C2)c([N+](=O)[O-])c1Br ZINC000786801210 643410849 /nfs/dbraw/zinc/41/08/49/643410849.db2.gz QVHBVGRMKIOXHO-UHFFFAOYSA-N 0 3 314.183 2.416 20 5 DEBDHN C[C@@H](Cc1ccc(F)c(Br)c1)NCC[N+](=O)[O-] ZINC000905164797 643821007 /nfs/dbraw/zinc/82/10/07/643821007.db2.gz IQODVSVCEJKBGR-QMMMGPOBSA-N 0 3 305.147 2.386 20 5 DEBDHN CN(C)[C@H](CNCC[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000905214024 643833906 /nfs/dbraw/zinc/83/39/06/643833906.db2.gz GLMZMIHCXOWFAE-GFCCVEGCSA-N 0 3 305.300 2.174 20 5 DEBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@H](O)c1ccc(F)cn1 ZINC000796116053 644687337 /nfs/dbraw/zinc/68/73/37/644687337.db2.gz RWXDREOOEOPGBU-INIZCTEOSA-N 0 3 319.336 2.337 20 5 DEBDHN Cc1nc([C@@H]2CCCOC2)sc1C(=O)OCC(C)[N+](=O)[O-] ZINC000797277523 644863629 /nfs/dbraw/zinc/86/36/29/644863629.db2.gz BCSWRBXUOCWAER-PSASIEDQSA-N 0 3 314.363 2.168 20 5 DEBDHN CCN1CCCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)[C@@H](C)C1 ZINC000910294459 645407430 /nfs/dbraw/zinc/40/74/30/645407430.db2.gz GWRDTZABOHLWLS-ZDUSSCGKSA-N 0 3 305.378 2.460 20 5 DEBDHN CCN1CCCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000910297520 645408979 /nfs/dbraw/zinc/40/89/79/645408979.db2.gz HCDRRSIQPVWMNC-CYBMUJFWSA-N 0 3 305.378 2.460 20 5 DEBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000843790547 651029981 /nfs/dbraw/zinc/02/99/81/651029981.db2.gz GAKSGCRWSBRNII-GFCCVEGCSA-N 0 3 321.352 2.256 20 5 DEBDHN CC[C@H]1CN(C)CCN1Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000840090054 645939015 /nfs/dbraw/zinc/93/90/15/645939015.db2.gz BZJLFMRDGPQTHK-ZDUSSCGKSA-N 0 3 317.393 2.236 20 5 DEBDHN CC(COC(=O)c1ccc(N2CCCCCC2)nc1)[N+](=O)[O-] ZINC000813100258 646728065 /nfs/dbraw/zinc/72/80/65/646728065.db2.gz PWDPNJMKGCDOSQ-LBPRGKRZSA-N 0 3 307.350 2.284 20 5 DEBDHN CC(COC(=O)c1cnn(C(C)(C)C)c1C(F)(F)F)[N+](=O)[O-] ZINC000813108995 646730341 /nfs/dbraw/zinc/73/03/41/646730341.db2.gz DAXFKIXMYOCVEJ-ZETCQYMHSA-N 0 3 323.271 2.479 20 5 DEBDHN CC(COC(=O)Cc1csc(Cc2ccccc2)n1)[N+](=O)[O-] ZINC000813108204 646730534 /nfs/dbraw/zinc/73/05/34/646730534.db2.gz VKWZZNGEVZVBLD-NSHDSACASA-N 0 3 320.370 2.485 20 5 DEBDHN CC(COC(=O)c1ccc(F)c(Br)c1)[N+](=O)[O-] ZINC000813112767 646731144 /nfs/dbraw/zinc/73/11/44/646731144.db2.gz KQWMAHYATLOXKZ-ZCFIWIBFSA-N 0 3 306.087 2.410 20 5 DEBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])nnn1-c1cccc(Cl)c1 ZINC000813112350 646731305 /nfs/dbraw/zinc/73/13/05/646731305.db2.gz FUKLJYTVLDRDRD-MRVPVSSYSA-N 0 3 324.724 2.051 20 5 DEBDHN CCOc1cn(-c2ccccc2)nc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813111557 646731317 /nfs/dbraw/zinc/73/13/17/646731317.db2.gz URMXAHKFQLZDMK-LLVKDONJSA-N 0 3 319.317 2.093 20 5 DEBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])c(C)n1-c1nccs1 ZINC000813111095 646731523 /nfs/dbraw/zinc/73/15/23/646731523.db2.gz CIEVTPIQTGTJRP-SECBINFHSA-N 0 3 309.347 2.373 20 5 DEBDHN CC(COC(=O)[C@@H](C)Oc1ccc(F)cc1Cl)[N+](=O)[O-] ZINC000813115668 646733927 /nfs/dbraw/zinc/73/39/27/646733927.db2.gz XLBBIVKNCGUYAD-HTQZYQBOSA-N 0 3 305.689 2.455 20 5 DEBDHN C[C@@H](NCc1ccc(C(N)=O)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815553849 647030279 /nfs/dbraw/zinc/03/02/79/647030279.db2.gz LNJOJLUUCXXOEB-SNVBAGLBSA-N 0 3 314.345 2.127 20 5 DEBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@@H](O)CC23CCC3)c1 ZINC000817290452 647259512 /nfs/dbraw/zinc/25/95/12/647259512.db2.gz IZKIHIWHDNQCIZ-HUUCEWRRSA-N 0 3 306.362 2.008 20 5 DEBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@H]2COCc3ccccc32)c1 ZINC000819373263 647645835 /nfs/dbraw/zinc/64/58/35/647645835.db2.gz FSNVBRSTHDAZNR-DLBZAZTESA-N 0 3 314.341 2.489 20 5 DEBDHN CC(=O)N1C[C@H]2CN([C@H](C)c3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000821328093 648034759 /nfs/dbraw/zinc/03/47/59/648034759.db2.gz FAIHVWAMCJZODZ-DFBGVHRSSA-N 0 3 303.362 2.066 20 5 DEBDHN O=[N+]([O-])c1nccn1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000918377081 648073702 /nfs/dbraw/zinc/07/37/02/648073702.db2.gz BQUKAVNTJVXYOF-HNNXBMFYSA-N 0 3 316.361 2.082 20 5 DEBDHN CCC[C@H](C)[C@H](CO)NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000844373920 651119284 /nfs/dbraw/zinc/11/92/84/651119284.db2.gz AMGUZAKQXXWCBO-GWCFXTLKSA-N 0 3 311.338 2.390 20 5 DEBDHN Cc1nn(C)cc1C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845874389 651291210 /nfs/dbraw/zinc/29/12/10/651291210.db2.gz ICGCDPPKBKPYKH-IINYFYTJSA-N 0 3 321.308 2.431 20 5 DEBDHN Cc1cn(C)nc1C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845882247 651292111 /nfs/dbraw/zinc/29/21/11/651292111.db2.gz RUPHUSREFURULL-QMTHXVAHSA-N 0 3 321.308 2.431 20 5 DEBDHN CN(C1CCCC1)C(C)(C)C(=O)OCc1cn(C)nc1[N+](=O)[O-] ZINC000847784460 651417524 /nfs/dbraw/zinc/41/75/24/651417524.db2.gz SVFZYYLBZKECMA-UHFFFAOYSA-N 0 3 324.381 2.025 20 5 DEBDHN CC(C)[C@@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCN1 ZINC000856485101 651940730 /nfs/dbraw/zinc/94/07/30/651940730.db2.gz KECCOQPHKAPNOZ-LBPRGKRZSA-N 0 3 311.769 2.318 20 5 DEBDHN COc1c([O-])ccc(C[NH2+]CCc2ccncc2C)c1[N+](=O)[O-] ZINC000857707297 652163953 /nfs/dbraw/zinc/16/39/53/652163953.db2.gz CTPUYHWAUFUNFA-UHFFFAOYSA-N 0 3 317.345 2.345 20 5 DEBDHN Cc1noc(COC(=O)C2CN(C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000853921284 652621715 /nfs/dbraw/zinc/62/17/15/652621715.db2.gz LEMPMCUSDKZXSI-UHFFFAOYSA-N 0 3 323.349 2.199 20 5 DEBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000928445113 693780414 /nfs/dbraw/zinc/78/04/14/693780414.db2.gz WYYSZJXDUIWFIE-GXSJLCMTSA-N 0 3 311.769 2.379 20 5 DEBDHN CC(=O)N1CCC2(C1)CCN(Cc1ccccc1[N+](=O)[O-])CC2 ZINC000096268663 684053241 /nfs/dbraw/zinc/05/32/41/684053241.db2.gz KIURDYVWIPIADM-UHFFFAOYSA-N 0 3 317.389 2.429 20 5 DEBDHN COc1ccc(CCN(CC[N+](=O)[O-])CC(C)C)cc1OC ZINC000929655634 693999060 /nfs/dbraw/zinc/99/90/60/693999060.db2.gz DXCUZASQDCTNLY-UHFFFAOYSA-N 0 3 310.394 2.481 20 5 DEBDHN CC(C)[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CCN1 ZINC000862243312 686263596 /nfs/dbraw/zinc/26/35/96/686263596.db2.gz YNBAZWWEXNIBPH-NSHDSACASA-N 0 3 311.769 2.318 20 5 DEBDHN Cc1ccc(CNC(=O)NCCN2CCCCC2)cc1[N+](=O)[O-] ZINC000864421097 686712733 /nfs/dbraw/zinc/71/27/33/686712733.db2.gz WHNONMKEMMORFH-UHFFFAOYSA-N 0 3 320.393 2.188 20 5 DEBDHN CC[C@H](C[C@H](C)O)NCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000865871347 687363586 /nfs/dbraw/zinc/36/35/86/687363586.db2.gz BUTCUMNGUBSSMI-CMPLNLGQSA-N 0 3 312.366 2.251 20 5 DEBDHN COc1ccc(CNC(=O)[C@H]2CCCN2C(C)C)cc1[N+](=O)[O-] ZINC000930338549 694140772 /nfs/dbraw/zinc/14/07/72/694140772.db2.gz LHWXPNXDOFTAIH-CYBMUJFWSA-N 0 3 321.377 2.092 20 5 DEBDHN CC[C@@H]1CN(C)CCCN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000867961146 687852164 /nfs/dbraw/zinc/85/21/64/687852164.db2.gz UYSZGRQJHJXFJE-CYBMUJFWSA-N 0 3 323.368 2.219 20 5 DEBDHN CCCN(C(=O)Cc1cccc(F)c1[N+](=O)[O-])[C@H]1CCN(C)C1 ZINC000869072564 688212765 /nfs/dbraw/zinc/21/27/65/688212765.db2.gz MSYDOYJERMJKFZ-ZDUSSCGKSA-N 0 3 323.368 2.219 20 5 DEBDHN Cc1cn(C(C)(C)C(=O)OCC(C)[N+](=O)[O-])nc1C(F)(F)F ZINC000870376756 688552186 /nfs/dbraw/zinc/55/21/86/688552186.db2.gz MHJFKTOJZJCOCJ-MRVPVSSYSA-N 0 3 323.271 2.154 20 5 DEBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000874845479 689515873 /nfs/dbraw/zinc/51/58/73/689515873.db2.gz VOPCZLGVCTXVJT-KGLIPLIRSA-N 0 3 307.325 2.043 20 5 DEBDHN Cc1csc([C@H]2CCN(CCn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000880008924 690780156 /nfs/dbraw/zinc/78/01/56/690780156.db2.gz XHKXUZJFHUFLPG-NSHDSACASA-N 0 3 307.379 2.046 20 5 DEBDHN CC1(C)Nc2ccccc2[C@H]1NCCn1cc([N+](=O)[O-])cn1 ZINC000883464445 691517864 /nfs/dbraw/zinc/51/78/64/691517864.db2.gz NJCSQIIPALLWGZ-CQSZACIVSA-N 0 3 301.350 2.326 20 5 DEBDHN COC[C@H](NCc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000886908408 692227490 /nfs/dbraw/zinc/22/74/90/692227490.db2.gz SMYPFLCAANTYHD-RISCZKNCSA-N 0 3 312.341 2.265 20 5 DEBDHN COc1c(C(=O)NCCN2CCC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000890072521 692853267 /nfs/dbraw/zinc/85/32/67/692853267.db2.gz WMFAJDHQMSNERI-UHFFFAOYSA-N 0 3 321.377 2.065 20 5 DEBDHN Cc1cccc(C(=O)NCCN2CCC(C)(C)C2)c1[N+](=O)[O-] ZINC000890079638 692857156 /nfs/dbraw/zinc/85/71/56/692857156.db2.gz GXBLNAMQTUVXLH-UHFFFAOYSA-N 0 3 305.378 2.365 20 5 DEBDHN COc1cc([C@@H](C)N[C@@H](CCO)CSC)cc([N+](=O)[O-])c1 ZINC001334754974 1150339539 /nfs/dbraw/zinc/33/95/39/1150339539.db2.gz IOFFBWHLWJBIJD-PWSUYJOCSA-N 0 3 314.407 2.368 20 5 DEBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)CN1CCCC1 ZINC001348241967 1151136340 /nfs/dbraw/zinc/13/63/40/1151136340.db2.gz LMPWFESJLFBSLJ-NSHDSACASA-N 0 3 307.350 2.278 20 5 DEBDHN C[C@@H](NC(=O)NC[C@@H]1CCCCN1C)c1ccccc1[N+](=O)[O-] ZINC001354200901 1151876949 /nfs/dbraw/zinc/87/69/49/1151876949.db2.gz BVFZQAJWGRPFBU-OLZOCXBDSA-N 0 3 320.393 2.439 20 5 DEBDHN O=C(Cc1ccco1)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001168909330 784963755 /nfs/dbraw/zinc/96/37/55/784963755.db2.gz NVRAQZOOBOVIRO-UHFFFAOYSA-N 0 3 317.345 2.026 20 5 DEBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2CCN(c3ccc(Cl)cn3)CC2)C1 ZINC001169039653 785013441 /nfs/dbraw/zinc/01/34/41/785013441.db2.gz RWSWIWNQHKRGAE-JSGCOSHPSA-N 0 3 324.812 2.302 20 5 DEBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2CC[C@@H](N3CCCCC3)[C@@H](F)C2)C1 ZINC001169051946 785022600 /nfs/dbraw/zinc/02/26/00/785022600.db2.gz DPJGTFKWUHYOOT-YHUYYLMFSA-N 0 3 313.417 2.330 20 5 DEBDHN NCc1ccc2c(n1)N(c1ccc3nc[nH]c3c1[N+](=O)[O-])CCC2 ZINC001169590546 785250683 /nfs/dbraw/zinc/25/06/83/785250683.db2.gz HZVLUDUCAQMFGB-UHFFFAOYSA-N 0 3 324.344 2.409 20 5 DEBDHN C[C@@H](Nc1ncc(C(C)(C)C)cc1[N+](=O)[O-])[C@H]1CNCCO1 ZINC001170561470 787629245 /nfs/dbraw/zinc/62/92/45/787629245.db2.gz FKKINNKWNPJPNS-ZWNOBZJWSA-N 0 3 308.382 2.076 20 5 DEBDHN C[C@@H](CN(C)C)NC(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1 ZINC001155915722 797880225 /nfs/dbraw/zinc/88/02/25/797880225.db2.gz XKFKTGAFUSPCDH-ZETCQYMHSA-N 0 3 308.716 2.232 20 5 DEBDHN O=C(/C=C/C1CC1)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001156174120 797939287 /nfs/dbraw/zinc/93/92/87/797939287.db2.gz UHPPWKXBWWWUKT-CMDGGOBGSA-N 0 3 303.362 2.157 20 5 DEBDHN CC1(CC(=O)NCCCNCc2ccccc2[N+](=O)[O-])CC1 ZINC001162768951 799169757 /nfs/dbraw/zinc/16/97/57/799169757.db2.gz ATUZWOFYCUGBMJ-UHFFFAOYSA-N 0 3 305.378 2.381 20 5 DEBDHN COC(=O)c1c(C)c([N+](=O)[O-])ccc1N[C@H]1CN2CCC1CC2 ZINC001163394255 799330241 /nfs/dbraw/zinc/33/02/41/799330241.db2.gz DDGBVLQESYKFCI-ZDUSSCGKSA-N 0 3 319.361 2.196 20 5 DEBDHN CN(C)C1(C)CN(c2cc3ncnc(Cl)c3cc2[N+](=O)[O-])C1 ZINC001165118699 799654813 /nfs/dbraw/zinc/65/48/13/799654813.db2.gz YATBTVYARVJDEB-UHFFFAOYSA-N 0 3 321.768 2.332 20 5 DEBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC(O)(C3CCC3)CC2)cc1 ZINC000932820448 799943835 /nfs/dbraw/zinc/94/38/35/799943835.db2.gz OVVFEHQZWZMGIT-MRXNPFEDSA-N 0 3 320.389 2.255 20 5 DEBDHN CC(C)N1CCC[C@@H]1C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000935098061 800558895 /nfs/dbraw/zinc/55/88/95/800558895.db2.gz BZNNBLGSENBZBY-MRXNPFEDSA-N 0 3 317.389 2.352 20 5 DEBDHN CO[C@@H]1CCN(CCOc2c3cccnc3ccc2[N+](=O)[O-])C1 ZINC001233785067 802210544 /nfs/dbraw/zinc/21/05/44/802210544.db2.gz HBJWFQKOQSBXJQ-GFCCVEGCSA-N 0 3 317.345 2.243 20 5 DEBDHN O=[N+]([O-])c1ccc(CO[C@H]2CC[C@H](N3CCOCC3)CC2)cn1 ZINC001224115946 802837361 /nfs/dbraw/zinc/83/73/61/802837361.db2.gz WXLRFUTVTLIBAC-SHTZXODSSA-N 0 3 321.377 2.150 20 5 DEBDHN CN1CC[C@H](Oc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC001225504202 802974660 /nfs/dbraw/zinc/97/46/60/802974660.db2.gz NNKGYBNTWHEAFQ-VIFPVBQESA-N 0 3 301.140 2.440 20 5 DEBDHN C[C@@H](Oc1ccnc(N)c1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001226658133 803138444 /nfs/dbraw/zinc/13/84/44/803138444.db2.gz XQLISESPDWIFJS-MRVPVSSYSA-N 0 3 303.274 2.441 20 5 DEBDHN CC([C@H](OC(=O)Cc1cc[nH]n1)c1ccccc1F)[N+](=O)[O-] ZINC001526031961 1070204605 /nfs/dbraw/zinc/20/46/05/1070204605.db2.gz PIEMWNVMRDUDNN-OTYXRUKQSA-N 0 3 307.281 2.041 20 5 DEBDHN Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H](C)N2CCCC[C@@H]2C)n1 ZINC001526815977 1070354932 /nfs/dbraw/zinc/35/49/32/1070354932.db2.gz ZXAHSVFDQHIMGS-STQMWFEESA-N 0 3 320.393 2.291 20 5 DEBDHN Cn1cc([N+](=O)[O-])c(NCCCN2CCc3ccccc3C2)n1 ZINC001472655558 1060564562 /nfs/dbraw/zinc/56/45/62/1060564562.db2.gz RLGFSBGCKBCVCZ-UHFFFAOYSA-N 0 3 315.377 2.189 20 5 DEBDHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)C1(CF)CCC1 ZINC001493698573 1063923622 /nfs/dbraw/zinc/92/36/22/1063923622.db2.gz DVUPHLCAHVEUMG-UHFFFAOYSA-N 0 3 323.368 2.283 20 5 DEBDHN CN(CCCNCc1csc([N+](=O)[O-])c1)C(=O)c1ccc[nH]1 ZINC001569181953 1065348870 /nfs/dbraw/zinc/34/88/70/1065348870.db2.gz UZGZMHZJZJKWTG-UHFFFAOYSA-N 0 3 322.390 2.236 20 5 DEBDHN C[C@H]([NH2+]Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C1(C)CC1 ZINC001575378344 1066283800 /nfs/dbraw/zinc/28/38/00/1066283800.db2.gz GQKUSSZQRNOEEK-VIFPVBQESA-N 0 3 302.338 2.053 20 5 DEBDHN C[C@H]([NH2+]Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C1(C)CC1 ZINC001575378344 1066283804 /nfs/dbraw/zinc/28/38/04/1066283804.db2.gz GQKUSSZQRNOEEK-VIFPVBQESA-N 0 3 302.338 2.053 20 5 DEBDHN C[C@H]1OC(C)(C)N[C@@H]1CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC001576911382 1066721229 /nfs/dbraw/zinc/72/12/29/1066721229.db2.gz ZIFJPGJAPBAFQI-RKDXNWHRSA-N 0 3 310.310 2.028 20 5 DEBDHN C[C@@H]1OC(C)(C)N[C@@H]1CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC001576911380 1066721395 /nfs/dbraw/zinc/72/13/95/1066721395.db2.gz ZIFJPGJAPBAFQI-DTWKUNHWSA-N 0 3 310.310 2.028 20 5 DEBDHN CCN1C[C@H](NC(=O)c2cc(C)cc([N+](=O)[O-])c2)C(C)(C)C1 ZINC001635815275 1078459367 /nfs/dbraw/zinc/45/93/67/1078459367.db2.gz OVEFHJDBMIWMHL-AWEZNQCLSA-N 0 3 305.378 2.363 20 5 DEBDHN CCN1C[C@@H](NC(=O)c2cc(C)cc([N+](=O)[O-])c2)C(C)(C)C1 ZINC001635815276 1078459521 /nfs/dbraw/zinc/45/95/21/1078459521.db2.gz OVEFHJDBMIWMHL-CQSZACIVSA-N 0 3 305.378 2.363 20 5 DEBDHN Cc1ccc(NC(=O)c2ccc3c(c2)CNC3)c(N)c1[N+](=O)[O-] ZINC001579722587 1067410983 /nfs/dbraw/zinc/41/09/83/1067410983.db2.gz IVYWIZHSCFXFPC-UHFFFAOYSA-N 0 3 312.329 2.341 20 5 DEBDHN CCN1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C)C(C)(C)C1 ZINC001639263178 1078603615 /nfs/dbraw/zinc/60/36/15/1078603615.db2.gz LDHDPXJRZRVJLK-AWEZNQCLSA-N 0 3 305.378 2.363 20 5 DEBDHN Cc1cc(NC(=O)N(C)[C@@H]2CCCN(C)C2)cc([N+](=O)[O-])c1 ZINC001520384911 1069129987 /nfs/dbraw/zinc/12/99/87/1069129987.db2.gz WLLKUEHUZFDJEM-CYBMUJFWSA-N 0 3 306.366 2.461 20 5 DEBDHN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N[C@@H]1CCN(C2CC2)C1 ZINC001543965883 1072513078 /nfs/dbraw/zinc/51/30/78/1072513078.db2.gz DLGAHTAHDZDLGG-LLVKDONJSA-N 0 3 323.780 2.144 20 5 DEBDHN C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590309995 1076608872 /nfs/dbraw/zinc/60/88/72/1076608872.db2.gz RRNWBFRVYWPZME-OUAUKWLOSA-N 0 3 316.365 2.251 20 5 DEBDHN C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590309995 1076608874 /nfs/dbraw/zinc/60/88/74/1076608874.db2.gz RRNWBFRVYWPZME-OUAUKWLOSA-N 0 3 316.365 2.251 20 5 DEBDHN C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590309995 1076608876 /nfs/dbraw/zinc/60/88/76/1076608876.db2.gz RRNWBFRVYWPZME-OUAUKWLOSA-N 0 3 316.365 2.251 20 5 DEBDHN C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590309995 1076608879 /nfs/dbraw/zinc/60/88/79/1076608879.db2.gz RRNWBFRVYWPZME-OUAUKWLOSA-N 0 3 316.365 2.251 20 5 DEBDHN C[C@@H]1CC=CC[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591732136 1076779494 /nfs/dbraw/zinc/77/94/94/1076779494.db2.gz HLKNKZMTFWISMP-ZWNOBZJWSA-N 0 3 314.349 2.219 20 5 DEBDHN C[C@@H]1CC=CC[C@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591732136 1076779498 /nfs/dbraw/zinc/77/94/98/1076779498.db2.gz HLKNKZMTFWISMP-ZWNOBZJWSA-N 0 3 314.349 2.219 20 5 DEBDHN C[C@H]1CC[N@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])[C@H]1C ZINC001609167814 1077782508 /nfs/dbraw/zinc/78/25/08/1077782508.db2.gz BUEHQDLZOJRWOP-UWVGGRQHSA-N 0 3 302.338 2.005 20 5 DEBDHN C[C@H]1CC[N@@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])[C@H]1C ZINC001609167814 1077782509 /nfs/dbraw/zinc/78/25/09/1077782509.db2.gz BUEHQDLZOJRWOP-UWVGGRQHSA-N 0 3 302.338 2.005 20 5 DEBDHN C[C@H]1CC[N@H+](Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])[C@H]1C ZINC001609167814 1077782511 /nfs/dbraw/zinc/78/25/11/1077782511.db2.gz BUEHQDLZOJRWOP-UWVGGRQHSA-N 0 3 302.338 2.005 20 5 DEBDHN C[C@H]1CC[N@@H+](Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])[C@H]1C ZINC001609167814 1077782515 /nfs/dbraw/zinc/78/25/15/1077782515.db2.gz BUEHQDLZOJRWOP-UWVGGRQHSA-N 0 3 302.338 2.005 20 5 DEBDHN CC[C@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001609200610 1077796658 /nfs/dbraw/zinc/79/66/58/1077796658.db2.gz ADBKRDSMXCHCKL-JTQLQIEISA-N 0 3 302.338 2.007 20 5 DEBDHN CC[C@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001609200610 1077796659 /nfs/dbraw/zinc/79/66/59/1077796659.db2.gz ADBKRDSMXCHCKL-JTQLQIEISA-N 0 3 302.338 2.007 20 5 DEBDHN CC[C@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001609200610 1077796660 /nfs/dbraw/zinc/79/66/60/1077796660.db2.gz ADBKRDSMXCHCKL-JTQLQIEISA-N 0 3 302.338 2.007 20 5 DEBDHN CC[C@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001609200610 1077796663 /nfs/dbraw/zinc/79/66/63/1077796663.db2.gz ADBKRDSMXCHCKL-JTQLQIEISA-N 0 3 302.338 2.007 20 5 DEBDHN COc1cc(C[NH2+]C[C@@]2(C)CCCC[C@@H]2O)c([N+](=O)[O-])cc1[O-] ZINC001650660152 1079765873 /nfs/dbraw/zinc/76/58/73/1079765873.db2.gz YKACPLPSKIHCGE-JKSUJKDBSA-N 0 3 324.377 2.340 20 5 DEBDHN CN(CCCNCc1ccccc1[N+](=O)[O-])C(=O)c1ccco1 ZINC001268775772 1080982975 /nfs/dbraw/zinc/98/29/75/1080982975.db2.gz JSFRBZASFNMAES-UHFFFAOYSA-N 0 3 317.345 2.440 20 5 DEBDHN CC(C)(C)N1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC001320103324 1140821997 /nfs/dbraw/zinc/82/19/97/1140821997.db2.gz KEKDOOCTLFJTGY-UHFFFAOYSA-N 0 3 315.377 2.459 20 5 DEBDHN Cn1cc2c(n1)CCC[C@@H]2NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001338408847 1142854016 /nfs/dbraw/zinc/85/40/16/1142854016.db2.gz WQJAXNBGGFQGRL-HOCLYGCPSA-N 0 3 316.361 2.029 20 5 DEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@H](CO)c1cccnc1 ZINC001254549881 1143244220 /nfs/dbraw/zinc/24/42/20/1143244220.db2.gz YFHHAWYYYNAQOP-SWLSCSKDSA-N 0 3 301.346 2.244 20 5 DEBDHN CCc1nncn1CCN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000151521827 282119254 /nfs/dbraw/zinc/11/92/54/282119254.db2.gz OTLBBAYAGQUGGW-LBPRGKRZSA-N 0 3 303.366 2.408 20 5 DEBDHN Cn1nccc1N1CCC[C@@H](NCc2cccc([N+](=O)[O-])c2)C1 ZINC000278528215 214213729 /nfs/dbraw/zinc/21/37/29/214213729.db2.gz UKMZSAHTYFZGAD-CQSZACIVSA-N 0 3 315.377 2.087 20 5 DEBDHN CN(CCCc1ccccc1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090517292 185300068 /nfs/dbraw/zinc/30/00/68/185300068.db2.gz CEYOXTTWYLGFDF-UHFFFAOYSA-N 0 3 315.373 2.321 20 5 DEBDHN CN(C[C@H]1CCCN1C)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000092627229 185330213 /nfs/dbraw/zinc/33/02/13/185330213.db2.gz LAEWRTXTRVMLRO-LLVKDONJSA-N 0 3 311.769 2.414 20 5 DEBDHN CCOCCN(C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000181478670 199304176 /nfs/dbraw/zinc/30/41/76/199304176.db2.gz UYVFOUGAJQQVTB-UHFFFAOYSA-N 0 3 318.377 2.464 20 5 DEBDHN CN1CC[C@H]2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000272675296 210078816 /nfs/dbraw/zinc/07/88/16/210078816.db2.gz UNPPGAXCYAZMKP-ODINRWKCSA-N 0 3 315.373 2.161 20 5 DEBDHN C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000287051049 219288314 /nfs/dbraw/zinc/28/83/14/219288314.db2.gz JHGLQJHOZNKBOU-DOMZBBRYSA-N 0 3 303.362 2.294 20 5 DEBDHN C[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)N1CCC(C)CC1 ZINC000173285690 186172069 /nfs/dbraw/zinc/17/20/69/186172069.db2.gz QYAJYLRJFTYMGJ-CQSZACIVSA-N 0 3 319.405 2.374 20 5 DEBDHN COC(=O)CCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174243928 198310298 /nfs/dbraw/zinc/31/02/98/198310298.db2.gz KKKFWOMSORLVLZ-UHFFFAOYSA-N 0 3 308.334 2.001 20 5 DEBDHN C[C@H](C(=O)N[C@@H]1CCN(CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000617724552 363235184 /nfs/dbraw/zinc/23/51/84/363235184.db2.gz QJKUUAQBYLQTND-SWLSCSKDSA-N 0 3 317.389 2.299 20 5 DEBDHN C[C@@H](C(=O)N[C@@H]1CCN(CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000617724551 363235378 /nfs/dbraw/zinc/23/53/78/363235378.db2.gz QJKUUAQBYLQTND-IUODEOHRSA-N 0 3 317.389 2.299 20 5 DEBDHN CCN1CCC(N(C)C(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000045907610 354266858 /nfs/dbraw/zinc/26/68/58/354266858.db2.gz IAMIFBAEZHEBJF-UHFFFAOYSA-N 0 3 305.378 2.460 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCC[C@H](C)C1 ZINC000046878853 354295105 /nfs/dbraw/zinc/29/51/05/354295105.db2.gz RNENYELZVDCCOZ-LBPRGKRZSA-N 0 3 321.377 2.065 20 5 DEBDHN C[C@@H]1CCCN(CCNc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000047405031 354315698 /nfs/dbraw/zinc/31/56/98/354315698.db2.gz IMXLYYNVSVNWLX-SNVBAGLBSA-N 0 3 309.395 2.448 20 5 DEBDHN CC(=O)c1ccc(NC[C@@H](O)CN2CCCCC2)c([N+](=O)[O-])c1 ZINC000052131339 354395493 /nfs/dbraw/zinc/39/54/93/354395493.db2.gz WZBJAJBUJGJFJT-CQSZACIVSA-N 0 3 321.377 2.056 20 5 DEBDHN CN(CCNC(=O)c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000054281602 354457777 /nfs/dbraw/zinc/45/77/77/354457777.db2.gz SUERUNSAIQBOKG-UHFFFAOYSA-N 0 3 313.357 2.457 20 5 DEBDHN CCCN(CCCOc1ccc([N+](=O)[O-])cc1)CC(=O)N(C)C ZINC000056510222 354535397 /nfs/dbraw/zinc/53/53/97/354535397.db2.gz PEALGVYIEFEDGK-UHFFFAOYSA-N 0 3 323.393 2.164 20 5 DEBDHN CC(=O)NC[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000067413305 354761291 /nfs/dbraw/zinc/76/12/91/354761291.db2.gz GFLOOJPJXVXHBG-AWEZNQCLSA-N 0 3 305.378 2.251 20 5 DEBDHN CC(C)N1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000068776502 354831398 /nfs/dbraw/zinc/83/13/98/354831398.db2.gz MPNOIJRTRBYRCH-UHFFFAOYSA-N 0 3 309.341 2.290 20 5 DEBDHN CC(C)N1CCCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000068916361 354839269 /nfs/dbraw/zinc/83/92/69/354839269.db2.gz MAEFQGJKRKDQDZ-UHFFFAOYSA-N 0 3 309.395 2.225 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1CN1CCC(c2nc[nH]n2)CC1 ZINC000083446408 355467397 /nfs/dbraw/zinc/46/73/97/355467397.db2.gz LGCMVTFDYWSBJO-UHFFFAOYSA-N 0 3 317.349 2.101 20 5 DEBDHN Cc1c([C@H](C)N[C@@H](C)[C@@H]2CN(C)CCO2)cccc1[N+](=O)[O-] ZINC000090573707 355564313 /nfs/dbraw/zinc/56/43/13/355564313.db2.gz IHSCOTQHUKTSSS-XEZPLFJOSA-N 0 3 307.394 2.273 20 5 DEBDHN O=C(N[C@H]1CCN(CC2CC2)C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000136992669 355868892 /nfs/dbraw/zinc/86/88/92/355868892.db2.gz FKIAESUYJZGINB-NSHDSACASA-N 0 3 323.780 2.462 20 5 DEBDHN C[C@@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C1CCC1 ZINC000157621450 355955285 /nfs/dbraw/zinc/95/52/85/355955285.db2.gz JLGVCQGNEQDHRF-IAQYHMDHSA-N 0 3 303.362 2.478 20 5 DEBDHN Cc1c(NC(=O)CCN2CCC(C)(O)CC2)cccc1[N+](=O)[O-] ZINC000177295700 198700038 /nfs/dbraw/zinc/70/00/38/198700038.db2.gz LVJGTEFXKWOWHQ-UHFFFAOYSA-N 0 3 321.377 2.079 20 5 DEBDHN C[C@H](C(=O)NC[C@H]1CCCN(C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185222922 356204933 /nfs/dbraw/zinc/20/49/33/356204933.db2.gz GXXALBKZTDUJSR-NWDGAFQWSA-N 0 3 323.368 2.295 20 5 DEBDHN CCOc1cc(CN(C)C[C@@H](C)C(=O)OC)ccc1[N+](=O)[O-] ZINC000276886785 213154897 /nfs/dbraw/zinc/15/48/97/213154897.db2.gz JNEKXFZADCLGMA-LLVKDONJSA-N 0 3 310.350 2.234 20 5 DEBDHN CCCN(CCN1CCCC1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000287357919 283241315 /nfs/dbraw/zinc/24/13/15/283241315.db2.gz NPBFQUFQYSKNRX-UHFFFAOYSA-N 0 3 320.393 2.125 20 5 DEBDHN CCN1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000588068910 357392192 /nfs/dbraw/zinc/39/21/92/357392192.db2.gz OESDRYIOQWDSBF-LLVKDONJSA-N 0 3 301.350 2.068 20 5 DEBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000588823589 357427020 /nfs/dbraw/zinc/42/70/20/357427020.db2.gz JBUPUOVKUASIFY-QWHCGFSZSA-N 0 3 307.398 2.040 20 5 DEBDHN CO[C@@](C)(CNCc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000589737425 357492851 /nfs/dbraw/zinc/49/28/51/357492851.db2.gz ADJLTQHUDITLNZ-INIZCTEOSA-N 0 3 322.361 2.271 20 5 DEBDHN C[C@@H]1C[C@H](CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@@H](C)O1 ZINC000591265386 357697031 /nfs/dbraw/zinc/69/70/31/357697031.db2.gz HFECWTKFKUASHB-IJLUTSLNSA-N 0 3 322.361 2.269 20 5 DEBDHN COc1cc(C(=O)NCC2(N(C)C)CCC2)cc([N+](=O)[O-])c1C ZINC000276726971 213070094 /nfs/dbraw/zinc/07/00/94/213070094.db2.gz CPCDEJRPOLQCTB-UHFFFAOYSA-N 0 3 321.377 2.126 20 5 DEBDHN C[C@H](CO)C1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000593085712 358005468 /nfs/dbraw/zinc/00/54/68/358005468.db2.gz VTGPKMXVBOPWBQ-CYBMUJFWSA-N 0 3 308.378 2.314 20 5 DEBDHN CN(CCN1CCCCC1)c1nc2sccn2c1[N+](=O)[O-] ZINC000593515801 358094835 /nfs/dbraw/zinc/09/48/35/358094835.db2.gz KLYLUILLZPQNMX-UHFFFAOYSA-N 0 3 309.395 2.226 20 5 DEBDHN O=C1C[C@H](CNCc2ccc([N+](=O)[O-])cc2Cl)CN1C1CC1 ZINC000593682006 358122605 /nfs/dbraw/zinc/12/26/05/358122605.db2.gz PUIRXYJGJNLHNP-SNVBAGLBSA-N 0 3 323.780 2.349 20 5 DEBDHN O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594197140 358221711 /nfs/dbraw/zinc/22/17/11/358221711.db2.gz AHFSODDXVGKGLH-GDBMZVCRSA-N 0 3 317.389 2.270 20 5 DEBDHN NC(=O)c1cccc([N+](=O)[O-])c1N[C@H]1CCCN2CCCC[C@H]12 ZINC000594599271 358301571 /nfs/dbraw/zinc/30/15/71/358301571.db2.gz IQKXWZCVDXBRKO-QWHCGFSZSA-N 0 3 318.377 2.123 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H](CO)CC1CC1 ZINC000594984418 358372907 /nfs/dbraw/zinc/37/29/07/358372907.db2.gz UWUXYXDUKDUDKY-ZDUSSCGKSA-N 0 3 308.378 2.492 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1CCN(C2CC2)C1 ZINC000595012106 358377794 /nfs/dbraw/zinc/37/77/94/358377794.db2.gz NQJNRJSHUDZPMG-RYUDHWBXSA-N 0 3 305.378 2.491 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H]1CCOC[C@H]1OC ZINC000595040215 358382268 /nfs/dbraw/zinc/38/22/68/358382268.db2.gz DTUICZOGPZXDPR-MQIPJXDCSA-N 0 3 324.377 2.306 20 5 DEBDHN Cc1noc(CN2CCN(C3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000595344152 358427168 /nfs/dbraw/zinc/42/71/68/358427168.db2.gz ALEWPKBVXKYYFT-UHFFFAOYSA-N 0 3 308.382 2.342 20 5 DEBDHN Cc1cc(NC2CCN(CCN(C)C)CC2)c([N+](=O)[O-])s1 ZINC000596075545 358604670 /nfs/dbraw/zinc/60/46/70/358604670.db2.gz GVBPGCJMGWTVQS-UHFFFAOYSA-N 0 3 312.439 2.403 20 5 DEBDHN CC(C)(C)CCN1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596086983 358607885 /nfs/dbraw/zinc/60/78/85/358607885.db2.gz FOVZTKVMEKXPPE-UHFFFAOYSA-N 0 3 307.398 2.130 20 5 DEBDHN CC(C)C[N@@H+]1CCC[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596170844 358628584 /nfs/dbraw/zinc/62/85/84/358628584.db2.gz YAUPZWLLKCYAHU-GFCCVEGCSA-N 0 3 308.382 2.475 20 5 DEBDHN CC(C)C[N@H+]1CCC[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596170844 358628589 /nfs/dbraw/zinc/62/85/89/358628589.db2.gz YAUPZWLLKCYAHU-GFCCVEGCSA-N 0 3 308.382 2.475 20 5 DEBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CCN(C(C)(C)C)C2)n1 ZINC000596337117 358669594 /nfs/dbraw/zinc/66/95/94/358669594.db2.gz UJXRDONPWHSLHO-JTQLQIEISA-N 0 3 322.365 2.061 20 5 DEBDHN CC(C)[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CCN1 ZINC000596501345 358700741 /nfs/dbraw/zinc/70/07/41/358700741.db2.gz NLLJMLDEBMAJCP-CYBMUJFWSA-N 0 3 310.329 2.196 20 5 DEBDHN COc1cccc(C(=O)N[C@@H]2CCN(C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000597924850 359043103 /nfs/dbraw/zinc/04/31/03/359043103.db2.gz SYLWGPSNOMXXCW-LLVKDONJSA-N 0 3 321.377 2.206 20 5 DEBDHN CN1CC[C@@]2(C1)CCCN(C(=O)c1ccc(F)cc1[N+](=O)[O-])C2 ZINC000597716657 358987239 /nfs/dbraw/zinc/98/72/39/358987239.db2.gz RHQCIQPVPLQKQO-MRXNPFEDSA-N 0 3 321.352 2.292 20 5 DEBDHN CCCN1CC[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000598342551 359170757 /nfs/dbraw/zinc/17/07/57/359170757.db2.gz KKZBHQUFCCXFKX-NSHDSACASA-N 0 3 311.769 2.462 20 5 DEBDHN O=[N+]([O-])c1ccc(NCCN2CC[C@H](O)C2)c(C(F)(F)F)c1 ZINC000599198956 359430913 /nfs/dbraw/zinc/43/09/13/359430913.db2.gz CKLWSLSQQNASPV-JTQLQIEISA-N 0 3 319.283 2.092 20 5 DEBDHN CCn1nncc1CN[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000599060270 359392594 /nfs/dbraw/zinc/39/25/94/359392594.db2.gz FTVJIKPLNQHHQC-OAHLLOKOSA-N 0 3 315.377 2.317 20 5 DEBDHN Cc1ncccc1CNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000600762161 359822372 /nfs/dbraw/zinc/82/23/72/359822372.db2.gz OQWGZUPDXWZVEQ-UHFFFAOYSA-N 0 3 314.345 2.417 20 5 DEBDHN CC(C)N1CCC[C@@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601454324 360044816 /nfs/dbraw/zinc/04/48/16/360044816.db2.gz YZSMOYRTEXLENU-LLVKDONJSA-N 0 3 309.341 2.337 20 5 DEBDHN CC[C@H](C)[C@@H](CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1)OC ZINC000602438387 360372809 /nfs/dbraw/zinc/37/28/09/360372809.db2.gz ILMDBDMTOYXLBG-DZGCQCFKSA-N 0 3 322.409 2.173 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCS[C@@H]2CCCC[C@@H]21 ZINC000602789197 360555693 /nfs/dbraw/zinc/55/56/93/360555693.db2.gz SPAMEGOBCQNEJP-QWHCGFSZSA-N 0 3 310.423 2.460 20 5 DEBDHN CO[C@@]1(C)C[C@H](N(C)CCn2c(C)ncc2[N+](=O)[O-])C1(C)C ZINC000602783324 360551332 /nfs/dbraw/zinc/55/13/32/360551332.db2.gz KWIJFXZKLLUPBY-WFASDCNBSA-N 0 3 310.398 2.235 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC1(N(C)C)CC1 ZINC000602950925 360640561 /nfs/dbraw/zinc/64/05/61/360640561.db2.gz QIURSAFSAKBKRV-UHFFFAOYSA-N 0 3 306.366 2.427 20 5 DEBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CSCCN2)c2ccncc21 ZINC000603420705 360827063 /nfs/dbraw/zinc/82/70/63/360827063.db2.gz WXBAOTKJVJSCCM-SNVBAGLBSA-N 0 3 304.375 2.260 20 5 DEBDHN CCN(C[C@H]1CCOC1)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000611205156 361548687 /nfs/dbraw/zinc/54/86/87/361548687.db2.gz KDGZTBYQIDLAGT-CHWSQXEVSA-N 0 3 321.377 2.280 20 5 DEBDHN CC[C@@H](NCCc1nncn1CC)c1cccc([N+](=O)[O-])c1 ZINC000611336053 361581613 /nfs/dbraw/zinc/58/16/13/361581613.db2.gz YQUVGOXIEPZYJS-CQSZACIVSA-N 0 3 303.366 2.490 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC=CCC1 ZINC000611517631 361621081 /nfs/dbraw/zinc/62/10/81/361621081.db2.gz YXILKFMBCGEHDE-UHFFFAOYSA-N 0 3 305.334 2.194 20 5 DEBDHN Cc1ccc(CN[C@H](C)Cc2ccccc2[N+](=O)[O-])c(=O)n1C ZINC000449286810 240310161 /nfs/dbraw/zinc/31/01/61/240310161.db2.gz INJDHCMCJIWVKL-GFCCVEGCSA-N 0 3 315.373 2.323 20 5 DEBDHN COC[C@H](N[C@H](C)Cc1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000449292835 240320806 /nfs/dbraw/zinc/32/08/06/240320806.db2.gz RWPDPXJRNNLMHO-IVMMDQJWSA-N 0 3 308.378 2.309 20 5 DEBDHN C[C@H](CN(C)Cc1ccccc1)Nc1c([N+](=O)[O-])ncn1C ZINC000271753419 209183696 /nfs/dbraw/zinc/18/36/96/209183696.db2.gz CEZJEQDQQJKGBJ-GFCCVEGCSA-N 0 3 303.366 2.261 20 5 DEBDHN CO[C@@H]1C[C@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1(C)C ZINC000451510741 243048843 /nfs/dbraw/zinc/04/88/43/243048843.db2.gz VPPAOGGXVNOCMK-QWHCGFSZSA-N 0 3 304.350 2.374 20 5 DEBDHN COC(=O)CC1(CN(C)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000282476197 217023012 /nfs/dbraw/zinc/02/30/12/217023012.db2.gz OHMPEXCDNMPQQT-UHFFFAOYSA-N 0 3 306.362 2.412 20 5 DEBDHN CO[C@]1(CNCc2ccc(Cl)cc2[N+](=O)[O-])CCOC1 ZINC000160278833 197397197 /nfs/dbraw/zinc/39/71/97/197397197.db2.gz PSRWXALDULWGKK-ZDUSSCGKSA-N 0 3 300.742 2.143 20 5 DEBDHN C[C@H](NC(=O)N[C@H]1CCN(C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000454640380 246015928 /nfs/dbraw/zinc/01/59/28/246015928.db2.gz KCBKOIHFTMLWLI-AAEUAGOBSA-N 0 3 318.377 2.192 20 5 DEBDHN CCN(CC)CC(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000156089159 291615226 /nfs/dbraw/zinc/61/52/26/291615226.db2.gz YTNHPIRARAFBJE-UHFFFAOYSA-N 0 3 322.409 2.163 20 5 DEBDHN O=[N+]([O-])c1ccn(CCN2CC[C@H](c3ccc(F)cc3)C2)n1 ZINC000268015656 206397704 /nfs/dbraw/zinc/39/77/04/206397704.db2.gz HXMFZYITELFABZ-ZDUSSCGKSA-N 0 3 304.325 2.420 20 5 DEBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000492123932 249002524 /nfs/dbraw/zinc/00/25/24/249002524.db2.gz DSJZPNIPQBSGPG-JAHYTXJSSA-N 0 3 315.373 2.207 20 5 DEBDHN CN(C)CC1(NC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CCC1 ZINC000492620604 249101531 /nfs/dbraw/zinc/10/15/31/249101531.db2.gz SUKYPQYNOSTJNV-ALCCZGGFSA-N 0 3 321.352 2.348 20 5 DEBDHN CN(C)C/C=C\C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000493244128 249258480 /nfs/dbraw/zinc/25/84/80/249258480.db2.gz YTRJJPSTOBXPMZ-VOKGJARPSA-N 0 3 317.389 2.419 20 5 DEBDHN CCOC(=O)[C@H](C)[C@H](C)NCCOc1ccccc1[N+](=O)[O-] ZINC000273993392 211250583 /nfs/dbraw/zinc/25/05/83/211250583.db2.gz JXJJXKZSFKPPPA-NEPJUHHUSA-N 0 3 310.350 2.151 20 5 DEBDHN CN(C)CCN(Cc1cccc(F)c1)c1ncc([N+](=O)[O-])cn1 ZINC000273716135 211000194 /nfs/dbraw/zinc/00/01/94/211000194.db2.gz GATNPZBDZHTFFT-UHFFFAOYSA-N 0 3 319.340 2.092 20 5 DEBDHN C[C@@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)N(C)C1CC1 ZINC000057719781 184050019 /nfs/dbraw/zinc/05/00/19/184050019.db2.gz MRDWYBFDTZLOPY-NSHDSACASA-N 0 3 323.418 2.286 20 5 DEBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)N(C)C1CC1 ZINC000057716039 184048505 /nfs/dbraw/zinc/04/85/05/184048505.db2.gz DKGONRRPOUIDNN-VIFPVBQESA-N 0 3 311.769 2.461 20 5 DEBDHN C[C@@H](N[C@H](CO)Cc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294524508 224071103 /nfs/dbraw/zinc/07/11/03/224071103.db2.gz ZMNSLNXBIMVMEA-DOMZBBRYSA-N 0 3 315.373 2.431 20 5 DEBDHN O=[N+]([O-])c1ccc(N2CC[C@@H](N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000072089577 285128195 /nfs/dbraw/zinc/12/81/95/285128195.db2.gz IPBYZCCYMLNOPB-GFCCVEGCSA-N 0 3 306.322 2.178 20 5 DEBDHN O=[N+]([O-])c1ccccc1CNCCc1cn2c(n1)SCC2 ZINC000274251828 285160858 /nfs/dbraw/zinc/16/08/58/285160858.db2.gz KIOJLNHMOFNAEK-UHFFFAOYSA-N 0 3 304.375 2.229 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000156070649 197084164 /nfs/dbraw/zinc/08/41/64/197084164.db2.gz UERYLDGPIIGQAX-AWEZNQCLSA-N 0 3 316.361 2.381 20 5 DEBDHN Cc1ccc(C(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000120914382 195262684 /nfs/dbraw/zinc/26/26/84/195262684.db2.gz GTABZOVHLHFSSB-GXTWGEPZSA-N 0 3 305.378 2.315 20 5 DEBDHN COc1cc(CN[C@@H](CO)C2CCCC2)c([N+](=O)[O-])cc1F ZINC000289630911 221115254 /nfs/dbraw/zinc/11/52/54/221115254.db2.gz UDOFBYPQAUXSQG-ZDUSSCGKSA-N 0 3 312.341 2.383 20 5 DEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@@H](O)COCC1CC1 ZINC000344860844 533409323 /nfs/dbraw/zinc/40/93/23/533409323.db2.gz NQLXYJFFCPCVOS-SDSFWRRZSA-N 0 3 320.389 2.375 20 5 DEBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC(c3cn[nH]c3)CC2)c1 ZINC000366637383 131110701 /nfs/dbraw/zinc/11/07/01/131110701.db2.gz JLLFAKDZINJVOG-INIZCTEOSA-N 0 3 316.361 2.231 20 5 DEBDHN COc1c(C(=O)N2CCCN(C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000355616728 133037602 /nfs/dbraw/zinc/03/76/02/133037602.db2.gz CMZWXMSSYYNOMO-UHFFFAOYSA-N 0 3 321.377 2.160 20 5 DEBDHN C[C@@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCCOC1 ZINC000355781363 133047457 /nfs/dbraw/zinc/04/74/57/133047457.db2.gz WUTAUGZBMBDARE-NEPJUHHUSA-N 0 3 322.361 2.366 20 5 DEBDHN C[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)N(C)C ZINC000358093320 133120463 /nfs/dbraw/zinc/12/04/63/133120463.db2.gz MESKIQMMFXFECY-SNVBAGLBSA-N 0 3 311.357 2.078 20 5 DEBDHN COc1cc(C(=O)N(C)CCN2CCCC2)cc([N+](=O)[O-])c1C ZINC000359606369 133134282 /nfs/dbraw/zinc/13/42/82/133134282.db2.gz OZKYXKGDLPGFQV-UHFFFAOYSA-N 0 3 321.377 2.080 20 5 DEBDHN O=[N+]([O-])c1ccc(CN[C@H](CO)C2CCOCC2)c(Cl)c1 ZINC000359863916 133149781 /nfs/dbraw/zinc/14/97/81/133149781.db2.gz YGCLEWSRZCENFU-CQSZACIVSA-N 0 3 314.769 2.125 20 5 DEBDHN CCN1CCN([C@H](C)CNc2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000359904904 133151543 /nfs/dbraw/zinc/15/15/43/133151543.db2.gz UGDGYPPSIRESTJ-CYBMUJFWSA-N 0 3 324.400 2.480 20 5 DEBDHN COCCO[C@@H]1COCC[C@H]1N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000362698220 133246215 /nfs/dbraw/zinc/24/62/15/133246215.db2.gz HTIDAJCGILINGC-APHBMKBZSA-N 0 3 324.377 2.066 20 5 DEBDHN C[C@H]1C[C@@H](c2cccnc2)N(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000376549807 133299871 /nfs/dbraw/zinc/29/98/71/133299871.db2.gz BEDNJDHARNJNGB-JSGCOSHPSA-N 0 3 301.350 2.269 20 5 DEBDHN CCC[C@H](NCCc1ncn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000316057801 145361428 /nfs/dbraw/zinc/36/14/28/145361428.db2.gz DKUUENCCKIGPQO-AWEZNQCLSA-N 0 3 303.366 2.397 20 5 DEBDHN CCC[C@@H](NCCc1ncn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000316057804 145361589 /nfs/dbraw/zinc/36/15/89/145361589.db2.gz DKUUENCCKIGPQO-CQSZACIVSA-N 0 3 303.366 2.397 20 5 DEBDHN C[C@@H]1[C@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CCCN1C ZINC000346407604 146077188 /nfs/dbraw/zinc/07/71/88/146077188.db2.gz MPOKUHAWHAJSRJ-TZMCWYRMSA-N 0 3 319.405 2.471 20 5 DEBDHN C[C@H](CN(C)C)NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000358494555 147145178 /nfs/dbraw/zinc/14/51/78/147145178.db2.gz BQLXTCGXQMJYHJ-LLVKDONJSA-N 0 3 308.382 2.079 20 5 DEBDHN C[C@H](C(=O)N1CC[S@@](=O)CC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000565635665 292174043 /nfs/dbraw/zinc/17/40/43/292174043.db2.gz ANNSNICWFDBTMR-DMDKVIGKSA-N 0 3 324.402 2.068 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000374882097 148301057 /nfs/dbraw/zinc/30/10/57/148301057.db2.gz PJNDUMSHZATFGX-DOMZBBRYSA-N 0 3 303.362 2.069 20 5 DEBDHN Cc1c([C@@H](C)NC[C@H](O)COCC2CC2)cccc1[N+](=O)[O-] ZINC000129909927 401811570 /nfs/dbraw/zinc/81/15/70/401811570.db2.gz XSDPOLGBXWARLG-OCCSQVGLSA-N 0 3 308.378 2.341 20 5 DEBDHN NC(=O)[C@@H]1CCCC[C@@H]1NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000130788054 401838482 /nfs/dbraw/zinc/83/84/82/401838482.db2.gz NXVSMHXVRSXHKP-NEPJUHHUSA-N 0 3 311.769 2.382 20 5 DEBDHN CCN(CCNC(=O)/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000078496231 401853027 /nfs/dbraw/zinc/85/30/27/401853027.db2.gz KUSUNLVJRZVIDP-JXMROGBWSA-N 0 3 303.362 2.209 20 5 DEBDHN CC(C)OC[C@H](O)CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130009590 401815494 /nfs/dbraw/zinc/81/54/94/401815494.db2.gz LSGYPSBQVRUWBF-MRXNPFEDSA-N 0 3 308.378 2.345 20 5 DEBDHN O=C(CCc1cccc([N+](=O)[O-])c1)NC1CCN(C2CC2)CC1 ZINC000087033639 401926079 /nfs/dbraw/zinc/92/60/79/401926079.db2.gz WEAQCWWEQAADOY-UHFFFAOYSA-N 0 3 317.389 2.270 20 5 DEBDHN CN(C)[C@H]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000134777216 401913888 /nfs/dbraw/zinc/91/38/88/401913888.db2.gz CXJCHJYVXPHLCZ-LBPRGKRZSA-N 0 3 311.769 2.414 20 5 DEBDHN CCOC(=O)[C@@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000046037590 401964742 /nfs/dbraw/zinc/96/47/42/401964742.db2.gz VLMPUPPWIWOSSH-CYBMUJFWSA-N 0 3 322.361 2.249 20 5 DEBDHN CC(C)N(CCN(C)C)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000151838096 402059993 /nfs/dbraw/zinc/05/99/93/402059993.db2.gz WNFSEHCBQPQPNR-UHFFFAOYSA-N 0 3 323.393 2.162 20 5 DEBDHN CN(Cc1ccccc1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000122779547 402094034 /nfs/dbraw/zinc/09/40/34/402094034.db2.gz MNZDVRLHCKDZNB-OAHLLOKOSA-N 0 3 316.357 2.467 20 5 DEBDHN Cc1c([C@@H](C)NC[C@H](C)N2CCOCC2)cccc1[N+](=O)[O-] ZINC000123376717 402124394 /nfs/dbraw/zinc/12/43/94/402124394.db2.gz CPCRYMYXZDJIMA-GXTWGEPZSA-N 0 3 307.394 2.275 20 5 DEBDHN Cc1cc(C(=O)N(C)CC2CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000103450219 402188438 /nfs/dbraw/zinc/18/84/38/402188438.db2.gz VFFPQGFRCWZBOQ-UHFFFAOYSA-N 0 3 305.378 2.317 20 5 DEBDHN COc1ccc([C@H]2CCN(CCn3ccc([N+](=O)[O-])n3)C2)cc1 ZINC000176223289 402292058 /nfs/dbraw/zinc/29/20/58/402292058.db2.gz AVLADYPSPMEUSN-AWEZNQCLSA-N 0 3 316.361 2.289 20 5 DEBDHN C[C@@H]1C[C@@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])CN1C1CC1 ZINC000177084020 402368035 /nfs/dbraw/zinc/36/80/35/402368035.db2.gz JLZYTVQLPTXCCS-MWLCHTKSSA-N 0 3 307.325 2.089 20 5 DEBDHN Cc1c(NC(=O)[C@@H](C)N[C@@H](CCO)C(C)C)cccc1[N+](=O)[O-] ZINC000162046038 402408037 /nfs/dbraw/zinc/40/80/37/402408037.db2.gz RIBORPDVUBLRSN-OLZOCXBDSA-N 0 3 323.393 2.227 20 5 DEBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000246166761 402514650 /nfs/dbraw/zinc/51/46/50/402514650.db2.gz FONLOPZDCFAQBT-IUODEOHRSA-N 0 3 320.393 2.076 20 5 DEBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@]3(O)CCOC3)o2)cc1 ZINC000179024109 402565673 /nfs/dbraw/zinc/56/56/73/402565673.db2.gz YYIZOYGRPSUWHM-MRXNPFEDSA-N 0 3 318.329 2.096 20 5 DEBDHN CC[C@H](NCCN1CCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000178767943 402536866 /nfs/dbraw/zinc/53/68/66/402536866.db2.gz QBHRVTIBXQTNBI-CJNGLKHVSA-N 0 3 307.394 2.356 20 5 DEBDHN CO[C@H](C)CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000191151260 402645927 /nfs/dbraw/zinc/64/59/27/402645927.db2.gz UWLPHNDOUMVMES-LLVKDONJSA-N 0 3 304.350 2.120 20 5 DEBDHN O=[N+]([O-])c1ccc(N2CCN(CCCn3ccnc3)CC2)cc1 ZINC000182617893 402704028 /nfs/dbraw/zinc/70/40/28/402704028.db2.gz DRRLPQIFANYCIQ-UHFFFAOYSA-N 0 3 315.377 2.004 20 5 DEBDHN CN(C(=O)/C=C\c1ccccc1[N+](=O)[O-])[C@H]1CCCN(C)C1 ZINC000255180341 402681186 /nfs/dbraw/zinc/68/11/86/402681186.db2.gz XMDKITATKYACRM-CMUBDUJZSA-N 0 3 303.362 2.161 20 5 DEBDHN O=C(Cc1cccc([N+](=O)[O-])c1)NCCN1CCCCCC1 ZINC000173068656 402684582 /nfs/dbraw/zinc/68/45/82/402684582.db2.gz SLSLQPPJVYTUOV-UHFFFAOYSA-N 0 3 305.378 2.130 20 5 DEBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000255437871 402687594 /nfs/dbraw/zinc/68/75/94/402687594.db2.gz GKUYHFPSGLBBLG-WHLNPGIBSA-N 0 3 317.389 2.408 20 5 DEBDHN COCCN1CC[C@H](Nc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000271298871 402855178 /nfs/dbraw/zinc/85/51/78/402855178.db2.gz JTZXPRWNQVZOMY-LBPRGKRZSA-N 0 3 316.361 2.276 20 5 DEBDHN CN1CC[C@@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000272370775 402929034 /nfs/dbraw/zinc/92/90/34/402929034.db2.gz GOPVWHLRLWCAEX-BXUZGUMPSA-N 0 3 304.350 2.153 20 5 DEBDHN CNC(=O)[C@]1(C)CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000280713648 403029336 /nfs/dbraw/zinc/02/93/36/403029336.db2.gz HQCMSAVPJPHWIT-BLLLJJGKSA-N 0 3 305.378 2.422 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCN(C(C)C)C2)c1 ZINC000274440364 403055725 /nfs/dbraw/zinc/05/57/25/403055725.db2.gz HKKFVQOHEHRYOJ-GFCCVEGCSA-N 0 3 321.377 2.206 20 5 DEBDHN Cc1ccc(N[C@@H](C)CCN2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000274502929 403062275 /nfs/dbraw/zinc/06/22/75/403062275.db2.gz SKCVDPVWULVGMR-AWEZNQCLSA-N 0 3 306.410 2.341 20 5 DEBDHN CN(CCN(C)C1CC1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000274528213 403064323 /nfs/dbraw/zinc/06/43/23/403064323.db2.gz AXWXHQMFOIDEET-UHFFFAOYSA-N 0 3 316.361 2.242 20 5 DEBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000268243959 403066209 /nfs/dbraw/zinc/06/62/09/403066209.db2.gz VNRDMKFWBOACJM-OTYXRUKQSA-N 0 3 323.780 2.461 20 5 DEBDHN CN(CCN(C)C1CC1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000274565789 403067725 /nfs/dbraw/zinc/06/77/25/403067725.db2.gz LAUALZBVPRVVPG-UHFFFAOYSA-N 0 3 319.405 2.425 20 5 DEBDHN Cc1cc(N(CCN(C)C)Cc2ccco2)ncc1[N+](=O)[O-] ZINC000268281300 403070051 /nfs/dbraw/zinc/07/00/51/403070051.db2.gz BDPTZPLOMKXBAB-UHFFFAOYSA-N 0 3 304.350 2.459 20 5 DEBDHN CS[C@H]1CN(c2ccc([N+](=O)[O-])c(C)n2)C[C@H]1N1CCCC1 ZINC000274635025 403073688 /nfs/dbraw/zinc/07/36/88/403073688.db2.gz CZTZHMFWYSNOJX-KGLIPLIRSA-N 0 3 322.434 2.314 20 5 DEBDHN CN(C)CC1(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CCC1 ZINC000281776895 403090698 /nfs/dbraw/zinc/09/06/98/403090698.db2.gz RGCUXKKXJXADTB-UHFFFAOYSA-N 0 3 316.361 2.290 20 5 DEBDHN CCOc1ccc([C@@H](C)N[C@H](CO)CCOC)cc1[N+](=O)[O-] ZINC000281778157 403090885 /nfs/dbraw/zinc/09/08/85/403090885.db2.gz XCRZWNGGWDOIBV-YPMHNXCESA-N 0 3 312.366 2.042 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000275633597 403111096 /nfs/dbraw/zinc/11/10/96/403111096.db2.gz VYRVXVXPIXNJDY-ZDUSSCGKSA-N 0 3 307.394 2.185 20 5 DEBDHN CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)C[C@H]1N(C)C ZINC000270542170 403199461 /nfs/dbraw/zinc/19/94/61/403199461.db2.gz XVAWLGRCWRMECW-ZIAGYGMSSA-N 0 3 323.418 2.021 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NCCN1CCC(C)CC1 ZINC000277559994 403231062 /nfs/dbraw/zinc/23/10/62/403231062.db2.gz JWDFHBOQQHPSIZ-UHFFFAOYSA-N 0 3 321.377 2.065 20 5 DEBDHN Cc1cc(C(=O)N2CC[C@]3(CCN(C)C3)C2)ccc1[N+](=O)[O-] ZINC000292138671 403303208 /nfs/dbraw/zinc/30/32/08/403303208.db2.gz HRWXHCSBQNZPNP-INIZCTEOSA-N 0 3 303.362 2.071 20 5 DEBDHN CC(=O)N[C@H](C)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000331152162 403340576 /nfs/dbraw/zinc/34/05/76/403340576.db2.gz XMENZIHZWDSDSW-GFCCVEGCSA-N 0 3 305.378 2.331 20 5 DEBDHN C[C@@H](O)[C@@H]1C[C@H](C)CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000331292416 403371781 /nfs/dbraw/zinc/37/17/81/403371781.db2.gz QADCTTAZPOCHDJ-NFAWXSAZSA-N 0 3 308.378 2.455 20 5 DEBDHN COCCN(C)CCCNc1ccc([N+](=O)[O-])cc1C(C)=O ZINC000286288847 403491310 /nfs/dbraw/zinc/49/13/10/403491310.db2.gz XRXUAADTHUEXTG-UHFFFAOYSA-N 0 3 309.366 2.178 20 5 DEBDHN CN(Cc1ccccc1)C1CN(c2ccc(N)cc2[N+](=O)[O-])C1 ZINC000286255675 403483050 /nfs/dbraw/zinc/48/30/50/403483050.db2.gz GGNZXVHVFSWSEC-UHFFFAOYSA-N 0 3 312.373 2.498 20 5 DEBDHN CCN1CCC[C@H]1CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000299174517 403541190 /nfs/dbraw/zinc/54/11/90/403541190.db2.gz WTELYLRWNRPOLW-LBPRGKRZSA-N 0 3 316.361 2.290 20 5 DEBDHN CN1CCC[C@]2(CCN(C(=O)c3csc([N+](=O)[O-])c3)C2)C1 ZINC000293852610 403580838 /nfs/dbraw/zinc/58/08/38/403580838.db2.gz DESCUFMKEUGFKQ-AWEZNQCLSA-N 0 3 309.391 2.214 20 5 DEBDHN C[C@H]1C[C@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCN1C ZINC000347259757 403640449 /nfs/dbraw/zinc/64/04/49/403640449.db2.gz DIYLBRHOAIOXOH-GXSJLCMTSA-N 0 3 310.329 2.338 20 5 DEBDHN COc1ccc(OCCN2CC[C@H](CO)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000289073800 403825219 /nfs/dbraw/zinc/82/52/19/403825219.db2.gz SJAPLTVARUPVBW-STQMWFEESA-N 0 3 324.377 2.075 20 5 DEBDHN COc1ccc(CNC(=O)CN2[C@H](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000344186033 403964866 /nfs/dbraw/zinc/96/48/66/403964866.db2.gz DMGIGNNEZRCMCS-TXEJJXNPSA-N 0 3 321.377 2.092 20 5 DEBDHN CC1(C)C[C@@H](O)CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000295564657 403993253 /nfs/dbraw/zinc/99/32/53/403993253.db2.gz UFIABOVWTMOXOV-ZDUSSCGKSA-N 0 3 308.378 2.457 20 5 DEBDHN COCC[C@H](CO)NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000341562495 404035427 /nfs/dbraw/zinc/03/54/27/404035427.db2.gz IQEMUJYPDXAUOF-GFCCVEGCSA-N 0 3 320.345 2.342 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1CN1CC[C@H](c2nc(C)n[nH]2)C1 ZINC000412028453 404065834 /nfs/dbraw/zinc/06/58/34/404065834.db2.gz MVIJMDSQBWAWPQ-NSHDSACASA-N 0 3 317.349 2.019 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1CN1CC[C@H](c2n[nH]c(C)n2)C1 ZINC000412028453 404065847 /nfs/dbraw/zinc/06/58/47/404065847.db2.gz MVIJMDSQBWAWPQ-NSHDSACASA-N 0 3 317.349 2.019 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1CN1CC[C@H](c2nnc(C)[nH]2)C1 ZINC000412028453 404065854 /nfs/dbraw/zinc/06/58/54/404065854.db2.gz MVIJMDSQBWAWPQ-NSHDSACASA-N 0 3 317.349 2.019 20 5 DEBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@H](Oc3ccccc3)C2)c1 ZINC000369999601 404299583 /nfs/dbraw/zinc/29/95/83/404299583.db2.gz VOAXKDBMHGERBQ-INIZCTEOSA-N 0 3 316.361 2.335 20 5 DEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@H](O)COCC1CC1 ZINC000344860842 404410327 /nfs/dbraw/zinc/41/03/27/404410327.db2.gz NQLXYJFFCPCVOS-FUIJVIPGSA-N 0 3 320.389 2.375 20 5 DEBDHN C[C@H]1[C@@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCCN1C ZINC000345006823 404496087 /nfs/dbraw/zinc/49/60/87/404496087.db2.gz LLZFPWZQEXKSAI-JQWIXIFHSA-N 0 3 316.361 2.289 20 5 DEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@@H]1CCCS1(=O)=O ZINC000345021471 404501912 /nfs/dbraw/zinc/50/19/12/404501912.db2.gz SBERHOKVIVPTPW-JQVXPOPVSA-N 0 3 324.402 2.165 20 5 DEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@@H]1CC(=O)N(C2CC2)C1 ZINC000345045523 404514903 /nfs/dbraw/zinc/51/49/03/404514903.db2.gz VODRIMSXGBMTNI-WEKMIXOTSA-N 0 3 315.373 2.351 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1CN1CC[C@H]([C@H]2CCOC2)C1 ZINC000373777551 404587637 /nfs/dbraw/zinc/58/76/37/404587637.db2.gz MWJKNCCMHZUJSK-JSGCOSHPSA-N 0 3 306.362 2.462 20 5 DEBDHN CC(C)[C@H]1CN(C)CCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000342374467 404539477 /nfs/dbraw/zinc/53/94/77/404539477.db2.gz UBWSOAPADDXQFB-LLVKDONJSA-N 0 3 321.406 2.376 20 5 DEBDHN CN1CC[C@]2(CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)C2)C1 ZINC000291905155 404572529 /nfs/dbraw/zinc/57/25/29/404572529.db2.gz PZAIYNYEFSJCJU-HNNXBMFYSA-N 0 3 322.340 2.293 20 5 DEBDHN C[C@H](N[C@@H]1CCC[C@@]1(C)CO)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000351520811 404623237 /nfs/dbraw/zinc/62/32/37/404623237.db2.gz YNMPZBWZVTYIBB-PEYYIBSZSA-N 0 3 321.377 2.063 20 5 DEBDHN C[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H](C)CN1C ZINC000330572773 404691407 /nfs/dbraw/zinc/69/14/07/404691407.db2.gz DQWDODYGRDQBNB-GHMZBOCLSA-N 0 3 306.366 2.003 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1N1CCC(OCCN(C)C)CC1 ZINC000357268799 404730959 /nfs/dbraw/zinc/73/09/59/404730959.db2.gz YXBBAZKUHDDCGL-UHFFFAOYSA-N 0 3 307.394 2.450 20 5 DEBDHN CC(C)(C)[C@H]1NC(=O)CC[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000353145662 404753167 /nfs/dbraw/zinc/75/31/67/404753167.db2.gz WWJAWMKGWPUFDI-HIFRSBDPSA-N 0 3 305.378 2.378 20 5 DEBDHN Cc1c(NC(=O)NC[C@H]2NC(C)(C)O[C@H]2C)cccc1[N+](=O)[O-] ZINC000414699083 404711356 /nfs/dbraw/zinc/71/13/56/404711356.db2.gz JGABYADINUOCEV-CMPLNLGQSA-N 0 3 322.365 2.138 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000415292059 404841560 /nfs/dbraw/zinc/84/15/60/404841560.db2.gz HDDQELDAGGOFHM-GHMZBOCLSA-N 0 3 306.366 2.426 20 5 DEBDHN CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CC(O)C1 ZINC000353487251 404844382 /nfs/dbraw/zinc/84/43/82/404844382.db2.gz DLURWYLPNPUWAL-UHFFFAOYSA-N 0 3 317.345 2.247 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnc2c(c1)CNCC2 ZINC000378403699 404955243 /nfs/dbraw/zinc/95/52/43/404955243.db2.gz OFWVSQBVHQEWDY-UHFFFAOYSA-N 0 3 312.329 2.196 20 5 DEBDHN O=C(NC[C@@H]1CNCCO1)c1cc2ccccc2c2cccnc12 ZINC000423997265 404965412 /nfs/dbraw/zinc/96/54/12/404965412.db2.gz YCFBJBAOCWBNQO-AWEZNQCLSA-N 0 3 321.380 2.106 20 5 DEBDHN COc1ccc(OCCN2CC[C@@H](CCCO)C2)c([N+](=O)[O-])c1 ZINC000452136224 405192697 /nfs/dbraw/zinc/19/26/97/405192697.db2.gz XSVOIDVKNQYWNS-CYBMUJFWSA-N 0 3 324.377 2.077 20 5 DEBDHN CNC(=O)C[C@H](C)N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000453351620 405290672 /nfs/dbraw/zinc/29/06/72/405290672.db2.gz GOHZXHQATHJCHW-HZMBPMFUSA-N 0 3 305.378 2.431 20 5 DEBDHN COCC(C)(C)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000426399558 405357764 /nfs/dbraw/zinc/35/77/64/405357764.db2.gz AMWWXQKXCNNKSM-LBPRGKRZSA-N 0 3 308.382 2.149 20 5 DEBDHN C[C@H](CNc1c(C(N)=O)cccc1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000420590495 405358498 /nfs/dbraw/zinc/35/84/98/405358498.db2.gz VMMYMYSGQLSUBH-VXGBXAGGSA-N 0 3 320.393 2.226 20 5 DEBDHN CCCCN(C)CCNC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000444272425 405341012 /nfs/dbraw/zinc/34/10/12/405341012.db2.gz XCYYLRKZVZPAPJ-UHFFFAOYSA-N 0 3 309.366 2.065 20 5 DEBDHN C[C@H](C(=O)N(C)C[C@H]1CCCN1C)c1ccc([N+](=O)[O-])cc1F ZINC000421710417 405606690 /nfs/dbraw/zinc/60/66/90/405606690.db2.gz KMKAFCVKAWWJJB-WCQYABFASA-N 0 3 323.368 2.390 20 5 DEBDHN CCN1C[C@@H](NC/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1=O ZINC000449518022 405592605 /nfs/dbraw/zinc/59/26/05/405592605.db2.gz MEHNETMKNBMXNX-VDBIKXPHSA-N 0 3 303.362 2.209 20 5 DEBDHN CC(C)N1CC[C@H](N(C)C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000457090909 405693122 /nfs/dbraw/zinc/69/31/22/405693122.db2.gz MLVQFWWJMWXAGH-INIZCTEOSA-N 0 3 319.405 2.469 20 5 DEBDHN COC(=O)Cc1ccc(N[C@@H]2CCN(C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000450355062 405852317 /nfs/dbraw/zinc/85/23/17/405852317.db2.gz PLYXOTSZHXBSJN-DGCLKSJQSA-N 0 3 321.377 2.205 20 5 DEBDHN CC[C@@H](C)N1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000450852941 405983842 /nfs/dbraw/zinc/98/38/42/405983842.db2.gz AOFOUIIWCDDQDR-GFCCVEGCSA-N 0 3 315.377 2.459 20 5 DEBDHN CN1CCC[C@@H](CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000518143384 406129387 /nfs/dbraw/zinc/12/93/87/406129387.db2.gz IMGJHZVEYCMJFR-NSHDSACASA-N 0 3 316.361 2.148 20 5 DEBDHN C[C@@H]1CCN(CCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000525292594 406482769 /nfs/dbraw/zinc/48/27/69/406482769.db2.gz BEQQANMLDFHSCU-LLVKDONJSA-N 0 3 316.361 2.148 20 5 DEBDHN C[C@@H]1C[C@H](NC(=O)/C=C\c2ccccc2[N+](=O)[O-])CCN1C ZINC000491915893 406776905 /nfs/dbraw/zinc/77/69/05/406776905.db2.gz QHBHXMUFDSQVHV-GGJXWIKRSA-N 0 3 303.362 2.207 20 5 DEBDHN O=[N+]([O-])c1ccc(CN2CCC[C@H](N3CCOCC3)CC2)cc1 ZINC000556083946 406860976 /nfs/dbraw/zinc/86/09/76/406860976.db2.gz RDZJERRGINJGKP-INIZCTEOSA-N 0 3 319.405 2.282 20 5 DEBDHN CN1CCC(n2ccc(NCc3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000366749783 424864490 /nfs/dbraw/zinc/86/44/90/424864490.db2.gz GXULTPZAUDFJDR-UHFFFAOYSA-N 0 3 315.377 2.670 20 5 DEBDHN CC(C)Oc1nc(NC2CCN(C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000575814686 424947259 /nfs/dbraw/zinc/94/72/59/424947259.db2.gz ABQHOBSCOXGCPS-UHFFFAOYSA-N 0 3 320.393 2.816 20 5 DEBDHN C[C@H](Nc1ccc(N)c([N+](=O)[O-])n1)[C@@H](c1ccccc1)N(C)C ZINC000596217119 425021633 /nfs/dbraw/zinc/02/16/33/425021633.db2.gz NINGKLUGMNJTAG-NHYWBVRUSA-N 0 3 315.377 2.675 20 5 DEBDHN Cc1cc(NCCC2(CO)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000395949290 269103139 /nfs/dbraw/zinc/10/31/39/269103139.db2.gz SCUMASSWEKLXDT-UHFFFAOYSA-N 0 3 301.346 2.448 20 5 DEBDHN CC1(C)C[C@H](NC[C@H]2CC[C@H](CO)O2)c2cc([N+](=O)[O-])ccc21 ZINC000340409505 275868302 /nfs/dbraw/zinc/86/83/02/275868302.db2.gz BVTQHAVQDDADBY-IOASZLSFSA-N 0 3 320.389 2.447 20 5 DEBDHN CN1CC[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000272634261 277175629 /nfs/dbraw/zinc/17/56/29/277175629.db2.gz NMEZAQXYVGJZCH-IINYFYTJSA-N 0 3 323.780 2.414 20 5 DEBDHN CN(C)C1(CNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CCC1 ZINC000492963146 289042854 /nfs/dbraw/zinc/04/28/54/289042854.db2.gz ZQSRAXCIEOCSIA-FPLPWBNLSA-N 0 3 303.362 2.209 20 5 DEBDHN Cc1cc(N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000488711250 301339086 /nfs/dbraw/zinc/33/90/86/301339086.db2.gz HMLOYISLUXJHRF-MBNYWOFBSA-N 0 3 304.394 2.465 20 5 DEBDHN CC1(C)[C@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]2CCO[C@@H]21 ZINC000575001322 326208941 /nfs/dbraw/zinc/20/89/41/326208941.db2.gz COTMAPGJJOOVHA-VQISRLSMSA-N 0 3 316.361 2.374 20 5 DEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@@H]2CCCC[C@H]2F)c1 ZINC000575797098 326246105 /nfs/dbraw/zinc/24/61/05/326246105.db2.gz NNGYXPXVXWPTIB-NWANDNLSSA-N 0 3 312.341 2.205 20 5 DEBDHN O=C(NCCN[C@H]1CCCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000417333863 534358781 /nfs/dbraw/zinc/35/87/81/534358781.db2.gz ZIMLBAYURNNFTR-INIZCTEOSA-N 0 3 317.389 2.478 20 5 DEBDHN Cc1nc(NCCN(C)Cc2ccc(F)cc2)ncc1[N+](=O)[O-] ZINC000297616328 534487986 /nfs/dbraw/zinc/48/79/86/534487986.db2.gz WBJQOSJBWKTSQU-UHFFFAOYSA-N 0 3 319.340 2.376 20 5 DEBDHN C[C@H](N[C@H]1CCO[C@@H]1C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000365192541 525624364 /nfs/dbraw/zinc/62/43/64/525624364.db2.gz QQOZTVSWLUEGPU-NZVBXONLSA-N 0 3 319.361 2.079 20 5 DEBDHN COc1ccc(CC(=O)OCC(C)[N+](=O)[O-])c(Cl)c1OC ZINC000835453416 649923764 /nfs/dbraw/zinc/92/37/64/649923764.db2.gz BZEJBMCWKWVSFB-QMMMGPOBSA-N 0 3 317.725 2.108 20 5 DEBDHN COc1c([O-])ccc(C[NH2+]C[C@H]2CCC[C@H]2OC)c1[N+](=O)[O-] ZINC000893287274 625391663 /nfs/dbraw/zinc/39/16/63/625391663.db2.gz YVNGMDAXSHCUTQ-ZWNOBZJWSA-N 0 3 310.350 2.214 20 5 DEBDHN C[C@H](C(=O)N[C@@]1(C)CN2CCC1CC2)c1cccc([N+](=O)[O-])c1 ZINC000892775273 625581312 /nfs/dbraw/zinc/58/13/12/625581312.db2.gz ZBUKUKRBOQUWHK-SJCJKPOMSA-N 0 3 317.389 2.299 20 5 DEBDHN C[C@H]1C[C@@H](Nc2ccc3nonc3c2[N+](=O)[O-])CN1C1CC1 ZINC000892876885 625683037 /nfs/dbraw/zinc/68/30/37/625683037.db2.gz YPHOEFOYAFJLTG-DTWKUNHWSA-N 0 3 303.322 2.168 20 5 DEBDHN COc1c(O)ccc(CN(C)C[C@@H]2CCCOC2)c1[N+](=O)[O-] ZINC000891948757 624675858 /nfs/dbraw/zinc/67/58/58/624675858.db2.gz LPBZOZIUOIMVON-NSHDSACASA-N 0 3 310.350 2.167 20 5 DEBDHN C[C@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1cncs1 ZINC000934194172 624777813 /nfs/dbraw/zinc/77/78/13/624777813.db2.gz AKELYJSNAQHNMK-QWRGUYRKSA-N 0 3 323.374 2.142 20 5 DEBDHN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000892620726 625199809 /nfs/dbraw/zinc/19/98/09/625199809.db2.gz DPKVMZCWRWIKOG-LOWVWBTDSA-N 0 3 312.391 2.069 20 5 DEBDHN O=[N+]([O-])c1ccc(CNCC2(C3(O)CCOCC3)CC2)c(F)c1 ZINC000922596084 636273811 /nfs/dbraw/zinc/27/38/11/636273811.db2.gz ZIPYZTXDZLPZGM-UHFFFAOYSA-N 0 3 324.352 2.145 20 5 DEBDHN COc1c(O)ccc(CN[C@H](C)[C@H](OC)C2CC2)c1[N+](=O)[O-] ZINC000894755460 637196095 /nfs/dbraw/zinc/19/60/95/637196095.db2.gz RDUPJBRUTVKROA-OTYXRUKQSA-N 0 3 310.350 2.212 20 5 DEBDHN C[C@H]1[C@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CCN1C ZINC000928435415 637228792 /nfs/dbraw/zinc/22/87/92/637228792.db2.gz RWYYDNBMNCQMNV-WCQYABFASA-N 0 3 305.378 2.081 20 5 DEBDHN C[C@H](C(=O)N[C@@H]1CCN(C)[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000928443054 637244361 /nfs/dbraw/zinc/24/43/61/637244361.db2.gz XMZUJJPQQAGACH-PKFCDNJMSA-N 0 3 309.341 2.046 20 5 DEBDHN COc1cc(CNC2CCC(C)(O)CC2)c([N+](=O)[O-])cc1OC ZINC000749295773 637541024 /nfs/dbraw/zinc/54/10/24/637541024.db2.gz HNMUFFKELUGJJM-UHFFFAOYSA-N 0 3 324.377 2.395 20 5 DEBDHN CCN1[C@H](C)CN(c2ncnc3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000895099441 637556609 /nfs/dbraw/zinc/55/66/09/637556609.db2.gz HMFFLXYFEXFATJ-TXEJJXNPSA-N 0 3 315.377 2.457 20 5 DEBDHN COc1c(O)ccc(CNC[C@@H]2CCC[C@H](C)O2)c1[N+](=O)[O-] ZINC000895377030 637980938 /nfs/dbraw/zinc/98/09/38/637980938.db2.gz INASKMGWSGLBAT-JQWIXIFHSA-N 0 3 310.350 2.356 20 5 DEBDHN COc1c(O)ccc(CN[C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)c1[N+](=O)[O-] ZINC000895624319 638118965 /nfs/dbraw/zinc/11/89/65/638118965.db2.gz GBTBFGFKIHOWNC-WJZNIJOASA-N 0 3 310.350 2.211 20 5 DEBDHN C[C@@H](N[C@@H](C)[C@@H]1CCS(=O)(=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000896511140 638547245 /nfs/dbraw/zinc/54/72/45/638547245.db2.gz VNOREUPJNNEEPE-NTZNESFSSA-N 0 3 312.391 2.069 20 5 DEBDHN C[C@@H](NCc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CN(C)CCO1 ZINC000761528456 640321756 /nfs/dbraw/zinc/32/17/56/640321756.db2.gz VIJVHYHUMXLMHC-QMTHXVAHSA-N 0 3 313.785 2.057 20 5 DEBDHN Cc1nn(C)cc1[C@@H](C)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765850633 640824323 /nfs/dbraw/zinc/82/43/23/640824323.db2.gz YNDSRNIMMPHYPI-MEBBXXQBSA-N 0 3 304.350 2.021 20 5 DEBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC(n3cccn3)CC2)cc1 ZINC000776278501 642153221 /nfs/dbraw/zinc/15/32/21/642153221.db2.gz UASHRHQQMHXMDN-MRXNPFEDSA-N 0 3 316.361 2.162 20 5 DEBDHN CCC1(CO)CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776597196 642191749 /nfs/dbraw/zinc/19/17/49/642191749.db2.gz HXHUZSWFWUJWEK-HNNXBMFYSA-N 0 3 308.378 2.113 20 5 DEBDHN COc1cnccc1[C@H](C)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000782650282 642911563 /nfs/dbraw/zinc/91/15/63/642911563.db2.gz XTGWBCKETVCMNV-XHDPSFHLSA-N 0 3 317.345 2.383 20 5 DEBDHN C[C@H]1CCCN1CCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000783914661 643067538 /nfs/dbraw/zinc/06/75/38/643067538.db2.gz BLSBVRDDQBORNL-JTQLQIEISA-N 0 3 311.769 2.462 20 5 DEBDHN COc1cc([C@@H](C)NC[C@H](O)COCC2CC2)cc([N+](=O)[O-])c1 ZINC000903086361 643244169 /nfs/dbraw/zinc/24/41/69/643244169.db2.gz NMPSZOQMPUSPPF-ABAIWWIYSA-N 0 3 324.377 2.042 20 5 DEBDHN COc1cc([C@H](C)N[C@@H](C)[C@H](CO)SC)cc([N+](=O)[O-])c1 ZINC000903100671 643248449 /nfs/dbraw/zinc/24/84/49/643248449.db2.gz UNXWURIKEFOZSW-BHDSKKPTSA-N 0 3 314.407 2.366 20 5 DEBDHN COc1cc([C@H](C)N[C@@H](C)CO[C@@H]2CCOC2)cc([N+](=O)[O-])c1 ZINC000903111552 643253064 /nfs/dbraw/zinc/25/30/64/643253064.db2.gz WEQGMDXFCJMUIU-SLEUVZQESA-N 0 3 324.377 2.448 20 5 DEBDHN COc1nn(C)cc1CN[C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000903346827 643321275 /nfs/dbraw/zinc/32/12/75/643321275.db2.gz XGXGTHOQZKHFKG-SNVBAGLBSA-N 0 3 322.340 2.197 20 5 DEBDHN CC(C)[C@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CCN1 ZINC000843468536 650980711 /nfs/dbraw/zinc/98/07/11/650980711.db2.gz WABNKJVOLIJTDU-GTBONMDNSA-N 0 3 303.362 2.064 20 5 DEBDHN CC(C)CC(=O)N[C@H](C(=O)OCC(C)[N+](=O)[O-])c1ccccc1 ZINC000813101974 646728551 /nfs/dbraw/zinc/72/85/51/646728551.db2.gz MHCFTXUFXUPSCG-DOMZBBRYSA-N 0 3 322.361 2.098 20 5 DEBDHN CC(COC(=O)c1ccnc(OCc2ccccc2)c1)[N+](=O)[O-] ZINC000813103722 646728643 /nfs/dbraw/zinc/72/86/43/646728643.db2.gz GKCGULUJQYLUCN-GFCCVEGCSA-N 0 3 316.313 2.483 20 5 DEBDHN CC(COC(=O)CCc1cnn(-c2ccccc2)c1)[N+](=O)[O-] ZINC000813106149 646729292 /nfs/dbraw/zinc/72/92/92/646729292.db2.gz ZLBIJZJZRZOMOC-LBPRGKRZSA-N 0 3 303.318 2.013 20 5 DEBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])c(C)n1Cc1ccccn1 ZINC000813106991 646729806 /nfs/dbraw/zinc/72/98/06/646729806.db2.gz JSSIGASRDKGLLK-LBPRGKRZSA-N 0 3 317.345 2.370 20 5 DEBDHN Cc1ccc(-c2nc(CC(=O)OCC(C)[N+](=O)[O-])cs2)o1 ZINC000813109727 646730153 /nfs/dbraw/zinc/73/01/53/646730153.db2.gz VQFPSKAYQNLDBC-MRVPVSSYSA-N 0 3 310.331 2.462 20 5 DEBDHN Cc1ccccc1C1(C(=O)OCC(C)[N+](=O)[O-])CCOCC1 ZINC000813109223 646730581 /nfs/dbraw/zinc/73/05/81/646730581.db2.gz GZOJUYSRKFCNNI-CYBMUJFWSA-N 0 3 307.346 2.252 20 5 DEBDHN CC(COC(=O)[C@H]1CCCCN1Cc1ccc(F)cc1)[N+](=O)[O-] ZINC000813111339 646731155 /nfs/dbraw/zinc/73/11/55/646731155.db2.gz RLBVCWUQWCPPGT-IUODEOHRSA-N 0 3 324.352 2.389 20 5 DEBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])c(C)n1-c1nccs1 ZINC000813111096 646731575 /nfs/dbraw/zinc/73/15/75/646731575.db2.gz CIEVTPIQTGTJRP-VIFPVBQESA-N 0 3 309.347 2.373 20 5 DEBDHN CC(COC(=O)c1nccnc1Sc1ccccc1)[N+](=O)[O-] ZINC000813115484 646733941 /nfs/dbraw/zinc/73/39/41/646733941.db2.gz SYLNMJYDFUEJLZ-SNVBAGLBSA-N 0 3 319.342 2.450 20 5 DEBDHN CSc1ncc(C(=O)OCC(C)[N+](=O)[O-])n1-c1ccccc1 ZINC000813115473 646734105 /nfs/dbraw/zinc/73/41/05/646734105.db2.gz SWLNTOLHQPEISG-JTQLQIEISA-N 0 3 321.358 2.416 20 5 DEBDHN Cc1cc(F)cc(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)c1[N+](=O)[O-] ZINC000152948609 647303487 /nfs/dbraw/zinc/30/34/87/647303487.db2.gz SAFNBCFCCKAZIQ-PWSUYJOCSA-N 0 3 321.352 2.397 20 5 DEBDHN O=[N+]([O-])c1ccc(CN2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)cc1F ZINC000830823136 649501128 /nfs/dbraw/zinc/50/11/28/649501128.db2.gz MKLXJUHNLUEPQS-WOSRLPQWSA-N 0 3 324.352 2.096 20 5 DEBDHN CC(COC(=O)[C@]1(C(=O)OC(C)(C)C)CC=CCC1)[N+](=O)[O-] ZINC000845575366 651255961 /nfs/dbraw/zinc/25/59/61/651255961.db2.gz GZLAUISZTWSQFJ-NHYWBVRUSA-N 0 3 313.350 2.263 20 5 DEBDHN Cc1cnn(C)c1C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845875610 651291259 /nfs/dbraw/zinc/29/12/59/651291259.db2.gz AFZMKJPWYREIIC-IINYFYTJSA-N 0 3 321.308 2.431 20 5 DEBDHN CC([C@H](OC(=O)c1ccn(C)n1)c1ccccc1F)[N+](=O)[O-] ZINC000845876990 651291530 /nfs/dbraw/zinc/29/15/30/651291530.db2.gz CTZGISSEUDQCKS-ZANVPECISA-N 0 3 307.281 2.123 20 5 DEBDHN Cc1ccc(N(C)CCN2CC3(C2)CCOCC3)c([N+](=O)[O-])c1 ZINC000866257340 687511423 /nfs/dbraw/zinc/51/14/23/687511423.db2.gz YIFAGTGURUWDBU-UHFFFAOYSA-N 0 3 319.405 2.452 20 5 DEBDHN CC(C)(NC[C@@H]1C[C@H]2COC[C@@H]2O1)c1ccccc1[N+](=O)[O-] ZINC000930555203 694188885 /nfs/dbraw/zinc/18/88/85/694188885.db2.gz TXINIVREEHGRCY-HUBLWGQQSA-N 0 3 306.362 2.223 20 5 DEBDHN COC[C@](C)(O)CN[C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872036448 688917782 /nfs/dbraw/zinc/91/77/82/688917782.db2.gz SAGJQPMVTHSBQR-IINYFYTJSA-N 0 3 314.407 2.365 20 5 DEBDHN CO[C@@](C)(CO)CN[C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872084716 688924234 /nfs/dbraw/zinc/92/42/34/688924234.db2.gz UIPHAZBPDDAIFU-QMTHXVAHSA-N 0 3 314.407 2.365 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000874835809 689510408 /nfs/dbraw/zinc/51/04/08/689510408.db2.gz AOQLYOSHTGAQQR-LSDHHAIUSA-N 0 3 303.362 2.212 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000874843205 689515206 /nfs/dbraw/zinc/51/52/06/689515206.db2.gz LXXGODKDPVAJIE-GJZGRUSLSA-N 0 3 303.362 2.212 20 5 DEBDHN Cc1cc(C(=O)N2CC[C@@H]3[C@@H]2CCCN3C)cc([N+](=O)[O-])c1 ZINC000874845051 689516298 /nfs/dbraw/zinc/51/62/98/689516298.db2.gz UKDKEZAHERSBOV-CABCVRRESA-N 0 3 303.362 2.212 20 5 DEBDHN CCN1CCCN(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000876171697 689773779 /nfs/dbraw/zinc/77/37/79/689773779.db2.gz NOKMQRCZPCNTHP-UHFFFAOYSA-N 0 3 320.393 2.140 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC(CC(N)=O)CC1 ZINC000876595027 689869688 /nfs/dbraw/zinc/86/96/88/689869688.db2.gz YFWPKNAKSRXKFI-UHFFFAOYSA-N 0 3 305.378 2.299 20 5 DEBDHN CCc1nc(C)c(CNC2CC(n3cc([N+](=O)[O-])cn3)C2)o1 ZINC000877547914 690148334 /nfs/dbraw/zinc/14/83/34/690148334.db2.gz OOBQOQNXNVHDRE-UHFFFAOYSA-N 0 3 305.338 2.143 20 5 DEBDHN CCN1[C@H](C)CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000878837367 690510340 /nfs/dbraw/zinc/51/03/40/690510340.db2.gz XSTSDMSVMQGORY-DVOMOZLQSA-N 0 3 307.394 2.043 20 5 DEBDHN C[C@](CO)(NCCc1ccns1)c1cccc([N+](=O)[O-])c1 ZINC000931469346 694405937 /nfs/dbraw/zinc/40/59/37/694405937.db2.gz RMKQCJOZLQSVOK-CQSZACIVSA-N 0 3 307.375 2.091 20 5 DEBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCC[C@@H]1CCCS1(=O)=O ZINC000883309950 691479948 /nfs/dbraw/zinc/47/99/48/691479948.db2.gz XNWLKJNTKNAERC-FZMZJTMJSA-N 0 3 324.402 2.139 20 5 DEBDHN O=C1C[C@@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])CN1CC1CC1 ZINC000883396880 691497090 /nfs/dbraw/zinc/49/70/90/691497090.db2.gz YVOSUSKUVORHNU-IUODEOHRSA-N 0 3 315.373 2.183 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN[C@@H]1CC(=O)N(CC2CC2)C1 ZINC000883401898 691498881 /nfs/dbraw/zinc/49/88/81/691498881.db2.gz BPIXWPKXZWROCD-CQSZACIVSA-N 0 3 317.389 2.312 20 5 DEBDHN CCCN(CCN(C)C)C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000932034961 694533581 /nfs/dbraw/zinc/53/35/81/694533581.db2.gz SVIBTISWDFKUPX-HOTGVXAUSA-N 0 3 319.405 2.499 20 5 DEBDHN CCCC(=O)N1C[C@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC001048647032 692667233 /nfs/dbraw/zinc/66/72/33/692667233.db2.gz SAMBZSQRDOUSHC-GASCZTMLSA-N 0 3 317.389 2.285 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NCCN1CCC(C)(C)C1 ZINC000890072773 692853127 /nfs/dbraw/zinc/85/31/27/692853127.db2.gz WHSUSZLDCFSKLW-UHFFFAOYSA-N 0 3 321.377 2.065 20 5 DEBDHN C[C@@H](C[C@H]1CCC(=O)N1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000925515081 693287066 /nfs/dbraw/zinc/28/70/66/693287066.db2.gz SITXPQZMKUPITP-GXSJLCMTSA-N 0 3 311.769 2.395 20 5 DEBDHN C[C@@H]1CN(c2cnc3cc([N+](=O)[O-])ccc3n2)[C@H](C)CN1C ZINC001164640697 719169854 /nfs/dbraw/zinc/16/98/54/719169854.db2.gz VMFRKBXMZWBMHA-GHMZBOCLSA-N 0 3 301.350 2.067 20 5 DEBDHN CCOc1nc(N2CCN(C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC001165032611 721858177 /nfs/dbraw/zinc/85/81/77/721858177.db2.gz UCRFLWZNNVVKMO-UHFFFAOYSA-N 0 3 320.393 2.453 20 5 DEBDHN C[C@@]1(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CN2CCC1CC2 ZINC001333623895 1150071161 /nfs/dbraw/zinc/07/11/61/1150071161.db2.gz MXRBLDQTEMCQCH-OAHLLOKOSA-N 0 3 323.780 2.462 20 5 DEBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCN(c3cc(Cl)ccn3)CC2)C1 ZINC001169038432 785013204 /nfs/dbraw/zinc/01/32/04/785013204.db2.gz YSQJRRRINWEEAW-TZMCWYRMSA-N 0 3 324.812 2.302 20 5 DEBDHN COc1ccc(C[C@H](C)NCc2cn(C)cn2)c([N+](=O)[O-])c1 ZINC001170300185 786894534 /nfs/dbraw/zinc/89/45/34/786894534.db2.gz YHSAYFIGUMRDBF-NSHDSACASA-N 0 3 304.350 2.058 20 5 DEBDHN COc1ccc(C[C@@H](C)N2CC(C3COC3)C2)c([N+](=O)[O-])c1 ZINC001170330346 786911321 /nfs/dbraw/zinc/91/13/21/786911321.db2.gz ZOGBECIVMUFAQB-LLVKDONJSA-N 0 3 306.362 2.113 20 5 DEBDHN COc1ccc(C[C@H](C)N[C@@H]2CCOC[C@H]2F)c([N+](=O)[O-])c1 ZINC001170306511 786914631 /nfs/dbraw/zinc/91/46/31/786914631.db2.gz WOBSSDJLECDIDM-ZLKJLUDKSA-N 0 3 312.341 2.251 20 5 DEBDHN C[C@@H](Nc1ccc(C(F)(F)F)c([N+](=O)[O-])c1)[C@H]1CNCCO1 ZINC001170568070 787647088 /nfs/dbraw/zinc/64/70/88/787647088.db2.gz MVNBRQZKFJCYEU-PRHODGIISA-N 0 3 319.283 2.402 20 5 DEBDHN CCC1(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)CCC1 ZINC001132577299 788136496 /nfs/dbraw/zinc/13/64/96/788136496.db2.gz SIVNZASWGNGWKA-UHFFFAOYSA-N 0 3 305.378 2.381 20 5 DEBDHN Cc1ccc(CNC(=O)C2(N(C)C)CCCC2)cc1[N+](=O)[O-] ZINC001171898178 793243736 /nfs/dbraw/zinc/24/37/36/793243736.db2.gz NFZUPMKFEDQPQM-UHFFFAOYSA-N 0 3 305.378 2.394 20 5 DEBDHN COC(=O)CC1CN([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172917730 793531362 /nfs/dbraw/zinc/53/13/62/793531362.db2.gz WQKAWGOMAWUYRK-HNNXBMFYSA-N 0 3 318.373 2.337 20 5 DEBDHN CCC[N@H+](Cc1ccc([O-])c(OC)c1[N+](=O)[O-])CC(C)(C)O ZINC001119935871 795375472 /nfs/dbraw/zinc/37/54/72/795375472.db2.gz BNQOGJQTKWJADK-UHFFFAOYSA-N 0 3 312.366 2.292 20 5 DEBDHN CCC[N@@H+](Cc1ccc([O-])c(OC)c1[N+](=O)[O-])CC(C)(C)O ZINC001119935871 795375478 /nfs/dbraw/zinc/37/54/78/795375478.db2.gz BNQOGJQTKWJADK-UHFFFAOYSA-N 0 3 312.366 2.292 20 5 DEBDHN COc1cc(-n2c3ccccc3nc2[C@@H](C)N)ncc1[N+](=O)[O-] ZINC001155253481 797718348 /nfs/dbraw/zinc/71/83/48/797718348.db2.gz APZPGVWFAOMPPN-SECBINFHSA-N 0 3 313.317 2.357 20 5 DEBDHN Cc1cc(CN)nn1C(F)(F)c1cc([N+](=O)[O-])cnc1Cl ZINC001156039227 797910245 /nfs/dbraw/zinc/91/02/45/797910245.db2.gz PWAJTDYOIJDUKN-UHFFFAOYSA-N 0 3 317.683 2.204 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC001196083366 798003653 /nfs/dbraw/zinc/00/36/53/798003653.db2.gz LPDLNVLFHDUEON-TYNCELHUSA-N 0 3 306.362 2.196 20 5 DEBDHN Cc1nc(Cl)nc(-n2nc(CN)c3ccccc32)c1[N+](=O)[O-] ZINC001156855818 798095690 /nfs/dbraw/zinc/09/56/90/798095690.db2.gz HSPXBSGCRATFOH-UHFFFAOYSA-N 0 3 318.724 2.144 20 5 DEBDHN CC(C)Oc1nc(N2C[C@H]3CCCN(C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001157270772 798174418 /nfs/dbraw/zinc/17/44/18/798174418.db2.gz GGMRBGNEUUFWAE-TZMCWYRMSA-N 0 3 320.393 2.307 20 5 DEBDHN C[C@@H](N)c1ccn(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)n1 ZINC001158344387 798388815 /nfs/dbraw/zinc/38/88/15/798388815.db2.gz BARPPZVVGMFBRJ-ZCFIWIBFSA-N 0 3 317.683 2.457 20 5 DEBDHN CCOc1nc(N2CCN(C(C)C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC001158494956 798416892 /nfs/dbraw/zinc/41/68/92/798416892.db2.gz FIBZHNNAHJRPLW-LBPRGKRZSA-N 0 3 308.382 2.307 20 5 DEBDHN C[C@@H](Nc1nc(Cl)cc(Cl)c1[N+](=O)[O-])[C@H]1CNCCO1 ZINC001159495027 798571925 /nfs/dbraw/zinc/57/19/25/798571925.db2.gz BMIREXOXEYVRCQ-HTRCEHHLSA-N 0 3 321.164 2.085 20 5 DEBDHN COc1ccc(-n2c3ccccc3nc2[C@H](C)N)nc1[N+](=O)[O-] ZINC001162758980 799167234 /nfs/dbraw/zinc/16/72/34/799167234.db2.gz MYANTOYJNRWEJO-VIFPVBQESA-N 0 3 313.317 2.357 20 5 DEBDHN O=C(NCCC1(CNCc2ccccc2[N+](=O)[O-])CC1)C1CC1 ZINC001163092849 799243360 /nfs/dbraw/zinc/24/33/60/799243360.db2.gz VNINXTPARGLETP-UHFFFAOYSA-N 0 3 317.389 2.381 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(N2CCN[C@@H](c3ccc(O)cc3)C2)n1 ZINC001164036279 799492124 /nfs/dbraw/zinc/49/21/24/799492124.db2.gz DMXPAUGTIGQQIS-CQSZACIVSA-N 0 3 314.345 2.155 20 5 DEBDHN O=C(NCCCNCc1csc([N+](=O)[O-])c1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001164380878 799589549 /nfs/dbraw/zinc/58/95/49/799589549.db2.gz ZKJRRDIBLCMBKN-ITGUQSILSA-N 0 3 323.418 2.298 20 5 DEBDHN O=[N+]([O-])c1ccc(OCCCN2CCC[C@H]2C2OCCO2)cc1 ZINC000933894774 800207728 /nfs/dbraw/zinc/20/77/28/800207728.db2.gz LEEKTGXJSYEZGU-HNNXBMFYSA-N 0 3 322.361 2.201 20 5 DEBDHN NC(=O)CC1(NCc2ccc(F)cc2[N+](=O)[O-])CCCCC1 ZINC000934824778 800467244 /nfs/dbraw/zinc/46/72/44/800467244.db2.gz KOUGTSNVRBKZAG-UHFFFAOYSA-N 0 3 309.341 2.402 20 5 DEBDHN C[C@@H](OCCCN1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC001206588757 800896478 /nfs/dbraw/zinc/89/64/78/800896478.db2.gz ADGMHDDKOMKPMT-CQSZACIVSA-N 0 3 307.394 2.310 20 5 DEBDHN CC(C)N1CC[C@@H](Oc2n[nH]c(=O)c3ccc([N+](=O)[O-])cc32)C1 ZINC001229363323 801264100 /nfs/dbraw/zinc/26/41/00/801264100.db2.gz CPTALDZSDMJCGG-LLVKDONJSA-N 0 3 318.333 2.105 20 5 DEBDHN CCOC(=O)c1ccc(O[C@@H]2CCN(CC)C2)cc1[N+](=O)[O-] ZINC001230913354 801528324 /nfs/dbraw/zinc/52/83/24/801528324.db2.gz VPHMKOAWIZKLLZ-GFCCVEGCSA-N 0 3 308.334 2.245 20 5 DEBDHN COCCN1CCC(Oc2c(F)cc(F)cc2[N+](=O)[O-])CC1 ZINC001233698311 802185349 /nfs/dbraw/zinc/18/53/49/802185349.db2.gz IYGHJXAVIIADJU-UHFFFAOYSA-N 0 3 316.304 2.363 20 5 DEBDHN CC[C@@H](NC(=O)N[C@H]1CCN(C)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC001224287234 802855432 /nfs/dbraw/zinc/85/54/32/802855432.db2.gz NJEHGRSXTBQSQR-DFBGVHRSSA-N 0 3 320.393 2.438 20 5 DEBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1Oc1ncc([N+](=O)[O-])cn1 ZINC001226734084 803150661 /nfs/dbraw/zinc/15/06/61/803150661.db2.gz GOMOTHHICZINBF-WFASDCNBSA-N 0 3 314.345 2.284 20 5 DEBDHN O=C(NCCN1CCCCC1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001334075679 1150186477 /nfs/dbraw/zinc/18/64/77/1150186477.db2.gz BMFUQNOYCWHOGV-UHFFFAOYSA-N 0 3 310.329 2.341 20 5 DEBDHN CCN1CCCN(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CC1 ZINC001334075871 1150186612 /nfs/dbraw/zinc/18/66/12/1150186612.db2.gz HIRBTBRAOXFGMR-UHFFFAOYSA-N 0 3 310.329 2.293 20 5 DEBDHN CC(C)N1CCC[C@@H]1C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001336053991 1150606970 /nfs/dbraw/zinc/60/69/70/1150606970.db2.gz AFFZAWXNMRFBGE-OAHLLOKOSA-N 0 3 303.362 2.310 20 5 DEBDHN CCN(C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCN(C)C1 ZINC001346289545 1150964514 /nfs/dbraw/zinc/96/45/14/1150964514.db2.gz YMCHUXGGIDQOAL-LLVKDONJSA-N 0 3 322.365 2.161 20 5 DEBDHN O=[N+]([O-])c1ccc2oc(CNCC3CCC(O)CC3)nc2c1 ZINC001462454149 1058832195 /nfs/dbraw/zinc/83/21/95/1058832195.db2.gz SMVZBFBUMVUGDC-UHFFFAOYSA-N 0 3 305.334 2.377 20 5 DEBDHN O=C(CCCF)NCC1(NCc2cccc([N+](=O)[O-])c2)CCC1 ZINC001570114192 1065930305 /nfs/dbraw/zinc/93/03/05/1065930305.db2.gz WFSOZQJLDZVKFQ-UHFFFAOYSA-N 0 3 323.368 2.473 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CN(C)CC1(C)C ZINC001635649019 1078455510 /nfs/dbraw/zinc/45/55/10/1078455510.db2.gz MPWJBURSOMOJLF-CYBMUJFWSA-N 0 3 305.378 2.282 20 5 DEBDHN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCN[C@@H](C(C)C)C1 ZINC001641823513 1078730096 /nfs/dbraw/zinc/73/00/96/1078730096.db2.gz GEJXRFCDVWCBAU-CYBMUJFWSA-N 0 3 309.341 2.112 20 5 DEBDHN CC(C)C[C@@H](N)C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1 ZINC001573503544 1069022535 /nfs/dbraw/zinc/02/25/35/1069022535.db2.gz HTUNPVCWPADPCB-GFCCVEGCSA-N 0 3 317.349 2.297 20 5 DEBDHN CC[C@@H]1CN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])[C@H](CC)CN1 ZINC001573719788 1069079084 /nfs/dbraw/zinc/07/90/84/1069079084.db2.gz PQZOYWYYQOMSTC-VXGBXAGGSA-N 0 3 321.377 2.206 20 5 DEBDHN CN1C[C@@H](NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])C(C)(C)C1 ZINC001646378756 1074434196 /nfs/dbraw/zinc/43/41/96/1074434196.db2.gz JRAICQWVVXZRFZ-CQSZACIVSA-N 0 3 323.368 2.123 20 5 DEBDHN CCN1C[C@@H](NC(=O)c2c(C)cccc2[N+](=O)[O-])C(C)(C)C1 ZINC001646585577 1074488959 /nfs/dbraw/zinc/48/89/59/1074488959.db2.gz ADBZGADNTBIGSW-CYBMUJFWSA-N 0 3 305.378 2.363 20 5 DEBDHN C[C@@H]([NH2+]Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C(C)(C)C ZINC001591729835 1076779290 /nfs/dbraw/zinc/77/92/90/1076779290.db2.gz MJDQRJPTHLQGRX-SECBINFHSA-N 0 3 304.354 2.299 20 5 DEBDHN C[C@@H]([NH2+]Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C(C)(C)C ZINC001591729835 1076779292 /nfs/dbraw/zinc/77/92/92/1076779292.db2.gz MJDQRJPTHLQGRX-SECBINFHSA-N 0 3 304.354 2.299 20 5 DEBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC001593466462 1077006289 /nfs/dbraw/zinc/00/62/89/1077006289.db2.gz CPHMTYZELCYMCO-LBPRGKRZSA-N 0 3 314.349 2.007 20 5 DEBDHN O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1C[N@H+]1CC[C@H](C2CC2)C1 ZINC001593466462 1077006295 /nfs/dbraw/zinc/00/62/95/1077006295.db2.gz CPHMTYZELCYMCO-LBPRGKRZSA-N 0 3 314.349 2.007 20 5 DEBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC001593466462 1077006300 /nfs/dbraw/zinc/00/63/00/1077006300.db2.gz CPHMTYZELCYMCO-LBPRGKRZSA-N 0 3 314.349 2.007 20 5 DEBDHN O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1C[N@H+]1CC[C@H](C2CC2)C1 ZINC001593466462 1077006305 /nfs/dbraw/zinc/00/63/05/1077006305.db2.gz CPHMTYZELCYMCO-LBPRGKRZSA-N 0 3 314.349 2.007 20 5 DEBDHN CCN1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2C)C(C)(C)C1 ZINC001652602331 1079886179 /nfs/dbraw/zinc/88/61/79/1079886179.db2.gz CLRBGOVTHUOVNN-AWEZNQCLSA-N 0 3 305.378 2.363 20 5 DEBDHN Cn1cc2c(n1)CCC[C@H]2NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001338408848 1142854285 /nfs/dbraw/zinc/85/42/85/1142854285.db2.gz WQJAXNBGGFQGRL-ZBFHGGJFSA-N 0 3 316.361 2.029 20 5 DEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H](CO)c1ccccn1 ZINC001254543436 1143243230 /nfs/dbraw/zinc/24/32/30/1143243230.db2.gz RNVCWOURQHLOOR-IUODEOHRSA-N 0 3 301.346 2.244 20 5 DEBDHN CCCCN1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254600711 1143274994 /nfs/dbraw/zinc/27/49/94/1143274994.db2.gz QVBBDYXGONFXSV-QGZVFWFLSA-N 0 3 303.406 2.480 20 5 DEBDHN Cc1c(CC(=O)N2[C@H](C)CN[C@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC001341030803 1143526698 /nfs/dbraw/zinc/52/66/98/1143526698.db2.gz UKWWDTUNJOSNRI-RAIGVLPGSA-N 0 3 305.378 2.043 20 5 DEBDHN CCc1nncn1CCN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000151521910 282118924 /nfs/dbraw/zinc/11/89/24/282118924.db2.gz OTLBBAYAGQUGGW-GFCCVEGCSA-N 0 3 303.366 2.408 20 5 DEBDHN Cn1nccc1N1CCC[C@H](NCc2cccc([N+](=O)[O-])c2)C1 ZINC000278528212 214214355 /nfs/dbraw/zinc/21/43/55/214214355.db2.gz UKMZSAHTYFZGAD-AWEZNQCLSA-N 0 3 315.377 2.087 20 5 DEBDHN O=[N+]([O-])c1cnn(C[C@H]2CN(Cc3ccccc3)CCCO2)c1 ZINC000278581030 214253814 /nfs/dbraw/zinc/25/38/14/214253814.db2.gz OTVVIZDOCVHEOI-MRXNPFEDSA-N 0 3 316.361 2.082 20 5 DEBDHN C[C@@H]1CN(C2CCOCC2)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000278770838 214388550 /nfs/dbraw/zinc/38/85/50/214388550.db2.gz WMWZLXQGRXBAAK-CQSZACIVSA-N 0 3 319.405 2.280 20 5 DEBDHN Cc1c([C@@H](C)N[C@@H]2CC(=O)N(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000090181161 185285456 /nfs/dbraw/zinc/28/54/56/185285456.db2.gz LVZPBCWRPKXVCQ-VXGBXAGGSA-N 0 3 303.362 2.317 20 5 DEBDHN CCCO[C@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090530017 185300821 /nfs/dbraw/zinc/30/08/21/185300821.db2.gz SZFMCXIBMIMHED-HNNXBMFYSA-N 0 3 323.393 2.038 20 5 DEBDHN CC[C@H](C)N1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000295903398 529700802 /nfs/dbraw/zinc/70/08/02/529700802.db2.gz DGLVJVISBKJKPW-BBRMVZONSA-N 0 3 307.394 2.044 20 5 DEBDHN C[C@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1)C1=CCN(C)CC1 ZINC000272736537 210141866 /nfs/dbraw/zinc/14/18/66/210141866.db2.gz LNXFHHFRFHXIKN-LBPRGKRZSA-N 0 3 318.377 2.044 20 5 DEBDHN C[C@H]1C[C@H](NC(=O)CSc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000330906721 232151936 /nfs/dbraw/zinc/15/19/36/232151936.db2.gz NFXUMJFEMXNCBJ-NWDGAFQWSA-N 0 3 323.418 2.286 20 5 DEBDHN Cc1c(C(=O)N[C@@H](C)C2=CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000272632377 210035987 /nfs/dbraw/zinc/03/59/87/210035987.db2.gz BORCSYALANBPSM-LBPRGKRZSA-N 0 3 303.362 2.283 20 5 DEBDHN O=[N+]([O-])c1cnn(CCN[C@H](CCO)c2ccc(Cl)cc2)c1 ZINC000286923708 219226408 /nfs/dbraw/zinc/22/64/08/219226408.db2.gz KRSXNRWUXAIDHE-CQSZACIVSA-N 0 3 324.768 2.158 20 5 DEBDHN C[C@]1(CO)CCC[C@@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331817637 234157304 /nfs/dbraw/zinc/15/73/04/234157304.db2.gz YSZWVXFQQXKCKK-DZGCQCFKSA-N 0 3 304.350 2.112 20 5 DEBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)N(C)C ZINC000033093468 354156658 /nfs/dbraw/zinc/15/66/58/354156658.db2.gz DRYXYXCBNHOPOH-QWRGUYRKSA-N 0 3 311.407 2.142 20 5 DEBDHN Cc1c(C(=O)NCCN2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000046878015 354294413 /nfs/dbraw/zinc/29/44/13/354294413.db2.gz FQELXRRKQYTPAY-LBPRGKRZSA-N 0 3 305.378 2.365 20 5 DEBDHN CCCNC(=O)[C@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000050995302 354378048 /nfs/dbraw/zinc/37/80/48/354378048.db2.gz CWKXZQHPUTVGCO-HNNXBMFYSA-N 0 3 319.405 2.376 20 5 DEBDHN O=[N+]([O-])c1ccccc1CN[C@@H](C1CC1)C1(CO)CCOCC1 ZINC000595588826 358494082 /nfs/dbraw/zinc/49/40/82/358494082.db2.gz RQPGXYYNUDJAHZ-INIZCTEOSA-N 0 3 320.389 2.252 20 5 DEBDHN Cc1ccc(N2CCN([C@H]3CCCN(C)C3)CC2)c([N+](=O)[O-])c1 ZINC000080640968 355377198 /nfs/dbraw/zinc/37/71/98/355377198.db2.gz BHLTUEKSFWYJSW-HNNXBMFYSA-N 0 3 318.421 2.119 20 5 DEBDHN O=[N+]([O-])c1ccc(CCN2CCC(c3nnc[nH]3)CC2)cc1 ZINC000083424404 355467183 /nfs/dbraw/zinc/46/71/83/355467183.db2.gz YBEWGGNGDKCWCE-UHFFFAOYSA-N 0 3 301.350 2.135 20 5 DEBDHN CCOc1ccc([C@@H](C)N[C@@H]2CCN(C(C)=O)C2)cc1[N+](=O)[O-] ZINC000090447468 355561376 /nfs/dbraw/zinc/56/13/76/355561376.db2.gz AIMMUNJNQUTBJU-BXUZGUMPSA-N 0 3 321.377 2.265 20 5 DEBDHN CCc1nn(C)c(OC)c1CNCCc1ccc([N+](=O)[O-])cc1 ZINC000119878577 355788720 /nfs/dbraw/zinc/78/87/20/355788720.db2.gz WKEDAELQUDNPJS-UHFFFAOYSA-N 0 3 318.377 2.232 20 5 DEBDHN COC1CCN(CCN[C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000163723949 355973025 /nfs/dbraw/zinc/97/30/25/355973025.db2.gz MQFPOYFUFJSVKE-CYBMUJFWSA-N 0 3 307.394 2.356 20 5 DEBDHN C[C@H](NC[C@H](O)COCc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000180452034 356051294 /nfs/dbraw/zinc/05/12/94/356051294.db2.gz ADOXWUJDXCLJMY-WFASDCNBSA-N 0 3 320.345 2.416 20 5 DEBDHN CN1CCC(N2CC[C@H](Nc3c(F)cccc3[N+](=O)[O-])C2)CC1 ZINC000587977435 357384306 /nfs/dbraw/zinc/38/43/06/357384306.db2.gz ZCDRCAOXGXQDTF-LBPRGKRZSA-N 0 3 322.384 2.314 20 5 DEBDHN CCN1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000588068911 357392000 /nfs/dbraw/zinc/39/20/00/357392000.db2.gz OESDRYIOQWDSBF-NSHDSACASA-N 0 3 301.350 2.068 20 5 DEBDHN CC[C@@](C)(CNCc1cc2c(cc1[N+](=O)[O-])OCCO2)OC ZINC000590659211 357573420 /nfs/dbraw/zinc/57/34/20/357573420.db2.gz YXCNGXLFNACRBL-HNNXBMFYSA-N 0 3 310.350 2.271 20 5 DEBDHN O=C1NCCC[C@@H]1CN[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000591348202 357709995 /nfs/dbraw/zinc/70/99/95/357709995.db2.gz JAFDIBVGIBSUNI-CZUORRHYSA-N 0 3 317.389 2.478 20 5 DEBDHN CC1(C)C[C@@H](NC[C@@H]2CCCNC2=O)c2cc([N+](=O)[O-])ccc21 ZINC000591244722 357694500 /nfs/dbraw/zinc/69/45/00/357694500.db2.gz DKGGJFZWPJPUIP-XHDPSFHLSA-N 0 3 317.389 2.433 20 5 DEBDHN C[C@@H](NC(=O)[C@H]1CNCCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000591667879 357750070 /nfs/dbraw/zinc/75/00/70/357750070.db2.gz DRWDFUZKGQBZRI-BXKDBHETSA-N 0 3 313.304 2.017 20 5 DEBDHN Cc1ccc(CCNC[C@H](O)COc2ccccc2[N+](=O)[O-])o1 ZINC000591726065 357754474 /nfs/dbraw/zinc/75/44/74/357754474.db2.gz GITRFHSGEIYETC-ZDUSSCGKSA-N 0 3 320.345 2.068 20 5 DEBDHN CCCN(C(=O)NCc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000591934373 357800752 /nfs/dbraw/zinc/80/07/52/357800752.db2.gz XCVUTYNKBODWEX-OAHLLOKOSA-N 0 3 320.393 2.221 20 5 DEBDHN CC(C)[C@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCN1 ZINC000592246863 357856875 /nfs/dbraw/zinc/85/68/75/357856875.db2.gz OJUNNYITCBUPND-GFCCVEGCSA-N 0 3 311.769 2.318 20 5 DEBDHN CNC(=O)CCN(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000179409021 199029831 /nfs/dbraw/zinc/02/98/31/199029831.db2.gz JKAHDFADBDOQEM-UHFFFAOYSA-N 0 3 317.345 2.423 20 5 DEBDHN CCCN(C(=O)c1ccc([N+](=O)[O-])c(C)c1)[C@@H]1CCN(C)C1 ZINC000592833345 357954213 /nfs/dbraw/zinc/95/42/13/357954213.db2.gz YWUDCWBUSKKBLZ-CQSZACIVSA-N 0 3 305.378 2.460 20 5 DEBDHN CC1(C)CN[C@H]1C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000592966018 357978505 /nfs/dbraw/zinc/97/85/05/357978505.db2.gz SOHRIKPVQPZIJQ-AWEZNQCLSA-N 0 3 303.362 2.084 20 5 DEBDHN CCCN(C(=O)Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCN(C)C1 ZINC000593748572 358136371 /nfs/dbraw/zinc/13/63/71/358136371.db2.gz JRJPKNSOFZLTQG-AWEZNQCLSA-N 0 3 323.368 2.219 20 5 DEBDHN Cc1cc(C(=O)N(C)CCN2CCCCC2)cc([N+](=O)[O-])c1 ZINC000593884674 358164922 /nfs/dbraw/zinc/16/49/22/358164922.db2.gz WLRHRRUPWHLQBZ-UHFFFAOYSA-N 0 3 305.378 2.461 20 5 DEBDHN Cc1csc(=O)n1CCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180419003 199156796 /nfs/dbraw/zinc/15/67/96/199156796.db2.gz NLDXEUWHUNQGJB-NSHDSACASA-N 0 3 307.375 2.477 20 5 DEBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCC[C@]1(O)CCCOC1 ZINC000594507410 358286165 /nfs/dbraw/zinc/28/61/65/358286165.db2.gz MDSGSHIQIJHDAJ-GDBMZVCRSA-N 0 3 306.362 2.103 20 5 DEBDHN C[C@H](NC1CCN([C@@H]2CCOC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000594516470 358287943 /nfs/dbraw/zinc/28/79/43/358287943.db2.gz ZVTSTEQQBRFUBI-DZGCQCFKSA-N 0 3 319.405 2.499 20 5 DEBDHN C[C@H](NC1CCN([C@H]2CCOC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000594516473 358288198 /nfs/dbraw/zinc/28/81/98/358288198.db2.gz ZVTSTEQQBRFUBI-ZFWWWQNUSA-N 0 3 319.405 2.499 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC1(C(N)=O)CCCC1 ZINC000595011590 358377670 /nfs/dbraw/zinc/37/76/70/358377670.db2.gz ZRQZZFUHOFOTBO-LLVKDONJSA-N 0 3 321.377 2.300 20 5 DEBDHN Cc1noc(CN2CCC[C@H]2CN2CCCCC2)c1[N+](=O)[O-] ZINC000595305748 358417829 /nfs/dbraw/zinc/41/78/29/358417829.db2.gz JWGYPNNYYOJCBH-ZDUSSCGKSA-N 0 3 308.382 2.342 20 5 DEBDHN CS[C@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000595404214 358440824 /nfs/dbraw/zinc/44/08/24/358440824.db2.gz OVFFXCGJJLPMJI-KGLIPLIRSA-N 0 3 313.398 2.211 20 5 DEBDHN CC[C@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000595764860 358543569 /nfs/dbraw/zinc/54/35/69/358543569.db2.gz FITJEUVZWJUXNL-AWEZNQCLSA-N 0 3 303.362 2.262 20 5 DEBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@H]2C[C@H]2C1 ZINC000595812750 358554992 /nfs/dbraw/zinc/55/49/92/358554992.db2.gz YQYQSQBQLFGYDR-RYUDHWBXSA-N 0 3 317.345 2.235 20 5 DEBDHN C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596086030 358607145 /nfs/dbraw/zinc/60/71/45/358607145.db2.gz SPDPVGBABRJKEL-UTUOFQBUSA-N 0 3 308.382 2.474 20 5 DEBDHN COc1cc(C(=O)N[C@@H]2CCN(C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000597925547 359043762 /nfs/dbraw/zinc/04/37/62/359043762.db2.gz XDNOTOYUOOSCOE-GFCCVEGCSA-N 0 3 321.377 2.206 20 5 DEBDHN Cc1cc(C(=O)N2CCC[C@@]3(CCN(C)C3)C2)ccc1[N+](=O)[O-] ZINC000597714200 358985359 /nfs/dbraw/zinc/98/53/59/358985359.db2.gz HDWMUKLXIJGZCA-KRWDZBQOSA-N 0 3 317.389 2.461 20 5 DEBDHN CC(C)[C@@H]1CN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CCN1 ZINC000598569119 359243789 /nfs/dbraw/zinc/24/37/89/359243789.db2.gz ANSQMLUKDPCMNZ-AWEZNQCLSA-N 0 3 319.405 2.329 20 5 DEBDHN CC(C)[C@H]1CN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CCN1 ZINC000598569799 359245161 /nfs/dbraw/zinc/24/51/61/359245161.db2.gz FDQAZOMUDLWRJN-SWLSCSKDSA-N 0 3 305.378 2.155 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCN(C)CC(F)F ZINC000599095015 359401580 /nfs/dbraw/zinc/40/15/80/359401580.db2.gz OOEZBCHWBLWEPX-JTQLQIEISA-N 0 3 317.336 2.451 20 5 DEBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@H](C)N1 ZINC000599102266 359403809 /nfs/dbraw/zinc/40/38/09/359403809.db2.gz COSCSIXUQMHQMP-DTORHVGOSA-N 0 3 301.293 2.383 20 5 DEBDHN CCO[C@H]1C[C@H](N(C)CCn2c(C)ncc2[N+](=O)[O-])C12CCC2 ZINC000602783901 360552748 /nfs/dbraw/zinc/55/27/48/360552748.db2.gz HRPKKQMFODUVBX-KBPBESRZSA-N 0 3 322.409 2.379 20 5 DEBDHN O=[N+]([O-])c1ccccc1N1CCCN(C[C@H]2CCCO2)CC1 ZINC000603560170 360845409 /nfs/dbraw/zinc/84/54/09/360845409.db2.gz HIJXONZWUTYYQE-CQSZACIVSA-N 0 3 305.378 2.286 20 5 DEBDHN COCC[C@@](C)(O)CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192871918 200954580 /nfs/dbraw/zinc/95/45/80/200954580.db2.gz AAXBNCYUGRKPEX-HZPDHXFCSA-N 0 3 308.378 2.349 20 5 DEBDHN Cc1ccc(C(=O)N[C@H]2CCN(CC3CC3)C2)cc1[N+](=O)[O-] ZINC000609383622 361308021 /nfs/dbraw/zinc/30/80/21/361308021.db2.gz XHBPOKJHCDEIIK-AWEZNQCLSA-N 0 3 303.362 2.117 20 5 DEBDHN Cc1c(C(=O)N[C@@H]2CCN(CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000609383557 361308211 /nfs/dbraw/zinc/30/82/11/361308211.db2.gz UBFPIWYBTRHLJN-CYBMUJFWSA-N 0 3 303.362 2.117 20 5 DEBDHN O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H]1CCN(CC2CC2)C1 ZINC000609391174 361309580 /nfs/dbraw/zinc/30/95/80/361309580.db2.gz CLPGUICPHAHFKO-ZDUSSCGKSA-N 0 3 304.350 2.201 20 5 DEBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCCN(C2CCCC2)CC1 ZINC000609997402 361351545 /nfs/dbraw/zinc/35/15/45/361351545.db2.gz OAVORSXQTWLDMK-UHFFFAOYSA-N 0 3 320.393 2.024 20 5 DEBDHN O=[N+]([O-])c1sccc1N1CCC(CN2CCOCC2)CC1 ZINC000610514893 361413515 /nfs/dbraw/zinc/41/35/15/361413515.db2.gz KWBVKGFSQGAWRY-UHFFFAOYSA-N 0 3 311.407 2.205 20 5 DEBDHN O=[N+]([O-])c1ccc(N2CCC(CN3CCOCC3)CC2)s1 ZINC000610514956 361413715 /nfs/dbraw/zinc/41/37/15/361413715.db2.gz VFTMCKOQKSKNLU-UHFFFAOYSA-N 0 3 311.407 2.205 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(NCCN2CCC(OC)CC2)c1 ZINC000610573664 361424658 /nfs/dbraw/zinc/42/46/58/361424658.db2.gz MZUXMXSCPKMULJ-UHFFFAOYSA-N 0 3 309.366 2.126 20 5 DEBDHN CC[C@H](CN1CCCC1)NC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619436948 363793428 /nfs/dbraw/zinc/79/34/28/363793428.db2.gz ZOYZBUYCBUHQOD-GFCCVEGCSA-N 0 3 321.377 2.208 20 5 DEBDHN O=[N+]([O-])c1ccc(CNC[C@@H](CO)Cc2ccco2)c(F)c1 ZINC000611498155 361613296 /nfs/dbraw/zinc/61/32/96/361613296.db2.gz UMJPWLCYPBBBOB-NSHDSACASA-N 0 3 308.309 2.268 20 5 DEBDHN Cn1ncc(CCCNCc2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC000292884964 223291767 /nfs/dbraw/zinc/29/17/67/223291767.db2.gz FHKDNVOYJZCELA-UHFFFAOYSA-N 0 3 309.757 2.099 20 5 DEBDHN CC[C@H]1CN(C)CCCN1C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000619578327 363832940 /nfs/dbraw/zinc/83/29/40/363832940.db2.gz GKGJUTDQHRVOAG-AWEZNQCLSA-N 0 3 305.378 2.460 20 5 DEBDHN O=C(NCc1ccc([N+](=O)[O-])cc1)C1CCN(C2CC2)CC1 ZINC000195368262 201385408 /nfs/dbraw/zinc/38/54/08/201385408.db2.gz IRTQTNVFZQIMJL-UHFFFAOYSA-N 0 3 303.362 2.085 20 5 DEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 ZINC000449172659 240159090 /nfs/dbraw/zinc/15/90/90/240159090.db2.gz WDDPVUXDZOUGHZ-DMEJVMROSA-N 0 3 317.389 2.125 20 5 DEBDHN CO[C@@H]1CCCC[C@@H]1N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000275199150 212190643 /nfs/dbraw/zinc/19/06/43/212190643.db2.gz HPOKIXPGVLVRLZ-BYCMXARLSA-N 0 3 321.377 2.469 20 5 DEBDHN CC[C@H]1CN(c2ccc([N+](=O)[O-])c(C)c2)CCN1C[C@@H](C)O ZINC000266433017 205340632 /nfs/dbraw/zinc/34/06/32/205340632.db2.gz URSRBSDDVLHYOZ-KGLIPLIRSA-N 0 3 307.394 2.185 20 5 DEBDHN C[C@@H](CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)N1CCCC1 ZINC000160972435 197453469 /nfs/dbraw/zinc/45/34/69/197453469.db2.gz XPGOIQUXDBSFAN-JTQLQIEISA-N 0 3 311.769 2.462 20 5 DEBDHN COc1cc(C(=O)N[C@@H](C)CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000160108166 197385842 /nfs/dbraw/zinc/38/58/42/197385842.db2.gz WGPFBJMZFRRPDA-LBPRGKRZSA-N 0 3 321.377 2.208 20 5 DEBDHN C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c3nonc32)CN1C1CC1 ZINC000267868962 206312492 /nfs/dbraw/zinc/31/24/92/206312492.db2.gz LDJYYGYXXVBNSJ-RKDXNWHRSA-N 0 3 303.322 2.168 20 5 DEBDHN C[C@H](NC(=O)NC(C)(C)CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000457856985 248045008 /nfs/dbraw/zinc/04/50/08/248045008.db2.gz SYCSWSCKLRBMBX-NSHDSACASA-N 0 3 308.382 2.295 20 5 DEBDHN CN(C)CC(C)(C)NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000459549325 248644956 /nfs/dbraw/zinc/64/49/56/248644956.db2.gz NEGCREIEIFZEPJ-UHFFFAOYSA-N 0 3 319.365 2.075 20 5 DEBDHN CN(C)C1(CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CCC1 ZINC000492963144 249183898 /nfs/dbraw/zinc/18/38/98/249183898.db2.gz ZQSRAXCIEOCSIA-BQYQJAHWSA-N 0 3 303.362 2.209 20 5 DEBDHN C[C@@H](NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCOCC1 ZINC000284148103 217903475 /nfs/dbraw/zinc/90/34/75/217903475.db2.gz PFEPRFGNPZZAJM-SNVBAGLBSA-N 0 3 309.322 2.408 20 5 DEBDHN CCOC(=O)c1cc(NCC2=CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000274057444 211315369 /nfs/dbraw/zinc/31/53/69/211315369.db2.gz ZNVXRLKRYHEPSF-UHFFFAOYSA-N 0 3 319.361 2.445 20 5 DEBDHN O=c1ccc([N+](=O)[O-])cn1CCN(Cc1ccccc1)C1CC1 ZINC000159711407 197361563 /nfs/dbraw/zinc/36/15/63/197361563.db2.gz YGRZVTNRVRVWNQ-UHFFFAOYSA-N 0 3 313.357 2.421 20 5 DEBDHN C[C@H](NCCC(=O)N1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285003715 218252977 /nfs/dbraw/zinc/25/29/77/218252977.db2.gz GWKNBDOFHFDCAP-LBPRGKRZSA-N 0 3 320.393 2.230 20 5 DEBDHN COc1ccc(CNCCOCC(F)(F)F)cc1[N+](=O)[O-] ZINC000106466244 194219575 /nfs/dbraw/zinc/21/95/75/194219575.db2.gz DNCKKJRMFMVLMW-UHFFFAOYSA-N 0 3 308.256 2.272 20 5 DEBDHN C[C@@]1(NCC(=O)Nc2ccccc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000273115730 210493385 /nfs/dbraw/zinc/49/33/85/210493385.db2.gz YMOCHFXFJLYUII-HZPDHXFCSA-N 0 3 319.361 2.081 20 5 DEBDHN CCOC[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000286253208 218875013 /nfs/dbraw/zinc/87/50/13/218875013.db2.gz SIVDDROCNFYLFR-OAHLLOKOSA-N 0 3 323.393 2.492 20 5 DEBDHN CNC(=O)c1ccc(N[C@H](C)C2=CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000272997762 210377650 /nfs/dbraw/zinc/37/76/50/210377650.db2.gz QVGYWMJTAVADNJ-LLVKDONJSA-N 0 3 318.377 2.017 20 5 DEBDHN CC(C)CCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000272925953 210312341 /nfs/dbraw/zinc/31/23/41/210312341.db2.gz JZSYKIHFCXXXDZ-UHFFFAOYSA-N 0 3 300.380 2.004 20 5 DEBDHN O=[N+]([O-])c1cccnc1N1CCN(C[C@@H]2CC=CCC2)CC1 ZINC000295948377 285165980 /nfs/dbraw/zinc/16/59/80/285165980.db2.gz HEFQFSQFHHVGJR-CQSZACIVSA-N 0 3 302.378 2.468 20 5 DEBDHN COC[C@H](NCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(C)C ZINC000543453248 285287844 /nfs/dbraw/zinc/28/78/44/285287844.db2.gz JDWKKIOMDQCTFT-AWEZNQCLSA-N 0 3 309.366 2.102 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1CN1CCN(C)C[C@H]1C(C)C ZINC000330991462 533219914 /nfs/dbraw/zinc/21/99/14/533219914.db2.gz NCSNDNORKDWHBR-HNNXBMFYSA-N 0 3 307.394 2.375 20 5 DEBDHN CC(C)(CO)[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1cccs1 ZINC000289803432 221236467 /nfs/dbraw/zinc/23/64/67/221236467.db2.gz NTSMEWVWDISODE-ZDUSSCGKSA-N 0 3 324.406 2.202 20 5 DEBDHN C[C@@H](NC1CC1)C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000296565670 533332380 /nfs/dbraw/zinc/33/23/80/533332380.db2.gz VPHVLNODODZGOG-SECBINFHSA-N 0 3 311.769 2.347 20 5 DEBDHN COC[C@](C)(CC(=O)OC)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000350313045 132874297 /nfs/dbraw/zinc/87/42/97/132874297.db2.gz DYKHAROEVXVSLE-IOBAAEILSA-N 0 3 322.361 2.166 20 5 DEBDHN C[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000355355188 133020940 /nfs/dbraw/zinc/02/09/40/133020940.db2.gz SMYKFEPGRLMMQI-FRRDWIJNSA-N 0 3 321.377 2.327 20 5 DEBDHN Cc1cc(NC(=O)N2CC[C@H]3CCN(C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000372960502 133371928 /nfs/dbraw/zinc/37/19/28/133371928.db2.gz WEIIVVSSXCVHCF-IUODEOHRSA-N 0 3 318.377 2.461 20 5 DEBDHN CC(C)(C)NC(=O)CCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563419886 292056149 /nfs/dbraw/zinc/05/61/49/292056149.db2.gz ZXALEZGGHAEKJM-ZDUSSCGKSA-N 0 3 305.378 2.477 20 5 DEBDHN COc1cc(CN[C@@H]2C[C@@H]3OCCC[C@H]23)c([N+](=O)[O-])cc1OC ZINC000190347272 145041227 /nfs/dbraw/zinc/04/12/27/145041227.db2.gz OBBCTDMFFUWVFZ-BZPMIXESSA-N 0 3 322.361 2.269 20 5 DEBDHN O=[N+]([O-])c1cnn(CCN[C@@H]2CCCc3c(O)cccc32)c1 ZINC000192356845 145073536 /nfs/dbraw/zinc/07/35/36/145073536.db2.gz ZRGOQYAXERGAEH-CQSZACIVSA-N 0 3 302.334 2.164 20 5 DEBDHN C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)N1CCCC[C@@H]1C ZINC000344988439 404486107 /nfs/dbraw/zinc/48/61/07/404486107.db2.gz NKXWBFCGXHHQOY-NWDGAFQWSA-N 0 3 320.393 2.170 20 5 DEBDHN C[C@H]1C[C@@H]1N1CCN(C(=O)c2csc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000346165072 146029086 /nfs/dbraw/zinc/02/90/86/146029086.db2.gz DRTMVBCWGGBYPS-GVXVVHGQSA-N 0 3 323.418 2.459 20 5 DEBDHN CCN1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000346460580 146086038 /nfs/dbraw/zinc/08/60/38/146086038.db2.gz JXZDXQRQNQPFPC-ZDUSSCGKSA-N 0 3 321.377 2.208 20 5 DEBDHN CN(c1ccc(Cl)cc1[N+](=O)[O-])C1CCN(CCO)CC1 ZINC000349245421 146361576 /nfs/dbraw/zinc/36/15/76/146361576.db2.gz VACWMHUMLYSFOX-UHFFFAOYSA-N 0 3 313.785 2.141 20 5 DEBDHN COc1cc(CN(C)CCN(C)C2CC2)c([N+](=O)[O-])cc1OC ZINC000349411442 146376913 /nfs/dbraw/zinc/37/69/13/146376913.db2.gz XCDOTONSFHSOQV-UHFFFAOYSA-N 0 3 323.393 2.138 20 5 DEBDHN Cc1c(CNC(=O)N(C)CCN(C)C2CC2)cccc1[N+](=O)[O-] ZINC000359544714 147348190 /nfs/dbraw/zinc/34/81/90/147348190.db2.gz GPRRTYHMTDFWCJ-UHFFFAOYSA-N 0 3 320.393 2.139 20 5 DEBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@@H](C3CCOCC3)C2)c1 ZINC000374364162 148236451 /nfs/dbraw/zinc/23/64/51/148236451.db2.gz FSFWEYBEZDAMMB-NVXWUHKLSA-N 0 3 320.389 2.377 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CC[C@H](C1)N2C ZINC000073995450 401727019 /nfs/dbraw/zinc/72/70/19/401727019.db2.gz GJXAKBFURVVJQS-GXTWGEPZSA-N 0 3 303.362 2.212 20 5 DEBDHN CN(CCCOc1ccc([N+](=O)[O-])cc1)CCn1cccn1 ZINC000111282282 401708358 /nfs/dbraw/zinc/70/83/58/401708358.db2.gz IQMPLTMOONYKGD-UHFFFAOYSA-N 0 3 304.350 2.192 20 5 DEBDHN CO[C@@H]1CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000076348119 401792613 /nfs/dbraw/zinc/79/26/13/401792613.db2.gz MSVIGXBRJZYCIP-GFCCVEGCSA-N 0 3 307.350 2.034 20 5 DEBDHN CS(=O)(=O)[C@@H]1CCC[C@H](NCc2cccc([N+](=O)[O-])c2)C1 ZINC000077458219 401816393 /nfs/dbraw/zinc/81/63/93/401816393.db2.gz OHRUUEZAUNXDRN-GXTWGEPZSA-N 0 3 312.391 2.040 20 5 DEBDHN CN(CCOCC1CC1)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000088600729 401934261 /nfs/dbraw/zinc/93/42/61/401934261.db2.gz CLOBELNHILWKOH-UHFFFAOYSA-N 0 3 321.377 2.282 20 5 DEBDHN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[C@H](N2CCCC2)C1 ZINC000133849001 401894990 /nfs/dbraw/zinc/89/49/90/401894990.db2.gz FYAJSAFCYUXTTB-LBPRGKRZSA-N 0 3 307.325 2.044 20 5 DEBDHN O=[N+]([O-])c1cnn(CCN(CCC(F)(F)F)CC2CC2)c1 ZINC000084138505 401902637 /nfs/dbraw/zinc/90/26/37/401902637.db2.gz RIUMJUFDJBLKIZ-UHFFFAOYSA-N 0 3 306.288 2.456 20 5 DEBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CCc3ccncc3)C2)nc1 ZINC000118866503 401913112 /nfs/dbraw/zinc/91/31/12/401913112.db2.gz SOQONTNNHJKNDO-AWEZNQCLSA-N 0 3 313.361 2.114 20 5 DEBDHN COC[C@@H](N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000136639249 401970742 /nfs/dbraw/zinc/97/07/42/401970742.db2.gz OBAHDXHFNDCUEO-BXUZGUMPSA-N 0 3 321.377 2.245 20 5 DEBDHN CCN1CCCC[C@@H]1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000089304356 401941600 /nfs/dbraw/zinc/94/16/00/401941600.db2.gz NNFSQSCYMRKSTI-OAHLLOKOSA-N 0 3 305.378 2.128 20 5 DEBDHN Cc1cc(C(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000121166622 402018344 /nfs/dbraw/zinc/01/83/44/402018344.db2.gz WFJRUMYGRMNPIV-SWLSCSKDSA-N 0 3 305.378 2.315 20 5 DEBDHN O=[N+]([O-])c1ccccc1OCCN1CC[C@@H]2OCCC[C@@H]2C1 ZINC000153030286 402122952 /nfs/dbraw/zinc/12/29/52/402122952.db2.gz JHZAMGVWTCFFLU-HIFRSBDPSA-N 0 3 306.362 2.475 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCSCC1 ZINC000103467842 402189951 /nfs/dbraw/zinc/18/99/51/402189951.db2.gz CQYPMGPKSKRDFP-UHFFFAOYSA-N 0 3 309.391 2.281 20 5 DEBDHN CC(C)CN1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000154176992 402196945 /nfs/dbraw/zinc/19/69/45/402196945.db2.gz KPDOVWBSTVNIDT-LBPRGKRZSA-N 0 3 309.366 2.428 20 5 DEBDHN O=C1C[C@@H]([C@@H]2CCCCN2Cc2ccc([N+](=O)[O-])cc2F)CN1 ZINC000125556040 402239103 /nfs/dbraw/zinc/23/91/03/402239103.db2.gz TWAYUQQAAOKZRD-DOMZBBRYSA-N 0 3 321.352 2.225 20 5 DEBDHN CN(CCN(C)C1CC1)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000184783320 402299598 /nfs/dbraw/zinc/29/95/98/402299598.db2.gz NXYCGVXBHILIQL-UHFFFAOYSA-N 0 3 318.377 2.010 20 5 DEBDHN Cc1cc(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000177088816 402368581 /nfs/dbraw/zinc/36/85/81/402368581.db2.gz RYNJDMVLAFIABM-AAEUAGOBSA-N 0 3 303.362 2.258 20 5 DEBDHN Cc1c(NC(=O)[C@@H](C)N(C)C[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000247117831 402557513 /nfs/dbraw/zinc/55/75/13/402557513.db2.gz RMVAAKGLWJYSFO-CHWSQXEVSA-N 0 3 321.377 2.199 20 5 DEBDHN C[C@@H](NC(=O)NC[C@@H]1CCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000171755316 402618356 /nfs/dbraw/zinc/61/83/56/402618356.db2.gz AWCSLIDQTAZBNS-OLZOCXBDSA-N 0 3 320.393 2.297 20 5 DEBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCCC1(O)CCOCC1 ZINC000566476420 292245719 /nfs/dbraw/zinc/24/57/19/292245719.db2.gz YQSUUFSPXQCUEA-CQSZACIVSA-N 0 3 306.362 2.103 20 5 DEBDHN C[C@@H](NCCN1CCOC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000173389456 402695527 /nfs/dbraw/zinc/69/55/27/402695527.db2.gz ONWIAVOOHKKFMU-CYBMUJFWSA-N 0 3 307.394 2.356 20 5 DEBDHN O=C1C[C@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CN1C1CC1 ZINC000193013465 402760751 /nfs/dbraw/zinc/76/07/51/402760751.db2.gz AGGZCCHAVRXDOG-BLLLJJGKSA-N 0 3 315.373 2.325 20 5 DEBDHN COc1ccc(NC(=O)C2CCN(C3CC3)CC2)cc1[N+](=O)[O-] ZINC000278837913 402876661 /nfs/dbraw/zinc/87/66/61/402876661.db2.gz RDIIJPTWKVMHSN-UHFFFAOYSA-N 0 3 319.361 2.416 20 5 DEBDHN C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)N(C)C1CC1 ZINC000273373235 402998906 /nfs/dbraw/zinc/99/89/06/402998906.db2.gz HDLANJPGLSCZAE-VIFPVBQESA-N 0 3 310.329 2.338 20 5 DEBDHN O=[N+]([O-])c1ccc(Cl)c(CNC[C@@]2(O)CCSC2)c1 ZINC000267034724 403010150 /nfs/dbraw/zinc/01/01/50/403010150.db2.gz LGGDXNHWAPPYCM-LBPRGKRZSA-N 0 3 302.783 2.206 20 5 DEBDHN O=[N+]([O-])c1ccn(CCN2CC[C@@H](c3cccc(F)c3)C2)n1 ZINC000267095924 403015147 /nfs/dbraw/zinc/01/51/47/403015147.db2.gz RLRSLBHEQTWDKF-CYBMUJFWSA-N 0 3 304.325 2.420 20 5 DEBDHN COc1ccc(OCCN(C)C[C@@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC000266553874 402973357 /nfs/dbraw/zinc/97/33/57/402973357.db2.gz UYVKRWXYXAVKKW-AWEZNQCLSA-N 0 3 324.377 2.483 20 5 DEBDHN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[C@H](N2CCCCC2)C1 ZINC000268120496 403050864 /nfs/dbraw/zinc/05/08/64/403050864.db2.gz ALUZLUGIBSZWQV-ZDUSSCGKSA-N 0 3 321.352 2.434 20 5 DEBDHN Cc1cc(N[C@@H](C)CCN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000274426471 403054647 /nfs/dbraw/zinc/05/46/47/403054647.db2.gz DEXXZWJUFSAXCU-AWEZNQCLSA-N 0 3 306.410 2.341 20 5 DEBDHN C[C@@H](CCN1CCN(C)CC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000274430486 403055126 /nfs/dbraw/zinc/05/51/26/403055126.db2.gz DUDGXUZXEXYZJI-LBPRGKRZSA-N 0 3 310.373 2.172 20 5 DEBDHN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)[C@H](c1ccccc1)N(C)C ZINC000274710826 403080703 /nfs/dbraw/zinc/08/07/03/403080703.db2.gz QFBSVOVPYRYSEV-IAQYHMDHSA-N 0 3 316.361 2.344 20 5 DEBDHN CN(C)C1(CNC(=O)CCc2cccc([N+](=O)[O-])c2)CCC1 ZINC000276050954 403142224 /nfs/dbraw/zinc/14/22/24/403142224.db2.gz ULDPSDPEVNGMAS-UHFFFAOYSA-N 0 3 305.378 2.128 20 5 DEBDHN CN(C)C1(CNC(=O)CSc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000276055986 403142713 /nfs/dbraw/zinc/14/27/13/403142713.db2.gz USXSGUHJPHSGSM-UHFFFAOYSA-N 0 3 323.418 2.287 20 5 DEBDHN Cc1cc(N2CCC(NCc3cccc([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000276073474 403144169 /nfs/dbraw/zinc/14/41/69/403144169.db2.gz SUSFMDADPFTHAD-UHFFFAOYSA-N 0 3 315.377 2.385 20 5 DEBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC(n3ccnc3)CC2)c1 ZINC000269656807 403154495 /nfs/dbraw/zinc/15/44/95/403154495.db2.gz ORPFJLLHCUPQDP-MRXNPFEDSA-N 0 3 316.361 2.162 20 5 DEBDHN C[C@H](NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCOCC1 ZINC000284148100 403249080 /nfs/dbraw/zinc/24/90/80/403249080.db2.gz PFEPRFGNPZZAJM-JTQLQIEISA-N 0 3 309.322 2.408 20 5 DEBDHN CC(C)NC(=O)c1ccc(NCCN2CCCC2)c([N+](=O)[O-])c1 ZINC000292305293 403349535 /nfs/dbraw/zinc/34/95/35/403349535.db2.gz NCIFTIVKLWYVIN-UHFFFAOYSA-N 0 3 320.393 2.241 20 5 DEBDHN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000285604827 403338070 /nfs/dbraw/zinc/33/80/70/403338070.db2.gz WWJAWMKGWPUFDI-UKRRQHHQSA-N 0 3 305.378 2.378 20 5 DEBDHN CN1CCC(Cc2nc(Cc3ccccc3[N+](=O)[O-])no2)CC1 ZINC000345548347 403375254 /nfs/dbraw/zinc/37/52/54/403375254.db2.gz USJMDAZTOFTWKI-UHFFFAOYSA-N 0 3 316.361 2.453 20 5 DEBDHN CN1CCCC[C@H]1CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000298516297 403403089 /nfs/dbraw/zinc/40/30/89/403403089.db2.gz PYILIDLLQISDSB-NSHDSACASA-N 0 3 317.345 2.065 20 5 DEBDHN C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])[n-]1)c1cccs1 ZINC000298868497 403477319 /nfs/dbraw/zinc/47/73/19/403477319.db2.gz JXSPNGGKBKMXBY-SNVBAGLBSA-N 0 3 308.363 2.017 20 5 DEBDHN C[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000299082149 403517106 /nfs/dbraw/zinc/51/71/06/403517106.db2.gz XRMPOIGEPPGRMV-STQMWFEESA-N 0 3 305.378 2.445 20 5 DEBDHN CCN1CCC[C@@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000332339246 403554827 /nfs/dbraw/zinc/55/48/27/403554827.db2.gz RWXNNYXUCIIYEN-LLVKDONJSA-N 0 3 316.361 2.290 20 5 DEBDHN CCCN(CCN1CCCC1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000287266880 403563826 /nfs/dbraw/zinc/56/38/26/403563826.db2.gz KHMFEFQUCLPETD-UHFFFAOYSA-N 0 3 319.405 2.472 20 5 DEBDHN Cc1ccc(CN[C@H]2CCO[C@H]2c2nccn2C)cc1[N+](=O)[O-] ZINC000343406364 403573703 /nfs/dbraw/zinc/57/37/03/403573703.db2.gz VBVPBNKOUZXBNS-DZGCQCFKSA-N 0 3 316.361 2.257 20 5 DEBDHN CC1(C)C[C@@H](NC[C@H]2CC[C@@H](CO)O2)c2cc([N+](=O)[O-])ccc21 ZINC000293988310 403617096 /nfs/dbraw/zinc/61/70/96/403617096.db2.gz BVTQHAVQDDADBY-DVOMOZLQSA-N 0 3 320.389 2.447 20 5 DEBDHN C[C@H](NC1CC1)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000295152929 403776508 /nfs/dbraw/zinc/77/65/08/403776508.db2.gz JRQDAPWGKQQQOK-LBPRGKRZSA-N 0 3 305.378 2.174 20 5 DEBDHN CCCN1CCC[C@H]1CNc1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000343945828 403802913 /nfs/dbraw/zinc/80/29/13/403802913.db2.gz GRDABJTWDVPIMS-ZDUSSCGKSA-N 0 3 320.393 2.241 20 5 DEBDHN CO[C@H]1CCCC[C@@H]1NCC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000361762855 403849734 /nfs/dbraw/zinc/84/97/34/403849734.db2.gz CPMCMFQYMXOKIH-JSGCOSHPSA-N 0 3 321.377 2.389 20 5 DEBDHN C[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000295341377 403867999 /nfs/dbraw/zinc/86/79/99/403867999.db2.gz MOKZVPVUHBQGRQ-ZDUSSCGKSA-N 0 3 317.389 2.080 20 5 DEBDHN COc1ccc(OCCN2CC[C@@H](CO)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000344177811 403959175 /nfs/dbraw/zinc/95/91/75/403959175.db2.gz SJAPLTVARUPVBW-QWHCGFSZSA-N 0 3 324.377 2.075 20 5 DEBDHN O=[N+]([O-])c1ccn(C2CCN(CCc3cncs3)CC2)n1 ZINC000411651302 403924593 /nfs/dbraw/zinc/92/45/93/403924593.db2.gz CKOSSMJSQMUHHV-UHFFFAOYSA-N 0 3 307.379 2.127 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](c2nc(C)n[nH]2)C1 ZINC000412038140 404075742 /nfs/dbraw/zinc/07/57/42/404075742.db2.gz JBWPNOKXPWZNST-GFCCVEGCSA-N 0 3 317.349 2.019 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](c2n[nH]c(C)n2)C1 ZINC000412038140 404075750 /nfs/dbraw/zinc/07/57/50/404075750.db2.gz JBWPNOKXPWZNST-GFCCVEGCSA-N 0 3 317.349 2.019 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](c2nnc(C)[nH]2)C1 ZINC000412038140 404075757 /nfs/dbraw/zinc/07/57/57/404075757.db2.gz JBWPNOKXPWZNST-GFCCVEGCSA-N 0 3 317.349 2.019 20 5 DEBDHN C[C@H]1CCN(C)CCN1C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000351980251 404054327 /nfs/dbraw/zinc/05/43/27/404054327.db2.gz BDJROSGZFUHYTQ-ZDUSSCGKSA-N 0 3 319.405 2.425 20 5 DEBDHN C[C@H](NC(=O)NC[C@H](C)N(C)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000296328844 404199178 /nfs/dbraw/zinc/19/91/78/404199178.db2.gz GPEVSWWIHZCQGQ-RYUDHWBXSA-N 0 3 320.393 2.438 20 5 DEBDHN CC(C)N1CCN([C@H]2CCN(c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000363916651 404250602 /nfs/dbraw/zinc/25/06/02/404250602.db2.gz BPEIQJIESIRMSB-HNNXBMFYSA-N 0 3 318.421 2.200 20 5 DEBDHN O=C(C1CC1)N1CCC(NCc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000350634636 404429094 /nfs/dbraw/zinc/42/90/94/404429094.db2.gz UNECFNPPPZAUOA-UHFFFAOYSA-N 0 3 321.352 2.225 20 5 DEBDHN Cc1nc(N(CCN(C)C)Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000297401714 404554645 /nfs/dbraw/zinc/55/46/45/404554645.db2.gz FWIUCFXWGGMJMA-UHFFFAOYSA-N 0 3 315.377 2.261 20 5 DEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@@H]1CS(=O)(=O)C[C@@H]1C ZINC000342409640 404561386 /nfs/dbraw/zinc/56/13/86/404561386.db2.gz DHIIXHCUBOFTCF-USXITJPFSA-N 0 3 324.402 2.021 20 5 DEBDHN C[C@@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CCN1C ZINC000351604095 404666969 /nfs/dbraw/zinc/66/69/69/404666969.db2.gz DCTVFHADJHFEBM-NXEZZACHSA-N 0 3 310.329 2.338 20 5 DEBDHN Cc1ccc(NC(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)cc1[N+](=O)[O-] ZINC000414662408 404703311 /nfs/dbraw/zinc/70/33/11/404703311.db2.gz RGHOVDHDVKTHSE-ZYHUDNBSSA-N 0 3 322.365 2.138 20 5 DEBDHN C[C@@H]1[C@H](Nc2ncc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000377335154 404836341 /nfs/dbraw/zinc/83/63/41/404836341.db2.gz FVOXKZCAPARPGS-IUODEOHRSA-N 0 3 313.361 2.460 20 5 DEBDHN CN(C)[C@@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@H]1O ZINC000359953222 404810932 /nfs/dbraw/zinc/81/09/32/404810932.db2.gz AFHKNKGJRFYCJE-GHMZBOCLSA-N 0 3 320.176 2.013 20 5 DEBDHN CNc1c(C(=O)N[C@H](C)C2=CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000360936007 404856051 /nfs/dbraw/zinc/85/60/51/404856051.db2.gz CZMKWADOMARTFB-LLVKDONJSA-N 0 3 318.377 2.017 20 5 DEBDHN C[C@H]1CCN(C)CCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000354021714 405006854 /nfs/dbraw/zinc/00/68/54/405006854.db2.gz YSJPCBIEVYVZDZ-NSHDSACASA-N 0 3 316.361 2.242 20 5 DEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC(CF)CC2)c1 ZINC000451381008 404974919 /nfs/dbraw/zinc/97/49/19/404974919.db2.gz CXDYVKATVZCVNX-AWEZNQCLSA-N 0 3 312.341 2.016 20 5 DEBDHN Cc1ccc([C@@H](C)NCCN2C[C@H]3CC[C@@H](C2)O3)cc1[N+](=O)[O-] ZINC000367590775 405094935 /nfs/dbraw/zinc/09/49/35/405094935.db2.gz URKJEDPXODYIFR-BMFZPTHFSA-N 0 3 319.405 2.417 20 5 DEBDHN CCc1[n-]nc(-c2nc(C3([NH3+])CCCCC3)no2)c1[N+](=O)[O-] ZINC000424343736 405072805 /nfs/dbraw/zinc/07/28/05/405072805.db2.gz KIZBMPOWELUOND-UHFFFAOYSA-N 0 3 306.326 2.048 20 5 DEBDHN CC(C)N(CCN(C)C)C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000568347656 292332522 /nfs/dbraw/zinc/33/25/22/292332522.db2.gz FQVDTEPYUKGWOC-ZDUSSCGKSA-N 0 3 307.394 2.497 20 5 DEBDHN CO[C@@H]1C[C@H](N[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC000439523553 405284076 /nfs/dbraw/zinc/28/40/76/405284076.db2.gz YGIFEYKNEDJLKS-LEWSCRJBSA-N 0 3 321.377 2.325 20 5 DEBDHN CN1CCC2(CCN(Cc3ccc([N+](=O)[O-])cc3F)CC2)C1=O ZINC000447055215 405400599 /nfs/dbraw/zinc/40/05/99/405400599.db2.gz FCSLZRAIJCGEEK-UHFFFAOYSA-N 0 3 321.352 2.178 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CCCN1C ZINC000421711584 405606805 /nfs/dbraw/zinc/60/68/05/405606805.db2.gz OXDJPLVVSVMLPW-ZDUSSCGKSA-N 0 3 305.378 2.378 20 5 DEBDHN COc1c(C(=O)N(C)[C@H]2CCN(C(C)C)C2)cccc1[N+](=O)[O-] ZINC000457082162 405686386 /nfs/dbraw/zinc/68/63/86/405686386.db2.gz DQRSGBCVYYODMD-LBPRGKRZSA-N 0 3 321.377 2.158 20 5 DEBDHN CC(C)[C@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)CCN1C ZINC000487157002 406210568 /nfs/dbraw/zinc/21/05/68/406210568.db2.gz TVDHNRJCWJZDCA-CQSZACIVSA-N 0 3 315.377 2.314 20 5 DEBDHN COC(=O)Cc1ccc(NC[C@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC000519863798 406265420 /nfs/dbraw/zinc/26/54/20/406265420.db2.gz DYECZMZHMJKQOY-CYBMUJFWSA-N 0 3 321.377 2.064 20 5 DEBDHN C[C@@H]1CCN(CCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000524719640 406455428 /nfs/dbraw/zinc/45/54/28/406455428.db2.gz FEVRUWVYIAWTDN-SNVBAGLBSA-N 0 3 311.769 2.320 20 5 DEBDHN C[C@H]1CCN(C)CCN1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000491891013 406766399 /nfs/dbraw/zinc/76/63/99/406766399.db2.gz YJZXUEIEBMVFCD-FWWRYZNZSA-N 0 3 303.362 2.161 20 5 DEBDHN Cc1cc(C(=O)N2[C@@H]3CC[C@H]2CCN(C)C3)ccc1[N+](=O)[O-] ZINC000552421566 406709023 /nfs/dbraw/zinc/70/90/23/406709023.db2.gz AYRZOOMLFZKHPG-UONOGXRCSA-N 0 3 303.362 2.212 20 5 DEBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@H]1CCCN(CCCO)C1 ZINC000570648748 292496628 /nfs/dbraw/zinc/49/66/28/292496628.db2.gz LROPBIVWNFJZDC-XJKSGUPXSA-N 0 3 319.405 2.019 20 5 DEBDHN COc1cc(N2C[C@@H](SC)[C@@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC000271640110 209084811 /nfs/dbraw/zinc/08/48/11/209084811.db2.gz PNRSLYCUNAGIKO-GXTWGEPZSA-N 0 3 311.407 2.085 20 5 DEBDHN Cc1ccc([C@@H](C)N[C@H]2CCCN(CCCO)C2)cc1[N+](=O)[O-] ZINC000297397685 227114397 /nfs/dbraw/zinc/11/43/97/227114397.db2.gz SHNFOZLQIYTXMJ-ZBFHGGJFSA-N 0 3 321.421 2.401 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)CCN(C)C1CC1 ZINC000421870657 230012436 /nfs/dbraw/zinc/01/24/36/230012436.db2.gz SSXWOUHBHOGETK-UHFFFAOYSA-N 0 3 305.378 2.378 20 5 DEBDHN CCC[C@H](NCCNc1cnccn1)c1cccc([N+](=O)[O-])c1 ZINC000361985114 424849149 /nfs/dbraw/zinc/84/91/49/424849149.db2.gz WYRQGGZAMXZRHS-HNNXBMFYSA-N 0 3 315.377 2.928 20 5 DEBDHN C[C@@H](CN(C)C)Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000343811739 424983922 /nfs/dbraw/zinc/98/39/22/424983922.db2.gz UVYXWSUHHHXNOI-LBPRGKRZSA-N 0 3 300.362 3.019 20 5 DEBDHN C[C@H](O)[C@@H]1C[C@H](C)CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000443345549 269136598 /nfs/dbraw/zinc/13/65/98/269136598.db2.gz SENWJPGSMKIXQW-WWGRRREGSA-N 0 3 308.378 2.455 20 5 DEBDHN CNC(=O)C[C@@H](C)N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000453351623 273948300 /nfs/dbraw/zinc/94/83/00/273948300.db2.gz GOHZXHQATHJCHW-YGRLFVJLSA-N 0 3 305.378 2.431 20 5 DEBDHN CS[C@H]1CN(c2nccc(C)c2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000274652110 274187393 /nfs/dbraw/zinc/18/73/93/274187393.db2.gz HKZUKTAQWXXFJM-OLZOCXBDSA-N 0 3 322.434 2.314 20 5 DEBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000252656404 277181359 /nfs/dbraw/zinc/18/13/59/277181359.db2.gz GGIOLVZLBIWIGJ-ZFWWWQNUSA-N 0 3 303.362 2.151 20 5 DEBDHN C[C@H](C(=O)N(C)CCN(C)C1CC1)c1ccc([N+](=O)[O-])cc1F ZINC000186771859 278134748 /nfs/dbraw/zinc/13/47/48/278134748.db2.gz OJKWKZBBYULBLY-NSHDSACASA-N 0 3 323.368 2.390 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCO[C@@H](CN(C)C)C1 ZINC000245529475 278866654 /nfs/dbraw/zinc/86/66/54/278866654.db2.gz RKOYTSNJAYONDK-HIFRSBDPSA-N 0 3 307.394 2.227 20 5 DEBDHN C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCN1C ZINC000343441128 280105997 /nfs/dbraw/zinc/10/59/97/280105997.db2.gz BTCWLEOIAWREFZ-ZANVPECISA-N 0 3 311.769 2.461 20 5 DEBDHN Cc1c(CC(=O)N[C@H](C)CN2CCCCC2)cccc1[N+](=O)[O-] ZINC000161432718 280224674 /nfs/dbraw/zinc/22/46/74/280224674.db2.gz MHPOOMSHDSIDAJ-CYBMUJFWSA-N 0 3 319.405 2.436 20 5 DEBDHN Cc1nc(N2CCN(C3CCC3)C[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000295742448 293297463 /nfs/dbraw/zinc/29/74/63/293297463.db2.gz YMCRAMHONCSIFM-LLVKDONJSA-N 0 3 305.382 2.004 20 5 DEBDHN Cc1ccnc(N2CCN([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000488716016 302272163 /nfs/dbraw/zinc/27/21/63/302272163.db2.gz QICLWMJCLKPDAA-KWCYVHTRSA-N 0 3 304.394 2.465 20 5 DEBDHN CC1(C)[C@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]2CCO[C@@H]21 ZINC000575001320 326209140 /nfs/dbraw/zinc/20/91/40/326209140.db2.gz COTMAPGJJOOVHA-KMUNFCNLSA-N 0 3 316.361 2.374 20 5 DEBDHN CS[C@H]1CN(c2ncc(C)cc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000575822123 326248731 /nfs/dbraw/zinc/24/87/31/326248731.db2.gz ZJEBJVZZBNJHGP-KBPBESRZSA-N 0 3 322.434 2.314 20 5 DEBDHN C[C@H](CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000576773410 326318501 /nfs/dbraw/zinc/31/85/01/326318501.db2.gz HLNIYRVUQIIJMP-CHWSQXEVSA-N 0 3 305.378 2.299 20 5 DEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H]1C[C@H]1c1ccco1 ZINC000583989895 331517998 /nfs/dbraw/zinc/51/79/98/331517998.db2.gz VGEXEKKACKFKBH-JHJVBQTASA-N 0 3 318.329 2.073 20 5 DEBDHN COC[C@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])[C@H]1CCCO1 ZINC000580345570 335123216 /nfs/dbraw/zinc/12/32/16/335123216.db2.gz LWAMYVNKHNMLDC-OFQRWUPVSA-N 0 3 306.362 2.366 20 5 DEBDHN Cc1nc(N(CCN(C)C)Cc2ccsc2)ncc1[N+](=O)[O-] ZINC000413454809 534440391 /nfs/dbraw/zinc/44/03/91/534440391.db2.gz NJZYHBKHKMDJOU-UHFFFAOYSA-N 0 3 321.406 2.323 20 5 DEBDHN COc1ccc(-c2ccc(CNC[C@H](C)O)o2)c([N+](=O)[O-])c1 ZINC000102418849 523131947 /nfs/dbraw/zinc/13/19/47/523131947.db2.gz IQJADGDBBYOQEV-JTQLQIEISA-N 0 3 306.318 2.334 20 5 DEBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000156286345 524896091 /nfs/dbraw/zinc/89/60/91/524896091.db2.gz ZUKWBATWIRBAQZ-ABAIWWIYSA-N 0 3 323.368 2.075 20 5 DEBDHN Cc1c(CN2CCN(CC(C)(C)O)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000249365763 525703974 /nfs/dbraw/zinc/70/39/74/525703974.db2.gz MKJSJSBMTFIBBL-ZDUSSCGKSA-N 0 3 321.421 2.180 20 5 DEBDHN NC1(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC2(CCC2)C1 ZINC001327496306 1148568727 /nfs/dbraw/zinc/56/87/27/1148568727.db2.gz RCMFPILRHACLEP-UHFFFAOYSA-N 0 3 315.373 2.141 20 5 DEBDHN CCC[C@@H](C)C(=O)NCCNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000292787477 528865401 /nfs/dbraw/zinc/86/54/01/528865401.db2.gz UPRLYDWABGWKOJ-GFCCVEGCSA-N 0 3 323.393 2.245 20 5 DEBDHN CCOC[C@H](O)CN[C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417313379 529010004 /nfs/dbraw/zinc/01/00/04/529010004.db2.gz PIEUIHLQGCENHT-ZBFHGGJFSA-N 0 3 308.378 2.349 20 5 DEBDHN CN1CC[C@@H]2CCN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000374903750 536460803 /nfs/dbraw/zinc/46/08/03/536460803.db2.gz QTFFVQIRTNQXDQ-QNQFUXMYSA-N 0 3 315.373 2.161 20 5 DEBDHN C[C@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000932339700 622693280 /nfs/dbraw/zinc/69/32/80/622693280.db2.gz ZTIMBIRUOPDKSF-LBPRGKRZSA-N 0 3 307.350 2.034 20 5 DEBDHN COc1c(O)ccc(CN2CCN(CC(C)C)CC2)c1[N+](=O)[O-] ZINC000891495432 624215352 /nfs/dbraw/zinc/21/53/52/624215352.db2.gz NBVNTYRXTDSSGA-UHFFFAOYSA-N 0 3 323.393 2.083 20 5 DEBDHN CN(C)[C@@H](CNc1c([N+](=O)[O-])cnn1C)c1cccc(F)c1 ZINC000891501986 624461129 /nfs/dbraw/zinc/46/11/29/624461129.db2.gz SNMGJSJEEXYQMH-LBPRGKRZSA-N 0 3 307.329 2.182 20 5 DEBDHN COCCC1(C[NH2+]Cc2ccc([O-])c(OC)c2[N+](=O)[O-])CC1 ZINC000893134683 625131966 /nfs/dbraw/zinc/13/19/66/625131966.db2.gz JYBZYCCRJLXEJN-UHFFFAOYSA-N 0 3 310.350 2.215 20 5 DEBDHN CCOC1CC(O)(CNCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000894060493 636100916 /nfs/dbraw/zinc/10/09/16/636100916.db2.gz SSYZOJABILXFFQ-UHFFFAOYSA-N 0 3 314.769 2.268 20 5 DEBDHN C[C@@H]1[C@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CCN1C ZINC000928435407 637228499 /nfs/dbraw/zinc/22/84/99/637228499.db2.gz RWYYDNBMNCQMNV-DGCLKSJQSA-N 0 3 305.378 2.081 20 5 DEBDHN O=[N+]([O-])c1ccc2c(cnn2CN2CC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000749800618 638683427 /nfs/dbraw/zinc/68/34/27/638683427.db2.gz RZLOJBWECFRSGY-CHWSQXEVSA-N 0 3 316.361 2.260 20 5 DEBDHN C[C@@H]1COCCN1CCNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761531130 640321638 /nfs/dbraw/zinc/32/16/38/640321638.db2.gz ANYFMDAVLHNAAH-LLVKDONJSA-N 0 3 313.785 2.059 20 5 DEBDHN COc1ncncc1CNC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897459674 640430667 /nfs/dbraw/zinc/43/06/67/640430667.db2.gz BOEKSWNDACFHFD-NSHDSACASA-N 0 3 302.334 2.287 20 5 DEBDHN Cn1ccnc1CNC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000765703313 640810882 /nfs/dbraw/zinc/81/08/82/640810882.db2.gz HLWXRBSAKILXKI-UHFFFAOYSA-N 0 3 315.377 2.087 20 5 DEBDHN CN(C)CCN(C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000898017747 641002603 /nfs/dbraw/zinc/00/26/03/641002603.db2.gz RSNIQLFYOSPYSA-JKSUJKDBSA-N 0 3 317.389 2.251 20 5 DEBDHN COc1cc(C(=O)OCCN2CCCCC2)ccc1[N+](=O)[O-] ZINC000770357559 641359750 /nfs/dbraw/zinc/35/97/50/641359750.db2.gz BJOHGOZBUBWKDA-UHFFFAOYSA-N 0 3 308.334 2.246 20 5 DEBDHN CC(C)CO[C@@H]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776587109 642189543 /nfs/dbraw/zinc/18/95/43/642189543.db2.gz UIVPAGOHAJUPEC-CVEARBPZSA-N 0 3 308.378 2.375 20 5 DEBDHN COc1ccccc1[C@H](CNCC[N+](=O)[O-])N1CCCCC1 ZINC000899869819 642197791 /nfs/dbraw/zinc/19/77/91/642197791.db2.gz APLXZLMMIKRTKF-HNNXBMFYSA-N 0 3 307.394 2.089 20 5 DEBDHN COc1ccccc1[C@@H](CNCC[N+](=O)[O-])N1CCCCC1 ZINC000899869820 642197812 /nfs/dbraw/zinc/19/78/12/642197812.db2.gz APLXZLMMIKRTKF-OAHLLOKOSA-N 0 3 307.394 2.089 20 5 DEBDHN Cc1nn(CN2CCC[C@@H]2C2CCOCC2)c(C)c1[N+](=O)[O-] ZINC000776770843 642206347 /nfs/dbraw/zinc/20/63/47/642206347.db2.gz CAUJTFSLKHBEPB-CQSZACIVSA-N 0 3 308.382 2.257 20 5 DEBDHN Cc1ccccc1[C@@H](CO)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000782080080 642823300 /nfs/dbraw/zinc/82/33/00/642823300.db2.gz BQHCAJQNTFJZQZ-SJORKVTESA-N 0 3 316.357 2.260 20 5 DEBDHN COc1cc([C@H](C)N[C@H](CO)C[C@@H]2CCCO2)cc([N+](=O)[O-])c1 ZINC000903218266 643293079 /nfs/dbraw/zinc/29/30/79/643293079.db2.gz BWLUHHMGJHZENE-WHOFXGATSA-N 0 3 324.377 2.184 20 5 DEBDHN COc1cc([C@@H](C)NC[C@@H]2C[C@@H]3COC[C@@H]3O2)cc([N+](=O)[O-])c1 ZINC000903223896 643295589 /nfs/dbraw/zinc/29/55/89/643295589.db2.gz MAHZTRWBAZLUGK-RPCMGYBJSA-N 0 3 322.361 2.058 20 5 DEBDHN CC(C)(C(=O)NCc1cccc([N+](=O)[O-])c1)N1CCCCC1 ZINC000906431598 644241423 /nfs/dbraw/zinc/24/14/23/644241423.db2.gz WQSBAKMWNGSXJW-UHFFFAOYSA-N 0 3 305.378 2.476 20 5 DEBDHN CC[C@@H]1CN(C)CCN1Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000840092708 645944730 /nfs/dbraw/zinc/94/47/30/645944730.db2.gz WVVFMGZFXYUQRO-CYBMUJFWSA-N 0 3 317.393 2.236 20 5 DEBDHN CSC[C@](C)(O)CNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000230167312 646720732 /nfs/dbraw/zinc/72/07/32/646720732.db2.gz AHAQXNIFPZXMHB-GFCCVEGCSA-N 0 3 304.799 2.452 20 5 DEBDHN CC(COC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)[N+](=O)[O-] ZINC000813102667 646728577 /nfs/dbraw/zinc/72/85/77/646728577.db2.gz IJYFSTUNGJPCHP-RISCZKNCSA-N 0 3 309.318 2.066 20 5 DEBDHN COc1ccc(C[C@@H](C)C(=O)OCC(C)[N+](=O)[O-])cc1OC ZINC000813105589 646729658 /nfs/dbraw/zinc/72/96/58/646729658.db2.gz PVGXAPZTKXOUAT-MNOVXSKESA-N 0 3 311.334 2.091 20 5 DEBDHN CC(COC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1)[N+](=O)[O-] ZINC000813108407 646730578 /nfs/dbraw/zinc/73/05/78/646730578.db2.gz XZJQSXYUHBTIKW-NRUUGDAUSA-N 0 3 306.318 2.103 20 5 DEBDHN CC(COC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)[N+](=O)[O-] ZINC000813111879 646731502 /nfs/dbraw/zinc/73/15/02/646731502.db2.gz BBUGMCZCMKUMGO-DTWKUNHWSA-N 0 3 314.319 2.284 20 5 DEBDHN COc1ccc(CCCC(=O)OCC(C)[N+](=O)[O-])c(OC)c1 ZINC000813114809 646732235 /nfs/dbraw/zinc/73/22/35/646732235.db2.gz HCRVREXJQXKOGF-NSHDSACASA-N 0 3 311.334 2.235 20 5 DEBDHN CC(COC(=O)CCc1ncc(-c2ccccc2)o1)[N+](=O)[O-] ZINC000813114823 646732413 /nfs/dbraw/zinc/73/24/13/646732413.db2.gz WTPVVYMWNLTNFR-LLVKDONJSA-N 0 3 304.302 2.483 20 5 DEBDHN CC(COC(=O)c1cnc(Oc2ccccc2)cn1)[N+](=O)[O-] ZINC000813114199 646732700 /nfs/dbraw/zinc/73/27/00/646732700.db2.gz NGPBBCLNIJLSMG-JTQLQIEISA-N 0 3 303.274 2.091 20 5 DEBDHN Cc1cc(C)n(Cc2cccc(C(=O)OCC(C)[N+](=O)[O-])c2)n1 ZINC000813115435 646732898 /nfs/dbraw/zinc/73/28/98/646732898.db2.gz RZAFFIUKWFTNKX-CYBMUJFWSA-N 0 3 317.345 2.370 20 5 DEBDHN CC(COC(=O)Cc1cc(F)ccc1Br)[N+](=O)[O-] ZINC000813113574 646733452 /nfs/dbraw/zinc/73/34/52/646733452.db2.gz GJVNRGKOZQJRNH-SSDOTTSWSA-N 0 3 320.114 2.339 20 5 DEBDHN O=[N+]([O-])c1ccc(CN[C@@H](C2CC2)[C@]2(CO)CCCO2)cc1F ZINC000815289113 646998364 /nfs/dbraw/zinc/99/83/64/646998364.db2.gz DGCUAWCWVZVQAF-JKSUJKDBSA-N 0 3 324.352 2.144 20 5 DEBDHN CN1C[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)[C@H]2C1 ZINC000816952492 647204610 /nfs/dbraw/zinc/20/46/10/647204610.db2.gz MDUXIKBQHIPJQD-MFKMUULPSA-N 0 3 309.753 2.024 20 5 DEBDHN COCCN1CC[C@@H](Nc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000731208244 647456611 /nfs/dbraw/zinc/45/66/11/647456611.db2.gz BCKBKPVZCROUMQ-SNVBAGLBSA-N 0 3 322.390 2.337 20 5 DEBDHN COc1ccc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)cc1O ZINC000819177238 647601972 /nfs/dbraw/zinc/60/19/72/647601972.db2.gz LOHFAMQQKPGFCI-HNNXBMFYSA-N 0 3 318.329 2.132 20 5 DEBDHN CC(C)N1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000825768519 648811237 /nfs/dbraw/zinc/81/12/37/648811237.db2.gz PRSTWEUDVIHIBJ-UHFFFAOYSA-N 0 3 309.341 2.290 20 5 DEBDHN CC(COC(=O)[C@]1(C(=O)OC(C)(C)C)CC=CCC1)[N+](=O)[O-] ZINC000845575340 651255978 /nfs/dbraw/zinc/25/59/78/651255978.db2.gz GZLAUISZTWSQFJ-ABAIWWIYSA-N 0 3 313.350 2.263 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)CN2CCCC2)c1 ZINC000845668229 651268643 /nfs/dbraw/zinc/26/86/43/651268643.db2.gz NHVIPHNCPDXIRK-NSHDSACASA-N 0 3 308.334 2.245 20 5 DEBDHN CC([C@H](OC(=O)c1cnn(C)c1)c1ccccc1F)[N+](=O)[O-] ZINC000845872566 651291102 /nfs/dbraw/zinc/29/11/02/651291102.db2.gz JSPXNEYZNTTZDX-ZANVPECISA-N 0 3 307.281 2.123 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCc1ccnn1C ZINC000850460490 651933646 /nfs/dbraw/zinc/93/36/46/651933646.db2.gz BMKFWWYCTFHAEL-LLVKDONJSA-N 0 3 304.350 2.230 20 5 DEBDHN C/C(=C\C(=O)N1CCN[C@H](C(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000856490087 651942379 /nfs/dbraw/zinc/94/23/79/651942379.db2.gz VVUIVVATSZQKAF-ISBHARSQSA-N 0 3 317.389 2.455 20 5 DEBDHN COC[C@@H](NCc1cc(F)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000852320549 652384921 /nfs/dbraw/zinc/38/49/21/652384921.db2.gz BIYJOOIQGXFULA-CQSZACIVSA-N 0 3 312.341 2.265 20 5 DEBDHN Cc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(C)[C@@H]2C)cc1Cl ZINC000928429743 693777714 /nfs/dbraw/zinc/77/77/14/693777714.db2.gz DMRPVXHMSBQBDN-SKDRFNHKSA-N 0 3 311.769 2.379 20 5 DEBDHN Cc1nnc(CCN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)o1 ZINC000930141080 694098865 /nfs/dbraw/zinc/09/88/65/694098865.db2.gz PJMJCETVHJAGLJ-UHFFFAOYSA-N 0 3 302.334 2.493 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C)C(C)(C)CC2)c1 ZINC000871153547 688736827 /nfs/dbraw/zinc/73/68/27/688736827.db2.gz PVFQXFIINKNXML-UHFFFAOYSA-N 0 3 321.377 2.160 20 5 DEBDHN CO[C@](C)(CO)CN[C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872084718 688924417 /nfs/dbraw/zinc/92/44/17/688924417.db2.gz UIPHAZBPDDAIFU-YGRLFVJLSA-N 0 3 314.407 2.365 20 5 DEBDHN COc1cc(N2CC[C@H]3[C@H]2CCCN3C)c(F)cc1[N+](=O)[O-] ZINC000872779852 689091766 /nfs/dbraw/zinc/09/17/66/689091766.db2.gz JAYBZOPQZNEOAD-NWDGAFQWSA-N 0 3 309.341 2.415 20 5 DEBDHN C[C@@H]1CC[C@@H](C(N)=O)[C@@H](C)N1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000930910846 694269402 /nfs/dbraw/zinc/26/94/02/694269402.db2.gz JJZOXISPWCCHOB-CKYFFXLPSA-N 0 3 309.341 2.208 20 5 DEBDHN COCC[C@@H](NC1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccco1 ZINC000877183565 690039587 /nfs/dbraw/zinc/03/95/87/690039587.db2.gz GVAVPOONMHHEHC-ORHYLEIMSA-N 0 3 320.349 2.455 20 5 DEBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC[C@H]2c2cn[nH]c2)cc1 ZINC000878876861 690518890 /nfs/dbraw/zinc/51/88/90/690518890.db2.gz WFCVFIIMFRCCBM-LSDHHAIUSA-N 0 3 302.334 2.188 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@](C)(C(F)(F)F)C1 ZINC000880004468 690778870 /nfs/dbraw/zinc/77/88/70/690778870.db2.gz LQDHDSSRTNWGML-NSHDSACASA-N 0 3 306.288 2.374 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@](C)(C(F)(F)F)C1 ZINC000880004467 690779294 /nfs/dbraw/zinc/77/92/94/690779294.db2.gz LQDHDSSRTNWGML-LLVKDONJSA-N 0 3 306.288 2.374 20 5 DEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000931495322 694412766 /nfs/dbraw/zinc/41/27/66/694412766.db2.gz ISCWIBBXKSNNGD-GXFFZTMASA-N 0 3 306.366 2.371 20 5 DEBDHN COC[C@H]1C[C@@H](NCc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000883317672 691480337 /nfs/dbraw/zinc/48/03/37/691480337.db2.gz QURJNCNBEUMEIO-KLPPZKSPSA-N 0 3 310.350 2.127 20 5 DEBDHN N[C@H](CC1CC1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000884377881 691723097 /nfs/dbraw/zinc/72/30/97/691723097.db2.gz YTEPRCJDFZAKPP-OAHLLOKOSA-N 0 3 303.362 2.213 20 5 DEBDHN O=[N+]([O-])c1ccc2c(cnn2CN2CC[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000884483279 691748525 /nfs/dbraw/zinc/74/85/25/691748525.db2.gz QRTRGQCEDCQIDM-WBMJQRKESA-N 0 3 316.361 2.403 20 5 DEBDHN COc1ccc(C(=O)NCCN2CCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000890081743 692859475 /nfs/dbraw/zinc/85/94/75/692859475.db2.gz MJTKWBMGARRGMH-UHFFFAOYSA-N 0 3 321.377 2.065 20 5 DEBDHN COc1c(O)ccc(CN[C@H](C)C2(OC)CCC2)c1[N+](=O)[O-] ZINC000894922820 692990677 /nfs/dbraw/zinc/99/06/77/692990677.db2.gz SAUXJCJOPBJZOQ-SNVBAGLBSA-N 0 3 310.350 2.356 20 5 DEBDHN COc1c([O-])ccc(C[NH2+][C@H](C)C2(OC)CCC2)c1[N+](=O)[O-] ZINC000894922820 692990681 /nfs/dbraw/zinc/99/06/81/692990681.db2.gz SAUXJCJOPBJZOQ-SNVBAGLBSA-N 0 3 310.350 2.356 20 5 DEBDHN Cc1ccc(OC(=O)C2CCCN(C3CC3)C2=O)c([N+](=O)[O-])c1 ZINC001343548828 1150752400 /nfs/dbraw/zinc/75/24/00/1150752400.db2.gz CTENDAYPOCNZGK-LBPRGKRZSA-N 0 3 318.329 2.210 20 5 DEBDHN Cc1c(CNC(=O)[C@H](N)C2CCCCC2)cccc1[N+](=O)[O-] ZINC001349421758 1151249379 /nfs/dbraw/zinc/24/93/79/1151249379.db2.gz YDAWAAWWYBYKBH-OAHLLOKOSA-N 0 3 305.378 2.427 20 5 DEBDHN C[C@H]1CN[C@@H](C)[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001358176919 1152369270 /nfs/dbraw/zinc/36/92/70/1152369270.db2.gz QXYBNCLGVZTXRV-GUBZILKMSA-N 0 3 311.769 2.459 20 5 DEBDHN NCc1nn(-c2nc(Cl)ccc2[N+](=O)[O-])c2ccccc12 ZINC001167697992 777890907 /nfs/dbraw/zinc/89/09/07/777890907.db2.gz REKIZSYSCDKNGR-UHFFFAOYSA-N 0 3 303.709 2.441 20 5 DEBDHN CN1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000168623441 780607881 /nfs/dbraw/zinc/60/78/81/780607881.db2.gz UHGSMYOHTLCGLL-NSHDSACASA-N 0 3 311.769 2.462 20 5 DEBDHN O=C([N-]c1c[nH+]ccc1Nc1ccccc1)c1c[nH]nc1[N+](=O)[O-] ZINC001144349244 790870460 /nfs/dbraw/zinc/87/04/60/790870460.db2.gz DGZHQLALDRSMSA-UHFFFAOYSA-N 0 3 324.300 2.131 20 5 DEBDHN NCc1ccnn1-c1cc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001155125421 784280098 /nfs/dbraw/zinc/28/00/98/784280098.db2.gz YLQZIBVOCBCUEY-UHFFFAOYSA-N 0 3 303.709 2.441 20 5 DEBDHN COc1ccc2c(c1)c(CN)nn2[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169003073 784999235 /nfs/dbraw/zinc/99/92/35/784999235.db2.gz NARFASYHYZTHCQ-GHMZBOCLSA-N 0 3 304.350 2.122 20 5 DEBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2CCN(Cc3cccc(F)c3)CC2)C1 ZINC001169023873 785018383 /nfs/dbraw/zinc/01/83/83/785018383.db2.gz GBGLLAAEOBRVJS-DOTOQJQBSA-N 0 3 321.396 2.389 20 5 DEBDHN COC(=O)c1cccc2c1CCN([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169048433 785021232 /nfs/dbraw/zinc/02/12/32/785021232.db2.gz UZJZQJJUVGCJEC-OCCSQVGLSA-N 0 3 318.373 2.277 20 5 DEBDHN COc1cc2c(cc1OC)CN([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169053100 785022876 /nfs/dbraw/zinc/02/28/76/785022876.db2.gz HLHHRLIVIOGRAW-RISCZKNCSA-N 0 3 306.362 2.465 20 5 DEBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1occc1Cl ZINC001133418944 788409669 /nfs/dbraw/zinc/40/96/69/788409669.db2.gz FQHKPEZIUOCLJU-UHFFFAOYSA-N 0 3 323.736 2.361 20 5 DEBDHN CCN(C)C(C)(C)C(=O)NCCNc1ccc([N+](=O)[O-])c(C)c1 ZINC001093952486 792658641 /nfs/dbraw/zinc/65/86/41/792658641.db2.gz GCDCJVKZMKAYQB-UHFFFAOYSA-N 0 3 322.409 2.162 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)n2cncc2CN)c1F ZINC001173176477 793619414 /nfs/dbraw/zinc/61/94/14/793619414.db2.gz JKFAPBDKNLKSRF-VIFPVBQESA-N 0 3 308.313 2.201 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)NCC2(F)COC2)c1F ZINC001173190173 793623193 /nfs/dbraw/zinc/62/31/93/793623193.db2.gz VBFJPHTWUOEKAP-VIFPVBQESA-N 0 3 316.304 2.002 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)NCC2(F)COC2)c1F ZINC001173190172 793623629 /nfs/dbraw/zinc/62/36/29/793623629.db2.gz VBFJPHTWUOEKAP-SECBINFHSA-N 0 3 316.304 2.002 20 5 DEBDHN COC(=O)C1CCN([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173222126 793637702 /nfs/dbraw/zinc/63/77/02/793637702.db2.gz PDIMTUBHFGNDGP-GFCCVEGCSA-N 0 3 306.362 2.411 20 5 DEBDHN CN1C[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC001178709024 794983145 /nfs/dbraw/zinc/98/31/45/794983145.db2.gz JRSAVHSUOGZZNB-AWEZNQCLSA-N 0 3 319.405 2.329 20 5 DEBDHN Cc1cc(NCC[C@@H](O)C2CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC001120070537 795401821 /nfs/dbraw/zinc/40/18/21/795401821.db2.gz ISHVLMMDZAFHKX-MRXNPFEDSA-N 0 3 301.346 2.446 20 5 DEBDHN O=C(/C=C\c1ccco1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001122734305 795799350 /nfs/dbraw/zinc/79/93/50/795799350.db2.gz HGCLACYKKQVRDV-SREVYHEPSA-N 0 3 315.329 2.107 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)C1(N(C)C)CCCC1 ZINC001137781753 796139254 /nfs/dbraw/zinc/13/92/54/796139254.db2.gz RNGIRCKKNNSUNN-UHFFFAOYSA-N 0 3 321.377 2.094 20 5 DEBDHN CCOCCCC(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001154964447 797649220 /nfs/dbraw/zinc/64/92/20/797649220.db2.gz UZRAFANCXMXXNY-UHFFFAOYSA-N 0 3 323.393 2.007 20 5 DEBDHN O=C(/C=C\C1CC1)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001156165998 797937359 /nfs/dbraw/zinc/93/73/59/797937359.db2.gz QQXJVGYTUPRAAZ-PLNGDYQASA-N 0 3 309.391 2.218 20 5 DEBDHN Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@H]3[C@H](C2)CCCN3C)n1 ZINC001157264315 798171882 /nfs/dbraw/zinc/17/18/82/798171882.db2.gz FCXDKAYKFBNIIB-JQWIXIFHSA-N 0 3 310.785 2.482 20 5 DEBDHN Cc1cc(N[C@@H](C)[C@@H]2CNCCO2)nc2ccc([N+](=O)[O-])cc12 ZINC001159494863 798571962 /nfs/dbraw/zinc/57/19/62/798571962.db2.gz APEWDDXEMOMTTO-NHYWBVRUSA-N 0 3 316.361 2.240 20 5 DEBDHN O=C(CCC(F)F)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001162637713 799135626 /nfs/dbraw/zinc/13/56/26/799135626.db2.gz UWTAWTPIBRIYAI-UHFFFAOYSA-N 0 3 321.349 2.298 20 5 DEBDHN CNc1cc([N+](=O)[O-])cnc1N[C@H]1CNCc2ccsc21 ZINC001163220344 799280732 /nfs/dbraw/zinc/28/07/32/799280732.db2.gz CLOSWCIDGBHTMZ-NSHDSACASA-N 0 3 305.363 2.349 20 5 DEBDHN CC(C)(C)OC(=O)CCNc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001163414428 799338366 /nfs/dbraw/zinc/33/83/66/799338366.db2.gz PENPCJFHXXCEKE-UHFFFAOYSA-N 0 3 307.350 2.342 20 5 DEBDHN O=[N+]([O-])c1ccc(OCCCN2CCC[C@@H]2C2OCCO2)cc1 ZINC000933894775 800207636 /nfs/dbraw/zinc/20/76/36/800207636.db2.gz LEEKTGXJSYEZGU-OAHLLOKOSA-N 0 3 322.361 2.201 20 5 DEBDHN CN(C)CCN(C)C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000934008580 800242614 /nfs/dbraw/zinc/24/26/14/800242614.db2.gz XLVDXLQVRPNEBP-UHFFFAOYSA-N 0 3 313.785 2.201 20 5 DEBDHN O=[N+]([O-])c1ccc(F)cc1CN[C@H]1CCOC12CCOCC2 ZINC000934409109 800344809 /nfs/dbraw/zinc/34/48/09/800344809.db2.gz UNBHFPQPRDCEQX-AWEZNQCLSA-N 0 3 310.325 2.162 20 5 DEBDHN CN1CC[C@H](Oc2ncnc3cc(Cl)c([N+](=O)[O-])cc32)C1 ZINC001227363313 803234083 /nfs/dbraw/zinc/23/40/83/803234083.db2.gz AVONGYKDMPWLEO-QMMMGPOBSA-N 0 3 308.725 2.274 20 5 DEBDHN COC(=O)c1cccc(O[C@@H]2CCN(C(C)C)C2)c1[N+](=O)[O-] ZINC001227894754 803292500 /nfs/dbraw/zinc/29/25/00/803292500.db2.gz OEMUALKWPNBOQQ-LLVKDONJSA-N 0 3 308.334 2.243 20 5 DEBDHN Cc1cc2nc(O[C@@H]3C[NH+]4CCC3CC4)[n-]c2cc1[N+](=O)[O-] ZINC001228676187 803392928 /nfs/dbraw/zinc/39/29/28/803392928.db2.gz WYCCVLPJPUEPJA-CQSZACIVSA-N 0 3 302.334 2.253 20 5 DEBDHN Cc1cc2[n-]c(O[C@@H]3C[NH+]4CCC3CC4)nc2cc1[N+](=O)[O-] ZINC001228676187 803392932 /nfs/dbraw/zinc/39/29/32/803392932.db2.gz WYCCVLPJPUEPJA-CQSZACIVSA-N 0 3 302.334 2.253 20 5 DEBDHN CO[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC001228758355 803407736 /nfs/dbraw/zinc/40/77/36/803407736.db2.gz DIDNSPPIFRSJEK-LLVKDONJSA-N 0 3 300.742 2.348 20 5 DEBDHN O=[N+]([O-])CCN(CCCOc1ccccc1)C1CCOCC1 ZINC001334076038 1150187775 /nfs/dbraw/zinc/18/77/75/1150187775.db2.gz IUCHKJCJKUXLGE-UHFFFAOYSA-N 0 3 308.378 2.213 20 5 DEBDHN CC(C)(C(=O)Nc1ncccc1CN)c1ccc([N+](=O)[O-])cc1 ZINC001575097369 1069366859 /nfs/dbraw/zinc/36/68/59/1069366859.db2.gz WJSILRYQTSRNEG-UHFFFAOYSA-N 0 3 314.345 2.365 20 5 DEBDHN CC[C@H]([NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-])[C@H](O)C(C)C ZINC001462347919 1058808750 /nfs/dbraw/zinc/80/87/50/1058808750.db2.gz LMFIFGLCSZJIJQ-SMDDNHRTSA-N 0 3 312.366 2.194 20 5 DEBDHN Cc1cc(N2CCN[C@@H](c3ccc(O)cc3)C2)ncc1[N+](=O)[O-] ZINC001640350781 1078655651 /nfs/dbraw/zinc/65/56/51/1078655651.db2.gz PDDIXJWPLCPJLT-CQSZACIVSA-N 0 3 314.345 2.155 20 5 DEBDHN Cc1cnc(N2CCN[C@@H](c3ccc(O)cc3)C2)c([N+](=O)[O-])c1 ZINC001640350239 1078655831 /nfs/dbraw/zinc/65/58/31/1078655831.db2.gz DTARPKPKJQVOKO-CQSZACIVSA-N 0 3 314.345 2.155 20 5 DEBDHN CN(CCO)CCN(C)c1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC001642932823 1078778514 /nfs/dbraw/zinc/77/85/14/1078778514.db2.gz WELYUDVLFFWNFK-UHFFFAOYSA-N 0 3 322.192 2.262 20 5 DEBDHN Cc1ccc(C(=O)N(C)CCNCc2cccc([N+](=O)[O-])c2)o1 ZINC001267344907 1078781824 /nfs/dbraw/zinc/78/18/24/1078781824.db2.gz XYJCEJSMOGNFQG-UHFFFAOYSA-N 0 3 317.345 2.358 20 5 DEBDHN C[C@H](CNC(=O)CN1CC[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC001558603165 1075101211 /nfs/dbraw/zinc/10/12/11/1075101211.db2.gz KQDHMQLVPCJUFT-CHWSQXEVSA-N 0 3 305.378 2.156 20 5 DEBDHN CC(C)[N@H+](Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C1CC1 ZINC001589695418 1076506398 /nfs/dbraw/zinc/50/63/98/1076506398.db2.gz PFYDGXRTVWKRMS-UHFFFAOYSA-N 0 3 302.338 2.148 20 5 DEBDHN CC(C)[N@@H+](Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C1CC1 ZINC001589695418 1076506405 /nfs/dbraw/zinc/50/64/05/1076506405.db2.gz PFYDGXRTVWKRMS-UHFFFAOYSA-N 0 3 302.338 2.148 20 5 DEBDHN CC(C)[N@@H+](Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])CC1CC1 ZINC001589695986 1076506937 /nfs/dbraw/zinc/50/69/37/1076506937.db2.gz ZPJFIFCQHGSDBX-UHFFFAOYSA-N 0 3 316.365 2.395 20 5 DEBDHN CC(C)[N@H+](Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])CC1CC1 ZINC001589695986 1076506941 /nfs/dbraw/zinc/50/69/41/1076506941.db2.gz ZPJFIFCQHGSDBX-UHFFFAOYSA-N 0 3 316.365 2.395 20 5 DEBDHN CC(C)[N@@H+](Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])CC1CC1 ZINC001589695986 1076506948 /nfs/dbraw/zinc/50/69/48/1076506948.db2.gz ZPJFIFCQHGSDBX-UHFFFAOYSA-N 0 3 316.365 2.395 20 5 DEBDHN CC(C)[N@H+](Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])CC1CC1 ZINC001589695986 1076506953 /nfs/dbraw/zinc/50/69/53/1076506953.db2.gz ZPJFIFCQHGSDBX-UHFFFAOYSA-N 0 3 316.365 2.395 20 5 DEBDHN CCC[NH+](CCC)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590623120 1076661570 /nfs/dbraw/zinc/66/15/70/1076661570.db2.gz XSVMVIQPOKPOLX-UHFFFAOYSA-N 0 3 304.354 2.397 20 5 DEBDHN CCC[NH+](CCC)Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590623120 1076661572 /nfs/dbraw/zinc/66/15/72/1076661572.db2.gz XSVMVIQPOKPOLX-UHFFFAOYSA-N 0 3 304.354 2.397 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCN(C2CC2)C1 ZINC001649175442 1091799282 /nfs/dbraw/zinc/79/92/82/1091799282.db2.gz GUVQJMKRCGIILM-CYBMUJFWSA-N 0 3 305.378 2.320 20 5 DEBDHN CC1(C)CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1(C)C ZINC001320887519 1140970861 /nfs/dbraw/zinc/97/08/61/1140970861.db2.gz DZGAWFJKCMXQJV-GFCCVEGCSA-N 0 3 308.378 2.455 20 5 DEBDHN CN1CCCC[C@@H]1CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001337533045 1142765632 /nfs/dbraw/zinc/76/56/32/1142765632.db2.gz AKSRFMPCDZOFDS-LLVKDONJSA-N 0 3 316.361 2.290 20 5 DEBDHN CCc1ccc(C(=O)NC[C@H]2CCCCN2C)cc1[N+](=O)[O-] ZINC001337534797 1142766160 /nfs/dbraw/zinc/76/61/60/1142766160.db2.gz JLXCARCFFBPYLD-CQSZACIVSA-N 0 3 305.378 2.371 20 5 DEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC2(COC(=O)N2)CC1 ZINC001254565867 1143251291 /nfs/dbraw/zinc/25/12/91/1143251291.db2.gz QLPXYJMJDYMPKE-LBPRGKRZSA-N 0 3 319.361 2.100 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CCN3CCCC[C@H]3C1)C2 ZINC001254600777 1143274271 /nfs/dbraw/zinc/27/42/71/1143274271.db2.gz RLZCUCVMHZYYNN-DLBZAZTESA-N 0 3 301.390 2.232 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CCN3CCCC[C@@H]3C1)C2 ZINC001254600778 1143274816 /nfs/dbraw/zinc/27/48/16/1143274816.db2.gz RLZCUCVMHZYYNN-IAGOWNOFSA-N 0 3 301.390 2.232 20 5 DEBDHN C[C@@H]1CN[C@@H](C)[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001342630967 1143827541 /nfs/dbraw/zinc/82/75/41/1143827541.db2.gz WSJLBADFPDZHOY-UTLUCORTSA-N 0 3 311.769 2.459 20 5 DEBDHN COc1cc(N2CCC(N[C@@H]3C[C@H]3F)CC2)ccc1[N+](=O)[O-] ZINC001256087428 1143829569 /nfs/dbraw/zinc/82/95/69/1143829569.db2.gz AENPZKLEJVVNKX-CHWSQXEVSA-N 0 3 309.341 2.272 20 5 DEBDHN CCN1C[C@@H](NC(=O)c2ccc(C)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC001304040943 1147343629 /nfs/dbraw/zinc/34/36/29/1147343629.db2.gz CYFANBUWMGPXNF-CQSZACIVSA-N 0 3 305.378 2.363 20 5 DEBDHN C[C@]1(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CCCCN1 ZINC000423837960 230559006 /nfs/dbraw/zinc/55/90/06/230559006.db2.gz HAXRQDOAHNINLS-CQSZACIVSA-N 0 3 311.769 2.397 20 5 DEBDHN CCOc1ccc(CNCCn2cc([N+](=O)[O-])cn2)cc1F ZINC000278474338 214176831 /nfs/dbraw/zinc/17/68/31/214176831.db2.gz JUUSHAMWGXITQD-UHFFFAOYSA-N 0 3 308.313 2.119 20 5 DEBDHN C[C@H]1CN(C2CCOCC2)CCN1c1ccc([N+](=O)[O-])cc1F ZINC000278754047 214376652 /nfs/dbraw/zinc/37/66/52/214376652.db2.gz MXLMUCAENPXNEK-LBPRGKRZSA-N 0 3 323.368 2.423 20 5 DEBDHN O=[N+]([O-])c1ccc(CNC2CCN(c3cccnn3)CC2)cc1 ZINC000277772059 213755838 /nfs/dbraw/zinc/75/58/38/213755838.db2.gz YFJWXFOMDDMKGO-UHFFFAOYSA-N 0 3 313.361 2.143 20 5 DEBDHN C[C@H](O)C[C@@H]1CCCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000279715515 215085223 /nfs/dbraw/zinc/08/52/23/215085223.db2.gz IKABFJWPMUDEKZ-DUVNUKRYSA-N 0 3 308.378 2.254 20 5 DEBDHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000287167798 219356001 /nfs/dbraw/zinc/35/60/01/219356001.db2.gz OBAMLUMPDUZKGC-ZYHUDNBSSA-N 0 3 309.391 2.355 20 5 DEBDHN CN(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C1CCN(C)CC1 ZINC000171535085 186171266 /nfs/dbraw/zinc/17/12/66/186171266.db2.gz SLGDSEKDABKHPF-UHFFFAOYSA-N 0 3 316.361 2.242 20 5 DEBDHN CS[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2C)C[C@@H]1N(C)C ZINC000270457723 186395547 /nfs/dbraw/zinc/39/55/47/186395547.db2.gz KFQUCDZZPOMSDD-UONOGXRCSA-N 0 3 323.418 2.021 20 5 DEBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1c1nc2sccn2c1[N+](=O)[O-] ZINC000286463233 282755194 /nfs/dbraw/zinc/75/51/94/282755194.db2.gz VDOGLFVOBHESNF-GHMZBOCLSA-N 0 3 321.406 2.367 20 5 DEBDHN COc1ccc(OCCN2CCCC[C@H]2[C@H](C)O)c([N+](=O)[O-])c1 ZINC000173710716 198243119 /nfs/dbraw/zinc/24/31/19/198243119.db2.gz BWTKQCSLZMRQPH-JSGCOSHPSA-N 0 3 324.377 2.218 20 5 DEBDHN COc1ccc(OCCN2CCCC[C@H]2[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000173710733 198243575 /nfs/dbraw/zinc/24/35/75/198243575.db2.gz BWTKQCSLZMRQPH-OCCSQVGLSA-N 0 3 324.377 2.218 20 5 DEBDHN COc1ccc(CNCCC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000174431903 198334630 /nfs/dbraw/zinc/33/46/30/198334630.db2.gz TULSROQNRRPWLT-UHFFFAOYSA-N 0 3 310.350 2.425 20 5 DEBDHN Cc1n[nH]c([C@@H]2CCN(Cc3ccc(F)cc3[N+](=O)[O-])C2)n1 ZINC000595551872 358481377 /nfs/dbraw/zinc/48/13/77/358481377.db2.gz ZJJFQGGRJUGQFX-LLVKDONJSA-N 0 3 305.313 2.150 20 5 DEBDHN Cc1nc([C@@H]2CCN(Cc3ccc(F)cc3[N+](=O)[O-])C2)n[nH]1 ZINC000595551872 358481380 /nfs/dbraw/zinc/48/13/80/358481380.db2.gz ZJJFQGGRJUGQFX-LLVKDONJSA-N 0 3 305.313 2.150 20 5 DEBDHN Cc1nnc([C@@H]2CCN(Cc3ccc(F)cc3[N+](=O)[O-])C2)[nH]1 ZINC000595551872 358481383 /nfs/dbraw/zinc/48/13/83/358481383.db2.gz ZJJFQGGRJUGQFX-LLVKDONJSA-N 0 3 305.313 2.150 20 5 DEBDHN CNC(=O)c1ccc(NCCN2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000053562630 354439225 /nfs/dbraw/zinc/43/92/25/354439225.db2.gz RLXXNJJQVHQFPG-LBPRGKRZSA-N 0 3 320.393 2.098 20 5 DEBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC2CCN(C)CC2)c1 ZINC000054461434 354463540 /nfs/dbraw/zinc/46/35/40/354463540.db2.gz MDQROLJAFQUOPU-UHFFFAOYSA-N 0 3 309.391 2.141 20 5 DEBDHN Cc1c(CN2CCC[C@@]3(CNC(=O)C3)C2)cccc1[N+](=O)[O-] ZINC000072832582 354923552 /nfs/dbraw/zinc/92/35/52/354923552.db2.gz CAIJEMNINXGTMS-MRXNPFEDSA-N 0 3 303.362 2.005 20 5 DEBDHN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC[C@@H]1CN1CCCCC1 ZINC000075506193 355089525 /nfs/dbraw/zinc/08/95/25/355089525.db2.gz XAQSFOUNQJSHCF-GFCCVEGCSA-N 0 3 306.366 2.013 20 5 DEBDHN O=[N+]([O-])c1cc(F)ccc1N1CCC(CN2CCOCC2)CC1 ZINC000076805182 355168662 /nfs/dbraw/zinc/16/86/62/355168662.db2.gz GWDDJDVWKXFOLG-UHFFFAOYSA-N 0 3 323.368 2.283 20 5 DEBDHN CN(C)CCN(C)c1ccc([N+](=O)[O-])cc1Br ZINC000080685079 355380646 /nfs/dbraw/zinc/38/06/46/355380646.db2.gz BHBMQYIYAJNBBI-UHFFFAOYSA-N 0 3 302.172 2.355 20 5 DEBDHN Cn1ncc2c1CCC[C@@H]2NCCOc1ccc([N+](=O)[O-])cc1 ZINC000089580534 355536332 /nfs/dbraw/zinc/53/63/32/355536332.db2.gz XAKOMYVKFVNJRF-HNNXBMFYSA-N 0 3 316.361 2.374 20 5 DEBDHN C[C@@H](NCCn1cnnc1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000090034117 355552407 /nfs/dbraw/zinc/55/24/07/355552407.db2.gz FNJLZLUJNXEGIO-LLVKDONJSA-N 0 3 301.350 2.415 20 5 DEBDHN Cc1ccc([C@@H](C)NC[C@H](O)C2CCOCC2)cc1[N+](=O)[O-] ZINC000090053901 355553523 /nfs/dbraw/zinc/55/35/23/355553523.db2.gz VNJFZVVTCDRWRB-WBMJQRKESA-N 0 3 308.378 2.341 20 5 DEBDHN C[C@@H](CCN1CCOCC1)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000090048077 355553572 /nfs/dbraw/zinc/55/35/72/355553572.db2.gz VODXKGIQJBNQJA-KBPBESRZSA-N 0 3 307.394 2.356 20 5 DEBDHN C[C@H](O)CCN(C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000093481102 355683718 /nfs/dbraw/zinc/68/37/18/355683718.db2.gz BBZYGUAAWPGWTE-LBPRGKRZSA-N 0 3 318.377 2.198 20 5 DEBDHN O=[N+]([O-])c1ccc(CN2CCN(c3ccncc3)CC2)c(F)c1 ZINC000151342902 355926106 /nfs/dbraw/zinc/92/61/06/355926106.db2.gz UCIWTFAPNJQICR-UHFFFAOYSA-N 0 3 316.336 2.451 20 5 DEBDHN COC1CCN(CCN[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000163618584 355972900 /nfs/dbraw/zinc/97/29/00/355972900.db2.gz JQYAEJMGTRBWCK-CYBMUJFWSA-N 0 3 307.394 2.356 20 5 DEBDHN C[C@@H]1[C@@H](C)N(c2ncnc3sc([N+](=O)[O-])cc32)CCN1C ZINC000588011379 357388066 /nfs/dbraw/zinc/38/80/66/357388066.db2.gz CTSSVNXNAMKWIU-RKDXNWHRSA-N 0 3 307.379 2.128 20 5 DEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[C@@H](CC(N)=O)C1 ZINC000589209774 357455058 /nfs/dbraw/zinc/45/50/58/357455058.db2.gz SWASMQBQRNQDIM-GMMCIKNFSA-N 0 3 303.362 2.195 20 5 DEBDHN C[C@@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)C[C@H](C)N1C ZINC000590146284 357522405 /nfs/dbraw/zinc/52/24/05/357522405.db2.gz LMVOLJUIXWNHEM-PHIMTYICSA-N 0 3 301.350 2.067 20 5 DEBDHN Cc1occc1CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591727897 357754037 /nfs/dbraw/zinc/75/40/37/357754037.db2.gz FWNZOHDJWBKFDK-CQSZACIVSA-N 0 3 306.318 2.026 20 5 DEBDHN COC(=O)N1CCC(CNCc2ccccc2[N+](=O)[O-])CC1 ZINC000495817584 283329739 /nfs/dbraw/zinc/32/97/39/283329739.db2.gz OEWKPHCFYYEZKT-UHFFFAOYSA-N 0 3 307.350 2.163 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCC[C@]1(O)CCCOC1)CCC2 ZINC000593720944 358130452 /nfs/dbraw/zinc/13/04/52/358130452.db2.gz NHSWYEMNXKADBO-DLBZAZTESA-N 0 3 320.389 2.493 20 5 DEBDHN CC(C)(O)CN(CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000180245691 199136077 /nfs/dbraw/zinc/13/60/77/199136077.db2.gz ZTAVNUVSYDPHRU-UHFFFAOYSA-N 0 3 318.377 2.064 20 5 DEBDHN CCc1nn(C)c(N[C@H]2CCCN3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594598675 358301831 /nfs/dbraw/zinc/30/18/31/358301831.db2.gz HFPFRROYYXKMMF-STQMWFEESA-N 0 3 307.398 2.320 20 5 DEBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCCOC[C@H]1CCOC1 ZINC000594495598 358283585 /nfs/dbraw/zinc/28/35/85/358283585.db2.gz QRHKVPFQHWBKHR-WFASDCNBSA-N 0 3 306.362 2.225 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@]1(OC)CCOC1 ZINC000595034276 358380907 /nfs/dbraw/zinc/38/09/07/358380907.db2.gz UGBGGYKYDASISN-ABAIWWIYSA-N 0 3 310.350 2.060 20 5 DEBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@H]([C@@H]3CCCCO3)C2)n1 ZINC000595786435 358549291 /nfs/dbraw/zinc/54/92/91/358549291.db2.gz AGMGIJKCUNDCKO-KBPBESRZSA-N 0 3 308.382 2.072 20 5 DEBDHN NC(=O)c1cc(N[C@@H]2CCCN3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000596298138 358663199 /nfs/dbraw/zinc/66/31/99/358663199.db2.gz URKRFZJUIGWXCX-HIFRSBDPSA-N 0 3 318.377 2.123 20 5 DEBDHN COC(=O)c1cnc(N[C@H]2CCN(C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000596337151 358669704 /nfs/dbraw/zinc/66/97/04/358669704.db2.gz VAPFUEFWYYBCCQ-NSHDSACASA-N 0 3 322.365 2.061 20 5 DEBDHN CCCN1CC[C@H](NC(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000596830867 358770768 /nfs/dbraw/zinc/77/07/68/358770768.db2.gz DVBIJQIQMFVTKG-LBPRGKRZSA-N 0 3 322.365 2.209 20 5 DEBDHN CNc1c(C(=O)N[C@@H]2CCN(C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000597923241 359042439 /nfs/dbraw/zinc/04/24/39/359042439.db2.gz NPMYPNVCDNCYSC-LLVKDONJSA-N 0 3 320.393 2.239 20 5 DEBDHN CC(C)(C)N1CC[C@@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000597925934 359044373 /nfs/dbraw/zinc/04/43/73/359044373.db2.gz YQHRDODYFQPXGS-CYBMUJFWSA-N 0 3 323.368 2.265 20 5 DEBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000598262427 359140510 /nfs/dbraw/zinc/14/05/10/359140510.db2.gz KCIIPHCKPSOBDI-LBPRGKRZSA-N 0 3 320.393 2.027 20 5 DEBDHN CCCN1CC[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000598341783 359168915 /nfs/dbraw/zinc/16/89/15/359168915.db2.gz GCQRQCCBVQPQKW-LBPRGKRZSA-N 0 3 311.769 2.462 20 5 DEBDHN CCCN1CC[C@@H](NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000598342025 359169446 /nfs/dbraw/zinc/16/94/46/359169446.db2.gz JYKUGFXAXUEJAX-VXGBXAGGSA-N 0 3 323.368 2.438 20 5 DEBDHN CCN(C(=O)Cc1cccc([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000599986194 359629711 /nfs/dbraw/zinc/62/97/11/359629711.db2.gz QIYIZEXFSSYXKU-UHFFFAOYSA-N 0 3 305.378 2.080 20 5 DEBDHN C[C@@H]1COCCN1CCNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429247227 237362071 /nfs/dbraw/zinc/36/20/71/237362071.db2.gz VKCPAWFYQRPOQR-CYBMUJFWSA-N 0 3 307.394 2.140 20 5 DEBDHN O=[N+]([O-])c1ccc(NCCN2CCCOCC2)c2ccncc21 ZINC000188495384 200255886 /nfs/dbraw/zinc/25/58/86/200255886.db2.gz HORNCUUPIXVUKU-UHFFFAOYSA-N 0 3 316.361 2.277 20 5 DEBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@@H]2CC[C@H](O)C2)c1 ZINC000188846158 200311742 /nfs/dbraw/zinc/31/17/42/200311742.db2.gz UQWWTSPCDYNKCT-SKDRFNHKSA-N 0 3 316.304 2.447 20 5 DEBDHN CN1CCC(n2cc(Nc3ccc([N+](=O)[O-])nc3)cn2)CC1 ZINC000601227861 359973492 /nfs/dbraw/zinc/97/34/92/359973492.db2.gz XRECGXQAIZESSA-UHFFFAOYSA-N 0 3 302.338 2.197 20 5 DEBDHN CC(C)N1CCC[C@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601454325 360045361 /nfs/dbraw/zinc/04/53/61/360045361.db2.gz YZSMOYRTEXLENU-NSHDSACASA-N 0 3 309.341 2.337 20 5 DEBDHN O=[N+]([O-])c1sc(CNCC2(O)CCC2)cc1Br ZINC000602551969 360429648 /nfs/dbraw/zinc/42/96/48/360429648.db2.gz QBEIWTKKFGENJW-UHFFFAOYSA-N 0 3 321.196 2.423 20 5 DEBDHN COc1cccc(C2(NCCn3c(C)ncc3[N+](=O)[O-])CC2)c1 ZINC000602808769 360566108 /nfs/dbraw/zinc/56/61/08/360566108.db2.gz ZEPYOPLGTDWGAA-UHFFFAOYSA-N 0 3 316.361 2.387 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](OCCC(C)C)C1 ZINC000602905909 360619144 /nfs/dbraw/zinc/61/91/44/360619144.db2.gz HHENYUFVVSJCJF-CQSZACIVSA-N 0 3 310.398 2.237 20 5 DEBDHN O=[N+]([O-])c1c(NC[C@H]2CSCCN2)ccc2ncccc21 ZINC000603419762 360827081 /nfs/dbraw/zinc/82/70/81/360827081.db2.gz PXUNEYNILOMDIZ-JTQLQIEISA-N 0 3 304.375 2.260 20 5 DEBDHN CC[C@@H](CN1CCCC1)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000609851106 361344597 /nfs/dbraw/zinc/34/45/97/361344597.db2.gz AUWCUPSUYRXYAS-NSHDSACASA-N 0 3 309.341 2.338 20 5 DEBDHN CC(C)N1CCC(NC(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000193615061 201088242 /nfs/dbraw/zinc/08/82/42/201088242.db2.gz DMZABVUSHQAGAV-UHFFFAOYSA-N 0 3 309.341 2.337 20 5 DEBDHN Cc1ccc([C@@H](C)NCCn2ccccc2=O)cc1[N+](=O)[O-] ZINC000610805230 361470070 /nfs/dbraw/zinc/47/00/70/361470070.db2.gz CIGZTGNGQOXPNE-CYBMUJFWSA-N 0 3 301.346 2.416 20 5 DEBDHN C[C@@H]1CN(c2ccsc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000611204573 361547621 /nfs/dbraw/zinc/54/76/21/361547621.db2.gz ZOCPBKSLWVCJIM-OLZOCXBDSA-N 0 3 324.450 2.119 20 5 DEBDHN O=[N+]([O-])c1cc(CNC2(CO)CCCCC2)c2c(c1)COCO2 ZINC000611461723 361602922 /nfs/dbraw/zinc/60/29/22/361602922.db2.gz UJXPSTFDLOCNHF-UHFFFAOYSA-N 0 3 322.361 2.246 20 5 DEBDHN CC[C@H](N[C@@H](C)[C@@H]1CN(C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000611336950 361581884 /nfs/dbraw/zinc/58/18/84/361581884.db2.gz QLABYKHLPLYZCS-RCBQFDQVSA-N 0 3 307.394 2.355 20 5 DEBDHN CC[C@H](NCCc1nncn1CC)c1cccc([N+](=O)[O-])c1 ZINC000611336052 361581975 /nfs/dbraw/zinc/58/19/75/361581975.db2.gz YQUVGOXIEPZYJS-AWEZNQCLSA-N 0 3 303.366 2.490 20 5 DEBDHN Cc1cc([C@H](C)NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c(C)s1 ZINC000194561366 201253428 /nfs/dbraw/zinc/25/34/28/201253428.db2.gz VNECJZXTGYREOI-GWCFXTLKSA-N 0 3 324.406 2.181 20 5 DEBDHN CCN1C[C@H](C)N(c2ncnc3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000611712431 361664472 /nfs/dbraw/zinc/66/44/72/361664472.db2.gz LCPYMVCEGIMZOI-RYUDHWBXSA-N 0 3 315.377 2.457 20 5 DEBDHN CN(C(=O)C1CCN(C2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000195318200 201379291 /nfs/dbraw/zinc/37/92/91/201379291.db2.gz LCJGGAOQKOOGCT-UHFFFAOYSA-N 0 3 303.362 2.432 20 5 DEBDHN Cn1ncc(CCCNCc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000292965108 223328990 /nfs/dbraw/zinc/32/89/90/223328990.db2.gz LUTHCBBTRKODAH-UHFFFAOYSA-N 0 3 309.757 2.099 20 5 DEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCC(=O)NCc1ccco1 ZINC000449075417 240024222 /nfs/dbraw/zinc/02/42/22/240024222.db2.gz QXEZUZGKNIDIRJ-LBPRGKRZSA-N 0 3 317.345 2.025 20 5 DEBDHN CCn1cccc(CN[C@H](C)Cc2ccccc2[N+](=O)[O-])c1=O ZINC000449291263 240319526 /nfs/dbraw/zinc/31/95/26/240319526.db2.gz KDQJJTPXAYYQOT-CYBMUJFWSA-N 0 3 315.373 2.497 20 5 DEBDHN O=[N+]([O-])c1cccc(OCCN2CC[C@@H]3C[C@H](O)CC[C@H]3C2)c1 ZINC000451716992 243347346 /nfs/dbraw/zinc/34/73/46/243347346.db2.gz VGMVNMKOOSZLAN-IJEWVQPXSA-N 0 3 320.389 2.457 20 5 DEBDHN CCN1CCCC[C@@H]1CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000264666350 204065904 /nfs/dbraw/zinc/06/59/04/204065904.db2.gz ILKJNNJZIRBBLY-CYBMUJFWSA-N 0 3 321.377 2.208 20 5 DEBDHN CC[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000271691261 209130199 /nfs/dbraw/zinc/13/01/99/209130199.db2.gz QVOSZVSZCRSIFK-OAHLLOKOSA-N 0 3 301.346 2.497 20 5 DEBDHN CCN1CCC(NC(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000160401817 197407230 /nfs/dbraw/zinc/40/72/30/197407230.db2.gz SAMQNBUDHVPHLP-UHFFFAOYSA-N 0 3 311.769 2.462 20 5 DEBDHN CN(CCN(C)C1CC1)C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000492651858 249108833 /nfs/dbraw/zinc/10/88/33/249108833.db2.gz SHQVTKPRTVRMEM-YFHOEESVSA-N 0 3 303.362 2.161 20 5 DEBDHN CN(C)[C@H]1CCCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000106363883 194201028 /nfs/dbraw/zinc/20/10/28/194201028.db2.gz GJWCRAWEMYANIV-LBPRGKRZSA-N 0 3 316.361 2.242 20 5 DEBDHN Cc1c([C@H](C)NC[C@H](O)c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000268854820 207021293 /nfs/dbraw/zinc/02/12/93/207021293.db2.gz CSUQSXLLDQMBOL-NHYWBVRUSA-N 0 3 304.350 2.021 20 5 DEBDHN O=[N+]([O-])c1ccccc1C[C@@H](NC[C@@H](O)C(F)(F)F)C1CC1 ZINC000268889719 207058504 /nfs/dbraw/zinc/05/85/04/207058504.db2.gz ZTKUVSWVFYINDD-DGCLKSJQSA-N 0 3 318.295 2.429 20 5 DEBDHN Cc1ccc([C@H](C)NC[C@H](O)c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000268926069 207093917 /nfs/dbraw/zinc/09/39/17/207093917.db2.gz WFXLKSOGRMGUCU-NHYWBVRUSA-N 0 3 304.350 2.021 20 5 DEBDHN COc1cc(CNCCN2CC[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000538604023 285041601 /nfs/dbraw/zinc/04/16/01/285041601.db2.gz HKOGBFFKFWZKRV-LBPRGKRZSA-N 0 3 323.393 2.043 20 5 DEBDHN COc1cc(CNCCN2CC[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000538604021 285041637 /nfs/dbraw/zinc/04/16/37/285041637.db2.gz HKOGBFFKFWZKRV-GFCCVEGCSA-N 0 3 323.393 2.043 20 5 DEBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC(C)(C)CN(C)C)c1 ZINC000411103672 533009406 /nfs/dbraw/zinc/00/94/06/533009406.db2.gz VUQHKFYDYGPQML-UHFFFAOYSA-N 0 3 311.407 2.387 20 5 DEBDHN COCC1(N[C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000540749780 285126180 /nfs/dbraw/zinc/12/61/80/285126180.db2.gz OHBBLXAQQCNWOQ-LLVKDONJSA-N 0 3 307.350 2.081 20 5 DEBDHN O=[N+]([O-])c1cccnc1N1CCN(C[C@H]2CC=CCC2)CC1 ZINC000295948374 285166456 /nfs/dbraw/zinc/16/64/56/285166456.db2.gz HEFQFSQFHHVGJR-AWEZNQCLSA-N 0 3 302.378 2.468 20 5 DEBDHN C[C@@H](C(=O)NC[C@H](C)N1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000541774728 285185061 /nfs/dbraw/zinc/18/50/61/285185061.db2.gz LPQYAXBKYOQIAQ-NWDGAFQWSA-N 0 3 323.368 2.438 20 5 DEBDHN Cc1c([C@H](C)N[C@@H](C)CN2CCOCC2)cccc1[N+](=O)[O-] ZINC000156783839 197140635 /nfs/dbraw/zinc/14/06/35/197140635.db2.gz UODWBMYFGASHMJ-JSGCOSHPSA-N 0 3 307.394 2.275 20 5 DEBDHN COC[C@H](N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000542526335 285231602 /nfs/dbraw/zinc/23/16/02/285231602.db2.gz VWCPRSIWFKRLMR-RISCZKNCSA-N 0 3 309.366 2.182 20 5 DEBDHN C[C@H](NC(=O)N1C[C@@H](C)NC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000418229272 533614620 /nfs/dbraw/zinc/61/46/20/533614620.db2.gz GQDZCYNPIKYZBT-UTUOFQBUSA-N 0 3 306.366 2.048 20 5 DEBDHN C[C@H](NC(=O)N1C[C@H](C)NC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000418229271 533617917 /nfs/dbraw/zinc/61/79/17/533617917.db2.gz GQDZCYNPIKYZBT-TUAOUCFPSA-N 0 3 306.366 2.048 20 5 DEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCC1(S(C)(=O)=O)CC1 ZINC000355416851 133025535 /nfs/dbraw/zinc/02/55/35/133025535.db2.gz BICGUICDYJTVIK-WQLSENKSSA-N 0 3 324.402 2.165 20 5 DEBDHN COC(=O)COc1ccc(CN(C)C2CCC2)cc1[N+](=O)[O-] ZINC000355744235 133045386 /nfs/dbraw/zinc/04/53/86/133045386.db2.gz KPHRNTMOHKKGPU-UHFFFAOYSA-N 0 3 308.334 2.131 20 5 DEBDHN C[C@@H](CCN1CCOCC1)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000358148540 133124452 /nfs/dbraw/zinc/12/44/52/133124452.db2.gz GBRKQJLIWOKAGK-KBPBESRZSA-N 0 3 307.394 2.356 20 5 DEBDHN O=[N+]([O-])c1ccc(CN[C@@H](CO)C2CCOCC2)c(Cl)c1 ZINC000359863915 133149558 /nfs/dbraw/zinc/14/95/58/133149558.db2.gz YGCLEWSRZCENFU-AWEZNQCLSA-N 0 3 314.769 2.125 20 5 DEBDHN C[C@H](N[C@H]1CCO[C@H]1C1CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000377274303 133324835 /nfs/dbraw/zinc/32/48/35/133324835.db2.gz XUZVDNWMUJCARO-XEGUGMAKSA-N 0 3 319.361 2.079 20 5 DEBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCC[C@@H]1O ZINC000181423966 144905433 /nfs/dbraw/zinc/90/54/33/144905433.db2.gz YXKCIEYGKXSXAC-CJNGLKHVSA-N 0 3 308.378 2.457 20 5 DEBDHN C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)N1CCC[C@H](C)C1 ZINC000246465241 145103273 /nfs/dbraw/zinc/10/32/73/145103273.db2.gz NOHGMSHGURSQBO-NWDGAFQWSA-N 0 3 320.393 2.027 20 5 DEBDHN C[C@H](CN(C)C)NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000346132853 146020459 /nfs/dbraw/zinc/02/04/59/146020459.db2.gz IXERCYRAPNMBJO-GHMZBOCLSA-N 0 3 311.407 2.142 20 5 DEBDHN C[C@@H](C(=O)NCC1=CCN(C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000348016973 146212868 /nfs/dbraw/zinc/21/28/68/146212868.db2.gz MWTXMEXQJGFQCO-LLVKDONJSA-N 0 3 321.352 2.216 20 5 DEBDHN Cc1c(CNC(=O)N2CCN(C)CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000359544189 147348319 /nfs/dbraw/zinc/34/83/19/147348319.db2.gz FHBBCOBESIHVGW-GFCCVEGCSA-N 0 3 320.393 2.139 20 5 DEBDHN Cc1ccc(C(=O)N2CC[C@@H]3CC[C@H](C2)N3C)cc1[N+](=O)[O-] ZINC000073986972 401726349 /nfs/dbraw/zinc/72/63/49/401726349.db2.gz ZCQAGMLXVIHJJQ-UONOGXRCSA-N 0 3 303.362 2.212 20 5 DEBDHN CCN1CCC(N(C)C(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000127794340 401750416 /nfs/dbraw/zinc/75/04/16/401750416.db2.gz RKTZDWOUAIPNHN-UHFFFAOYSA-N 0 3 305.378 2.460 20 5 DEBDHN COCCOC[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000075953227 401774675 /nfs/dbraw/zinc/77/46/75/401774675.db2.gz KTYJJELFIPBLHS-CQSZACIVSA-N 0 3 308.378 2.388 20 5 DEBDHN Cc1cc(C(=O)N(C)C[C@@H]2CCCN(C)C2)cc([N+](=O)[O-])c1 ZINC000115433489 401827787 /nfs/dbraw/zinc/82/77/87/401827787.db2.gz PRXAOXPGFSFZEG-CYBMUJFWSA-N 0 3 305.378 2.317 20 5 DEBDHN CCN(CCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000078504355 401854035 /nfs/dbraw/zinc/85/40/35/401854035.db2.gz HPGAYXNHIMGWNR-BJMVGYQFSA-N 0 3 303.362 2.209 20 5 DEBDHN O=[N+]([O-])c1cccc(OCCN2CCN(CC3CC3)CC2)c1 ZINC000052165496 402040285 /nfs/dbraw/zinc/04/02/85/402040285.db2.gz XAQAFSKLQOOANU-UHFFFAOYSA-N 0 3 305.378 2.001 20 5 DEBDHN CN(C)CCN(C(=O)Cc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000053152736 402051611 /nfs/dbraw/zinc/05/16/11/402051611.db2.gz ONMDOLQSVGYVQT-UHFFFAOYSA-N 0 3 319.405 2.470 20 5 DEBDHN CCC(CC)N(CCOC)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000064806862 402121974 /nfs/dbraw/zinc/12/19/74/402121974.db2.gz CJKFHTGYSVIKQT-UHFFFAOYSA-N 0 3 323.393 2.331 20 5 DEBDHN CN(C)CCN(C(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1 ZINC000069139777 402214229 /nfs/dbraw/zinc/21/42/29/402214229.db2.gz JIUTXWBYSASLJM-UHFFFAOYSA-N 0 3 303.318 2.396 20 5 DEBDHN CC[C@@H](N[C@@H](C)CN1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000155063318 402243548 /nfs/dbraw/zinc/24/35/48/402243548.db2.gz HECCWZXBZDTXTK-WMLDXEAASA-N 0 3 320.437 2.271 20 5 DEBDHN CN1CCC[C@H](CNC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000108328238 402249392 /nfs/dbraw/zinc/24/93/92/402249392.db2.gz MOGHUMGQIBDEIV-HOSRBBHYSA-N 0 3 321.352 2.205 20 5 DEBDHN CN1CCC[C@@H](CNC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000108328242 402249870 /nfs/dbraw/zinc/24/98/70/402249870.db2.gz MOGHUMGQIBDEIV-PZBABLGHSA-N 0 3 321.352 2.205 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCCN(C)C1 ZINC000108494635 402254825 /nfs/dbraw/zinc/25/48/25/402254825.db2.gz JJTPDQFNBXWBRC-LBPRGKRZSA-N 0 3 306.366 2.367 20 5 DEBDHN C[C@@H]1C[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000177639809 402422824 /nfs/dbraw/zinc/42/28/24/402422824.db2.gz HPUDGQKIFYRRNU-ZYHUDNBSSA-N 0 3 304.350 2.342 20 5 DEBDHN CCO[C@H]1C[C@](CO)(NCc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000186588482 402445094 /nfs/dbraw/zinc/44/50/94/402445094.db2.gz PMWRBABSJSKLIK-GOEBONIOSA-N 0 3 308.378 2.251 20 5 DEBDHN CC(C)(C)[C@H](N)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000163324700 402447059 /nfs/dbraw/zinc/44/70/59/402447059.db2.gz OTABXHCNOPYUQA-CQSZACIVSA-N 0 3 307.394 2.407 20 5 DEBDHN COCCCN1CCC(Nc2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000178207958 402471225 /nfs/dbraw/zinc/47/12/25/402471225.db2.gz QPCUOBHRQVSVAO-UHFFFAOYSA-N 0 3 308.382 2.211 20 5 DEBDHN CCN(CCNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000171160999 402562405 /nfs/dbraw/zinc/56/24/05/402562405.db2.gz AIHBEEJVOAMZTF-LBPRGKRZSA-N 0 3 320.393 2.439 20 5 DEBDHN CC[C@@H](NCCN1CCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000178767952 402537017 /nfs/dbraw/zinc/53/70/17/402537017.db2.gz QBHRVTIBXQTNBI-CZUORRHYSA-N 0 3 307.394 2.356 20 5 DEBDHN C[C@H](NC(=O)NC[C@@H]1CCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000171755313 402618411 /nfs/dbraw/zinc/61/84/11/402618411.db2.gz AWCSLIDQTAZBNS-STQMWFEESA-N 0 3 320.393 2.297 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)CCN1CCOCC1 ZINC000182743998 402713261 /nfs/dbraw/zinc/71/32/61/402713261.db2.gz BSADPWOOEHFNLQ-CQSZACIVSA-N 0 3 307.394 2.228 20 5 DEBDHN C[C@@H]1C[C@H](NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000255568151 402691306 /nfs/dbraw/zinc/69/13/06/402691306.db2.gz USOMGHUSIPPUFM-FOKAFCKMSA-N 0 3 315.373 2.349 20 5 DEBDHN O=C(NC[C@@H]1CCCCN1C1CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000278073764 402853441 /nfs/dbraw/zinc/85/34/41/402853441.db2.gz XJESTRYQUSZNPK-ZDUSSCGKSA-N 0 3 321.352 2.481 20 5 DEBDHN C[C@@H]1CN(C2CCOCC2)CCN1c1ccc([N+](=O)[O-])cc1F ZINC000278795159 402871974 /nfs/dbraw/zinc/87/19/74/402871974.db2.gz MXLMUCAENPXNEK-GFCCVEGCSA-N 0 3 323.368 2.423 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@@H](O)C1CCOCC1)CCC2 ZINC000278854474 402878490 /nfs/dbraw/zinc/87/84/90/402878490.db2.gz VVXOAVPBSJFSSP-IAGOWNOFSA-N 0 3 320.389 2.349 20 5 DEBDHN CN1CC=C(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000271952452 402887469 /nfs/dbraw/zinc/88/74/69/402887469.db2.gz XYUSKHUACHTVLY-UHFFFAOYSA-N 0 3 314.345 2.068 20 5 DEBDHN CN(C[C@H]1CCCN(C)C1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000265190624 402899424 /nfs/dbraw/zinc/89/94/24/402899424.db2.gz OMFANNGDPCNIAG-LBPRGKRZSA-N 0 3 306.366 2.400 20 5 DEBDHN Cc1ccc(CN(C)[C@@H](C)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000279417121 402940486 /nfs/dbraw/zinc/94/04/86/402940486.db2.gz MUWKSGPORKIHRP-AWEZNQCLSA-N 0 3 307.394 2.056 20 5 DEBDHN CNC(=O)C[C@H](C)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000279504849 402949583 /nfs/dbraw/zinc/94/95/83/402949583.db2.gz MWTGYURDGABSRJ-QMMMGPOBSA-N 0 3 319.283 2.228 20 5 DEBDHN CCN1CCC(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000265832944 402954246 /nfs/dbraw/zinc/95/42/46/402954246.db2.gz TTWCPNAOJMUMTD-UHFFFAOYSA-N 0 3 319.405 2.473 20 5 DEBDHN CN1CC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)[C@@H]2C1 ZINC000272569802 402954451 /nfs/dbraw/zinc/95/44/51/402954451.db2.gz FPPZONMQDYNSBL-QMTHXVAHSA-N 0 3 323.780 2.414 20 5 DEBDHN COC(=O)C1=C(C)O[C@H](CN[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000272579700 402955909 /nfs/dbraw/zinc/95/59/09/402955909.db2.gz ROCVTQNYEFALGB-HZMBPMFUSA-N 0 3 320.345 2.481 20 5 DEBDHN CCN1CCCN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000274289935 403042136 /nfs/dbraw/zinc/04/21/36/403042136.db2.gz GCMXUBCEQQFMSX-UHFFFAOYSA-N 0 3 311.357 2.270 20 5 DEBDHN C[C@@H]1CN(C2CC2)C[C@@H]1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000268155171 403055621 /nfs/dbraw/zinc/05/56/21/403055621.db2.gz NIAMLBIORPQLQG-RNCFNFMXSA-N 0 3 306.322 2.398 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000268207623 403061803 /nfs/dbraw/zinc/06/18/03/403061803.db2.gz KBHIWVMPCOEELX-IAQYHMDHSA-N 0 3 303.362 2.116 20 5 DEBDHN CS[C@H]1CN(c2ccc([N+](=O)[O-])cn2)C[C@H]1N1CCCC1 ZINC000274711423 403080935 /nfs/dbraw/zinc/08/09/35/403080935.db2.gz XZXRKDNSMPAJJY-OLZOCXBDSA-N 0 3 308.407 2.006 20 5 DEBDHN CC[C@@H]1CN(c2cccc(C)c2[N+](=O)[O-])CCN1C[C@@H](C)O ZINC000275473159 403103263 /nfs/dbraw/zinc/10/32/63/403103263.db2.gz OMAKKQYYVVYSRN-ZIAGYGMSSA-N 0 3 307.394 2.185 20 5 DEBDHN Cc1cc(N2CCN(CC(C)(C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000275823821 403126300 /nfs/dbraw/zinc/12/63/00/403126300.db2.gz NIPRXBDKVJCWRO-CYBMUJFWSA-N 0 3 307.394 2.185 20 5 DEBDHN COCC[C@H](CO)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000282250463 403136362 /nfs/dbraw/zinc/13/63/62/403136362.db2.gz OMYJOSQGWJQERQ-CYBMUJFWSA-N 0 3 320.345 2.342 20 5 DEBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC(c3ncc[nH]3)CC2)c1 ZINC000269642180 403152583 /nfs/dbraw/zinc/15/25/83/403152583.db2.gz JRHLIGLHAMOPHC-OAHLLOKOSA-N 0 3 316.361 2.231 20 5 DEBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC(n3ccnc3)CC2)c1 ZINC000269656801 403153928 /nfs/dbraw/zinc/15/39/28/403153928.db2.gz ORPFJLLHCUPQDP-INIZCTEOSA-N 0 3 316.361 2.162 20 5 DEBDHN CS[C@@H]1CN(c2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1N(C)C ZINC000270385479 403186561 /nfs/dbraw/zinc/18/65/61/403186561.db2.gz QTXHJENSASZIOR-NWDGAFQWSA-N 0 3 317.361 2.355 20 5 DEBDHN CS[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000270471016 403193530 /nfs/dbraw/zinc/19/35/30/403193530.db2.gz MIMSNEXACFEQJZ-STQMWFEESA-N 0 3 324.406 2.104 20 5 DEBDHN CCCCOC[C@@H](O)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000285383125 403284768 /nfs/dbraw/zinc/28/47/68/403284768.db2.gz RUWVEJMXWCIJHN-HNNXBMFYSA-N 0 3 310.394 2.247 20 5 DEBDHN CCN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H](C)CO ZINC000292193766 403317483 /nfs/dbraw/zinc/31/74/83/403317483.db2.gz NIBHQKHYGVURQV-GFCCVEGCSA-N 0 3 319.361 2.495 20 5 DEBDHN CN(C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[C@H]1CCCN(C)C1 ZINC000342936784 403402950 /nfs/dbraw/zinc/40/29/50/403402950.db2.gz YYQWSHXHMXMXGM-NSHDSACASA-N 0 3 316.361 2.242 20 5 DEBDHN CN1CCC[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C2)C1 ZINC000293860582 403584643 /nfs/dbraw/zinc/58/46/43/403584643.db2.gz DRXMGNWLJOTHRZ-MRXNPFEDSA-N 0 3 321.352 2.292 20 5 DEBDHN CC(C)(CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)OCCO ZINC000287288579 403567998 /nfs/dbraw/zinc/56/79/98/403567998.db2.gz JZDZBKCTIDBRFZ-OAHLLOKOSA-N 0 3 308.378 2.349 20 5 DEBDHN Cc1c(NC(=O)N2CCN(C)CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000340245183 403575168 /nfs/dbraw/zinc/57/51/68/403575168.db2.gz CNMOUGLZQIMDPH-NSHDSACASA-N 0 3 306.366 2.461 20 5 DEBDHN O=[N+]([O-])c1cc2c(ncnc2NCCN2CC=CCC2)s1 ZINC000287583468 403629082 /nfs/dbraw/zinc/62/90/82/403629082.db2.gz DSFRGFCXCTXPJF-UHFFFAOYSA-N 0 3 305.363 2.273 20 5 DEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)CCNC(=O)N(C)C ZINC000347378629 403686085 /nfs/dbraw/zinc/68/60/85/403686085.db2.gz PUKYNPWFYIYBRH-JLHYYAGUSA-N 0 3 320.393 2.201 20 5 DEBDHN C[C@H]1[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CCCN1C ZINC000343581392 403649466 /nfs/dbraw/zinc/64/94/66/403649466.db2.gz ZCOOLMPNNRVHMF-SWLSCSKDSA-N 0 3 319.405 2.471 20 5 DEBDHN CCC[C@@]1(CO)CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000288893838 403788902 /nfs/dbraw/zinc/78/89/02/403788902.db2.gz SACHAGUURMMJME-MRXNPFEDSA-N 0 3 308.378 2.458 20 5 DEBDHN C[C@H]1CCCN(CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000344185623 403964984 /nfs/dbraw/zinc/96/49/84/403964984.db2.gz SZUBYSBEEFUQON-NSHDSACASA-N 0 3 309.341 2.196 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](CO)[C@@H]1CCCOC1 ZINC000411992565 404049883 /nfs/dbraw/zinc/04/98/83/404049883.db2.gz WYPOFUDPEZEDSS-ZENOOKHLSA-N 0 3 308.378 2.341 20 5 DEBDHN O=[N+]([O-])c1ccc(NCCN2CCC(O)CC2)c2ccncc21 ZINC000296135778 404109435 /nfs/dbraw/zinc/10/94/35/404109435.db2.gz WWMSBYMFCXOOOE-UHFFFAOYSA-N 0 3 316.361 2.012 20 5 DEBDHN CO[C@@H](C)[C@@H](C)N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000290469815 404182143 /nfs/dbraw/zinc/18/21/43/404182143.db2.gz GGICAHLYJWRIIC-UTUOFQBUSA-N 0 3 309.366 2.243 20 5 DEBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000344662305 404291624 /nfs/dbraw/zinc/29/16/24/404291624.db2.gz IFOIPNNVUDVUPI-ZDUSSCGKSA-N 0 3 320.393 2.027 20 5 DEBDHN COC[C@H](O)CCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290839951 404334282 /nfs/dbraw/zinc/33/42/82/404334282.db2.gz IQQFVRSYSAJCJM-SNVBAGLBSA-N 0 3 323.176 2.389 20 5 DEBDHN CC1(C)CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]1C1CC1 ZINC000290785710 404311609 /nfs/dbraw/zinc/31/16/09/404311609.db2.gz NPYRDVBHRUUPJN-ZBFHGGJFSA-N 0 3 320.389 2.455 20 5 DEBDHN CC(C)c1ccc(CNCCc2ncn(C)n2)cc1[N+](=O)[O-] ZINC000344877770 404421972 /nfs/dbraw/zinc/42/19/72/404421972.db2.gz GWBGAKPVYCQCOT-UHFFFAOYSA-N 0 3 303.366 2.179 20 5 DEBDHN CC(=O)N1CC[C@@H](NC/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000345044849 404514722 /nfs/dbraw/zinc/51/47/22/404514722.db2.gz RPEDBVJJKIECCI-INDWDQIESA-N 0 3 303.362 2.209 20 5 DEBDHN O=[N+]([O-])c1cc(CN[C@H]2CCOC3(CCOCC3)C2)cs1 ZINC000344904403 404436356 /nfs/dbraw/zinc/43/63/56/404436356.db2.gz WCEKMSZIPIPJIB-LBPRGKRZSA-N 0 3 312.391 2.474 20 5 DEBDHN O=[N+]([O-])c1cc(CN[C@@H]2CCOC3(CCOCC3)C2)cs1 ZINC000344904401 404436719 /nfs/dbraw/zinc/43/67/19/404436719.db2.gz WCEKMSZIPIPJIB-GFCCVEGCSA-N 0 3 312.391 2.474 20 5 DEBDHN CO[C@@H]([C@H](C)N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000414178372 404535905 /nfs/dbraw/zinc/53/59/05/404535905.db2.gz JLCKOYPXZAOMGS-RWSFTLGLSA-N 0 3 321.377 2.325 20 5 DEBDHN C[C@H](NCCC(C)(C)S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000414262012 404558710 /nfs/dbraw/zinc/55/87/10/404558710.db2.gz NWEXVJJNQMURAX-NSHDSACASA-N 0 3 314.407 2.459 20 5 DEBDHN C[C@H]1[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCCN1C ZINC000345287948 404659152 /nfs/dbraw/zinc/65/91/52/404659152.db2.gz IVNBCGYCOFXZLE-HZMBPMFUSA-N 0 3 316.361 2.289 20 5 DEBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)CC1CCN(C)CC1 ZINC000291961261 404601244 /nfs/dbraw/zinc/60/12/44/404601244.db2.gz ODLCLILTBZNHIU-UHFFFAOYSA-N 0 3 319.405 2.328 20 5 DEBDHN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000374075714 404686798 /nfs/dbraw/zinc/68/67/98/404686798.db2.gz WDEHFTLXGXSODM-CXTNEJHOSA-N 0 3 322.409 2.090 20 5 DEBDHN C[C@H]1CN(c2ccccc2[N+](=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000374308703 404704059 /nfs/dbraw/zinc/70/40/59/404704059.db2.gz HCHSSGGAKURRTI-GJZGRUSLSA-N 0 3 318.421 2.057 20 5 DEBDHN O=C(CNC1(C2CC2)CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000375703403 404730728 /nfs/dbraw/zinc/73/07/28/404730728.db2.gz WTMUECGAMRHECD-UHFFFAOYSA-N 0 3 319.361 2.082 20 5 DEBDHN CO[C@@H]1[C@H]2C[C@H]3CN(CCOc4ccccc4[N+](=O)[O-])[C@H]1[C@H]3C2 ZINC000377401930 404837120 /nfs/dbraw/zinc/83/71/20/404837120.db2.gz PZTPZMWEFPTJFF-UCQBOQSVSA-N 0 3 318.373 2.329 20 5 DEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC(C2CCCC2)C1 ZINC000366504267 404804803 /nfs/dbraw/zinc/80/48/03/404804803.db2.gz JWEPXTHXJLQSJX-HNNXBMFYSA-N 0 3 320.389 2.457 20 5 DEBDHN Cc1c([C@@H](C)NCCN2CCOC[C@H]2C)cccc1[N+](=O)[O-] ZINC000361125769 404932348 /nfs/dbraw/zinc/93/23/48/404932348.db2.gz KLEPUCXPRDKITK-TZMCWYRMSA-N 0 3 307.394 2.275 20 5 DEBDHN CC[C@H](C)N1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000451846406 405063326 /nfs/dbraw/zinc/06/33/26/405063326.db2.gz REAWTDWNOTVVEM-LBPRGKRZSA-N 0 3 317.393 2.387 20 5 DEBDHN CC(C)[C@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)CCN1C ZINC000436376535 405075252 /nfs/dbraw/zinc/07/52/52/405075252.db2.gz IONGBVHAQFIWTD-OAHLLOKOSA-N 0 3 304.394 2.339 20 5 DEBDHN CC(C)[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCN1C ZINC000444710546 405341629 /nfs/dbraw/zinc/34/16/29/405341629.db2.gz VOWFWBHOCYTZGE-HNNXBMFYSA-N 0 3 317.393 2.243 20 5 DEBDHN C[C@@]1(F)CNCCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000420258371 405302150 /nfs/dbraw/zinc/30/21/50/405302150.db2.gz GEKFGDYDJXNBBF-LLVKDONJSA-N 0 3 322.262 2.146 20 5 DEBDHN C[C@H](NC(=O)N(C)C[C@H]1CCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000420824870 405391381 /nfs/dbraw/zinc/39/13/81/405391381.db2.gz RGCREPMFJAUASG-SWLSCSKDSA-N 0 3 320.393 2.391 20 5 DEBDHN COc1cc(CN(C)C[C@@H]2CCCN2C)c([N+](=O)[O-])cc1F ZINC000421001324 405425468 /nfs/dbraw/zinc/42/54/68/405425468.db2.gz LBZCWDFSHNACKJ-LBPRGKRZSA-N 0 3 311.357 2.269 20 5 DEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCc1n[nH]c(C2CC2)n1 ZINC000449407366 405550395 /nfs/dbraw/zinc/55/03/95/405550395.db2.gz HDPPBLSSDXZEQY-SNVBAGLBSA-N 0 3 301.350 2.311 20 5 DEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1nnc(C2CC2)[n-]1 ZINC000449407366 405550398 /nfs/dbraw/zinc/55/03/98/405550398.db2.gz HDPPBLSSDXZEQY-SNVBAGLBSA-N 0 3 301.350 2.311 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H](N(C)C)C1 ZINC000421760197 405633985 /nfs/dbraw/zinc/63/39/85/405633985.db2.gz FIOLZEFVYKYXTG-ZDUSSCGKSA-N 0 3 305.378 2.378 20 5 DEBDHN CN(C[C@@H]1CCCN1C)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000421707502 405601664 /nfs/dbraw/zinc/60/16/64/405601664.db2.gz XRTAGJYVONLHTJ-ZDUSSCGKSA-N 0 3 323.418 2.240 20 5 DEBDHN Cc1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](C)CCN2)cc1[N+](=O)[O-] ZINC000423280182 405747600 /nfs/dbraw/zinc/74/76/00/405747600.db2.gz SKMRMFKJUDJJJW-JKOKRWQUSA-N 0 3 305.378 2.469 20 5 DEBDHN C[C@H]1CCN(CCNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000568788853 292367925 /nfs/dbraw/zinc/36/79/25/292367925.db2.gz VFWMTZYNYXMBCX-NSHDSACASA-N 0 3 316.361 2.148 20 5 DEBDHN CCN1C[C@H](C)N(CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000459492124 405927038 /nfs/dbraw/zinc/92/70/38/405927038.db2.gz ZTDGXYHONYBLTD-KBPBESRZSA-N 0 3 307.394 2.388 20 5 DEBDHN C[C@@H](CNC[C@@H](O)COc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000569716537 406294328 /nfs/dbraw/zinc/29/43/28/406294328.db2.gz OYJAWVPWUNLXAF-VHSXEESVSA-N 0 3 322.283 2.123 20 5 DEBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@]2(C1)CCCN(C)C2 ZINC000521277796 406341450 /nfs/dbraw/zinc/34/14/50/406341450.db2.gz ZWZXHLBBNOHGTL-OAHLLOKOSA-N 0 3 307.398 2.042 20 5 DEBDHN CN(C)C(=O)CCCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000570174068 406356978 /nfs/dbraw/zinc/35/69/78/406356978.db2.gz YAWSEPZFHAIYFI-UHFFFAOYSA-N 0 3 305.378 2.428 20 5 DEBDHN COCCN(CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCO[C@@H]1C ZINC000489478949 406410760 /nfs/dbraw/zinc/41/07/60/406410760.db2.gz XQOUHOMNGQWOAA-CZUORRHYSA-N 0 3 324.377 2.099 20 5 DEBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@H]1CCCN(CCCO)C1 ZINC000570648724 406420930 /nfs/dbraw/zinc/42/09/30/406420930.db2.gz LROPBIVWNFJZDC-BBRMVZONSA-N 0 3 319.405 2.019 20 5 DEBDHN C[C@@H]1CCN(CCNC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000524774994 406458624 /nfs/dbraw/zinc/45/86/24/406458624.db2.gz LYPUUKNEEKPLEH-GFCCVEGCSA-N 0 3 323.418 2.145 20 5 DEBDHN CN(CCN1CCCC1)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000491447504 406595030 /nfs/dbraw/zinc/59/50/30/406595030.db2.gz CJZQHRKQSGJCBL-FPLPWBNLSA-N 0 3 303.362 2.162 20 5 DEBDHN Cn1cc2c(n1)CCC[C@@H]2NCCOc1ccc([N+](=O)[O-])cc1 ZINC000527066449 406578280 /nfs/dbraw/zinc/57/82/80/406578280.db2.gz XIPVKMNRDTXJLO-HNNXBMFYSA-N 0 3 316.361 2.374 20 5 DEBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@@H]1CCCN(C)C1 ZINC000553388350 406756449 /nfs/dbraw/zinc/75/64/49/406756449.db2.gz ZPOUGIXDYBSWHU-LBPRGKRZSA-N 0 3 321.377 2.444 20 5 DEBDHN C[C@H]1CCN(C)CCN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000491891015 406765784 /nfs/dbraw/zinc/76/57/84/406765784.db2.gz YJZXUEIEBMVFCD-YBJDMEARSA-N 0 3 303.362 2.161 20 5 DEBDHN C[C@H]1CCN(C)CCN1C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000491890414 406765922 /nfs/dbraw/zinc/76/59/22/406765922.db2.gz XRGFMRYJWVDFLO-FUEXJSSKSA-N 0 3 321.352 2.300 20 5 DEBDHN C[C@@H]1C[C@@H](NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000491942393 406785000 /nfs/dbraw/zinc/78/50/00/406785000.db2.gz VFKDFRCPQKLJMM-HPFKKHKDSA-N 0 3 303.362 2.207 20 5 DEBDHN CN(C)CC(C)(C)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000413853670 228385918 /nfs/dbraw/zinc/38/59/18/228385918.db2.gz CIXQGTKWGKAJCS-UONOGXRCSA-N 0 3 305.378 2.155 20 5 DEBDHN CCCCN1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])c(C)n1 ZINC000450295542 425069042 /nfs/dbraw/zinc/06/90/42/425069042.db2.gz YZHCEQRPQHCYIG-CYBMUJFWSA-N 0 3 307.398 2.760 20 5 DEBDHN C[C@H](C(=O)N1CCC[C@H](N(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000518274142 269397767 /nfs/dbraw/zinc/39/77/67/269397767.db2.gz JSQPHUIEZPKBGJ-WFASDCNBSA-N 0 3 305.378 2.251 20 5 DEBDHN CS[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)C[C@H]1N1CCCC1 ZINC000274711422 274182575 /nfs/dbraw/zinc/18/25/75/274182575.db2.gz XZXRKDNSMPAJJY-CHWSQXEVSA-N 0 3 308.407 2.006 20 5 DEBDHN Nc1ccc([N+](=O)[O-])c(N2CCN([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)c1 ZINC000170616265 274964869 /nfs/dbraw/zinc/96/48/69/274964869.db2.gz MOYCRIHEAHWQGL-WOSRLPQWSA-N 0 3 316.405 2.488 20 5 DEBDHN O=[N+]([O-])c1cc2c(ncnc2N2CC[C@H](N3CC=CC3)C2)s1 ZINC000287432529 275034119 /nfs/dbraw/zinc/03/41/19/275034119.db2.gz UUDBBIXAEJGHCC-JTQLQIEISA-N 0 3 317.374 2.050 20 5 DEBDHN CCCN1CCC[C@H]1CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000343657395 276011863 /nfs/dbraw/zinc/01/18/63/276011863.db2.gz IZLTXAMRYMRXKU-NSHDSACASA-N 0 3 323.397 2.046 20 5 DEBDHN CCOC[C@@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000286112290 276329541 /nfs/dbraw/zinc/32/95/41/276329541.db2.gz LQTRNVAVAZAIJI-OAHLLOKOSA-N 0 3 323.393 2.208 20 5 DEBDHN CC[C@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)N(CC)CC ZINC000265569567 276543544 /nfs/dbraw/zinc/54/35/44/276543544.db2.gz SAMQZIFTNGATFU-OAHLLOKOSA-N 0 3 307.394 2.374 20 5 DEBDHN CC(C)(C(=O)NCCN1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000341152015 277124468 /nfs/dbraw/zinc/12/44/68/277124468.db2.gz QHSFZECHGQTZHE-UHFFFAOYSA-N 0 3 305.378 2.084 20 5 DEBDHN C[C@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000272650543 278250376 /nfs/dbraw/zinc/25/03/76/278250376.db2.gz ANCBANQTDWTZNK-JTQLQIEISA-N 0 3 307.325 2.114 20 5 DEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000449315496 279382275 /nfs/dbraw/zinc/38/22/75/279382275.db2.gz VLBNGUXYHKEEMW-XPKDYRNWSA-N 0 3 317.389 2.269 20 5 DEBDHN C[C@H](N[C@@H](C)[C@H](C)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000245453956 279497163 /nfs/dbraw/zinc/49/71/63/279497163.db2.gz GLKGACGIEURZAG-IHRRRGAJSA-N 0 3 307.394 2.355 20 5 DEBDHN Cc1cc(NC[C@@H](O)CN2CCCCC2)c(F)cc1[N+](=O)[O-] ZINC000290932694 280626613 /nfs/dbraw/zinc/62/66/13/280626613.db2.gz JIVXGARGYLWDGJ-GFCCVEGCSA-N 0 3 311.357 2.301 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1N1CCN(C2CCOCC2)CC1 ZINC000267099073 281259913 /nfs/dbraw/zinc/25/99/13/281259913.db2.gz WIUJRSNCILCLIA-UHFFFAOYSA-N 0 3 305.378 2.204 20 5 DEBDHN Cc1cccc(OC[C@H](O)CNCc2cccc([N+](=O)[O-])c2)c1 ZINC000067254222 281517850 /nfs/dbraw/zinc/51/78/50/281517850.db2.gz WNMZKPJQKOSVKQ-MRXNPFEDSA-N 0 3 316.357 2.433 20 5 DEBDHN O=C1NCC[C@@H]1CCN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000573931500 326106480 /nfs/dbraw/zinc/10/64/80/326106480.db2.gz WVLZEDFETAILOX-GFCCVEGCSA-N 0 3 303.362 2.085 20 5 DEBDHN Cc1cnccc1CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000574482742 326158933 /nfs/dbraw/zinc/15/89/33/326158933.db2.gz JYODMSWEUHHHBT-UHFFFAOYSA-N 0 3 301.350 2.332 20 5 DEBDHN COc1cc(C[NH2+]C[C@H]2CCOC[C@H]2C)c([N+](=O)[O-])cc1[O-] ZINC000285644328 500629872 /nfs/dbraw/zinc/62/98/72/500629872.db2.gz XXEXJSAVGSSUIG-GHMZBOCLSA-N 0 3 310.350 2.071 20 5 DEBDHN CC(=O)N[C@@H](C)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000360616265 534536975 /nfs/dbraw/zinc/53/69/75/534536975.db2.gz ALZDJPSWLLOCLG-ZDUSSCGKSA-N 0 3 319.405 2.374 20 5 DEBDHN CCOC(=O)[C@H](C)[C@H](C)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000338305607 521228560 /nfs/dbraw/zinc/22/85/60/521228560.db2.gz SNTSVBWLDHLLQP-MNOVXSKESA-N 0 3 310.350 2.281 20 5 DEBDHN COc1cc(C(=O)N[C@@H]2CCCN(C)[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000359869197 536503978 /nfs/dbraw/zinc/50/39/78/536503978.db2.gz CZBYAAGQHWHGSS-DGCLKSJQSA-N 0 3 321.377 2.124 20 5 DEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCC1([S@@](C)=O)CC1 ZINC000441206591 527529185 /nfs/dbraw/zinc/52/91/85/527529185.db2.gz WLZHSZFOIIHYLB-NBILRRPASA-N 0 3 308.403 2.499 20 5 DEBDHN CCN1CCC[C@H]1CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000296578382 529105598 /nfs/dbraw/zinc/10/55/98/529105598.db2.gz QXZXRUJXVJRTGP-NSHDSACASA-N 0 3 317.349 2.140 20 5 DEBDHN CC(C)[C@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CCN1C ZINC000493015638 535209435 /nfs/dbraw/zinc/20/94/35/535209435.db2.gz KLFNMPOSDCTXRA-ROJDOSBLSA-N 0 3 317.389 2.407 20 5 DEBDHN CN1C[C@@H]2CCCN(C(=O)/C=C\c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000493155903 536487121 /nfs/dbraw/zinc/48/71/21/536487121.db2.gz NIVGVNSWBFFDJS-AYPLEAKFSA-N 0 3 315.373 2.161 20 5 DEBDHN COc1ccc(CN[C@@H](C)Cc2cnccn2)cc1[N+](=O)[O-] ZINC000358729541 536896900 /nfs/dbraw/zinc/89/69/00/536896900.db2.gz GMUCGMXDRVUXNZ-NSHDSACASA-N 0 3 302.334 2.114 20 5 DEBDHN CC(COC(=O)Cc1sccc1Br)[N+](=O)[O-] ZINC000835454398 649923811 /nfs/dbraw/zinc/92/38/11/649923811.db2.gz JICRGBSUVRSXQY-ZCFIWIBFSA-N 0 3 308.153 2.262 20 5 DEBDHN COc1c([O-])ccc(C[NH2+]C2C[C@@H](C)O[C@H](C)C2)c1[N+](=O)[O-] ZINC000893259141 625325780 /nfs/dbraw/zinc/32/57/80/625325780.db2.gz CLQZCFVROWBUBQ-NXEZZACHSA-N 0 3 310.350 2.355 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@]1(C)CN2CCC1CC2 ZINC000892767762 625569357 /nfs/dbraw/zinc/56/93/57/625569357.db2.gz ORHWJFAEJRQOGT-QGZVFWFLSA-N 0 3 317.389 2.426 20 5 DEBDHN CC(C)(F)C(=O)N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001021770762 624061758 /nfs/dbraw/zinc/06/17/58/624061758.db2.gz OEGINUFLSOPZLV-TXEJJXNPSA-N 0 3 309.341 2.080 20 5 DEBDHN Cc1c(NC(=O)N2CC[C@H]3CN(C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000929221814 633619719 /nfs/dbraw/zinc/61/97/19/633619719.db2.gz WMXYOIWBZCSQKZ-SMDDNHRTSA-N 0 3 304.350 2.071 20 5 DEBDHN COc1cc(CN[C@@H]2CCO[C@H]2C2CC2)c([N+](=O)[O-])cc1OC ZINC000922516578 636210228 /nfs/dbraw/zinc/21/02/28/636210228.db2.gz OZJMYLSZZZISSD-WBMJQRKESA-N 0 3 322.361 2.269 20 5 DEBDHN COC(=O)c1cnc(CCNCc2cccc([N+](=O)[O-])c2)s1 ZINC000922838626 636437036 /nfs/dbraw/zinc/43/70/36/636437036.db2.gz IKFMHGPOBWEIPR-UHFFFAOYSA-N 0 3 321.358 2.170 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCOC12CCOCC2 ZINC000924954667 636651852 /nfs/dbraw/zinc/65/18/52/636651852.db2.gz KNICDIBKNBXQAA-HNNXBMFYSA-N 0 3 322.361 2.031 20 5 DEBDHN CC[C@@H](C)N1CCN(Cc2ccc(O)c(OC)c2[N+](=O)[O-])CC1 ZINC000894755140 637196201 /nfs/dbraw/zinc/19/62/01/637196201.db2.gz NAHOPUFVCNHRSH-GFCCVEGCSA-N 0 3 323.393 2.225 20 5 DEBDHN COc1c([O-])ccc(C[NH2+]CCC2CC(OC)C2)c1[N+](=O)[O-] ZINC000895303481 637909516 /nfs/dbraw/zinc/90/95/16/637909516.db2.gz ANALGBQOSWTCFQ-UHFFFAOYSA-N 0 3 310.350 2.214 20 5 DEBDHN CN1CC[C@H]1CNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000896596287 638602152 /nfs/dbraw/zinc/60/21/52/638602152.db2.gz WWDJZOJMJBAHHS-NSHDSACASA-N 0 3 303.284 2.407 20 5 DEBDHN O=[N+]([O-])c1ccc(N2CCC(NCc3ccno3)CC2)cc1 ZINC000761511937 640319640 /nfs/dbraw/zinc/31/96/40/640319640.db2.gz VPSYJBIEVRUGHH-UHFFFAOYSA-N 0 3 302.334 2.341 20 5 DEBDHN COc1ncncc1CNC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897459673 640430754 /nfs/dbraw/zinc/43/07/54/640430754.db2.gz BOEKSWNDACFHFD-LLVKDONJSA-N 0 3 302.334 2.287 20 5 DEBDHN CN(C)CCN(C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000898017746 641001572 /nfs/dbraw/zinc/00/15/72/641001572.db2.gz RSNIQLFYOSPYSA-HZPDHXFCSA-N 0 3 317.389 2.251 20 5 DEBDHN COc1ccc(CN[C@@H]2Cc3ccccc3[C@H]2O)cc1[N+](=O)[O-] ZINC000898393264 641642820 /nfs/dbraw/zinc/64/28/20/641642820.db2.gz PVABSQDTWCPLNG-RHSMWYFYSA-N 0 3 314.341 2.351 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN[C@H](C(C)C)C2)c1C ZINC000899021586 641901929 /nfs/dbraw/zinc/90/19/29/641901929.db2.gz OZOHAJWXIVCPTG-ZDUSSCGKSA-N 0 3 305.378 2.282 20 5 DEBDHN CN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCN(C2CC2)C1 ZINC000774876919 641975883 /nfs/dbraw/zinc/97/58/83/641975883.db2.gz FENPLAYKIGTANV-CQSZACIVSA-N 0 3 320.349 2.172 20 5 DEBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000776275970 642151923 /nfs/dbraw/zinc/15/19/23/642151923.db2.gz JEFVFFXXUIIKEZ-CZUORRHYSA-N 0 3 316.361 2.231 20 5 DEBDHN C/C(=C/C(=O)N1CCCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000784991976 643191576 /nfs/dbraw/zinc/19/15/76/643191576.db2.gz MZSPONLTPSOZDE-SEYXRHQNSA-N 0 3 303.362 2.162 20 5 DEBDHN CN1CC[C@H](CNCC[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000905188690 643817903 /nfs/dbraw/zinc/81/79/03/643817903.db2.gz FSVWABZVYFZNFN-BXUZGUMPSA-N 0 3 315.776 2.338 20 5 DEBDHN C[C@H](Cc1ccc(F)c(Br)c1)NCC[N+](=O)[O-] ZINC000905164796 643821059 /nfs/dbraw/zinc/82/10/59/643821059.db2.gz IQODVSVCEJKBGR-MRVPVSSYSA-N 0 3 305.147 2.386 20 5 DEBDHN Cc1cnc(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000905575722 643957305 /nfs/dbraw/zinc/95/73/05/643957305.db2.gz KGTYWTWZMYVBDR-MRXNPFEDSA-N 0 3 301.346 2.430 20 5 DEBDHN O=[N+]([O-])c1cccc([C@@H](O)CNCc2cccc3c2OCC3)c1 ZINC000905615850 643980864 /nfs/dbraw/zinc/98/08/64/643980864.db2.gz FPXPVPNWEZBXET-INIZCTEOSA-N 0 3 314.341 2.353 20 5 DEBDHN CCN1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000910288149 645392023 /nfs/dbraw/zinc/39/20/23/645392023.db2.gz NLAINCPTRRKGSZ-ZDUSSCGKSA-N 0 3 305.378 2.460 20 5 DEBDHN CC(C)[C@@H](C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F)N(C)C ZINC000911476710 645714628 /nfs/dbraw/zinc/71/46/28/645714628.db2.gz SQBPMQRDLULEMQ-ZDUSSCGKSA-N 0 3 315.320 2.075 20 5 DEBDHN Cc1cc(NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)nc(N)n1 ZINC000808164688 646045131 /nfs/dbraw/zinc/04/51/31/646045131.db2.gz HXJWQBVOKVMVJQ-UHFFFAOYSA-N 0 3 312.333 2.411 20 5 DEBDHN CC(COC(=O)c1ccc(N2CCC(C)CC2)nc1)[N+](=O)[O-] ZINC000813104229 646729324 /nfs/dbraw/zinc/72/93/24/646729324.db2.gz YMAXVQLAFKNMME-LBPRGKRZSA-N 0 3 307.350 2.140 20 5 DEBDHN Cc1oc(-c2ccsc2)nc1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813106545 646729531 /nfs/dbraw/zinc/72/95/31/646729531.db2.gz DEHKLBNRFQMAJD-MRVPVSSYSA-N 0 3 310.331 2.462 20 5 DEBDHN CC(COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000813104020 646729838 /nfs/dbraw/zinc/72/98/38/646729838.db2.gz WIKIIMPUVTZIKC-JTQLQIEISA-N 0 3 323.305 2.017 20 5 DEBDHN CC(COC(=O)Cc1cccc(Br)c1)[N+](=O)[O-] ZINC000813108432 646730270 /nfs/dbraw/zinc/73/02/70/646730270.db2.gz FUIDMVLYWJFGNG-QMMMGPOBSA-N 0 3 302.124 2.200 20 5 DEBDHN CC(COC(=O)c1ccc(OCc2cccnc2)cc1)[N+](=O)[O-] ZINC000813109955 646730560 /nfs/dbraw/zinc/73/05/60/646730560.db2.gz XUNHIJXWPLTSCW-LBPRGKRZSA-N 0 3 316.313 2.483 20 5 DEBDHN CC(COC(=O)c1cnn(-c2cccc(Cl)c2)c1)[N+](=O)[O-] ZINC000813108612 646730803 /nfs/dbraw/zinc/73/08/03/646730803.db2.gz IFKFICLATZTFRN-VIFPVBQESA-N 0 3 309.709 2.348 20 5 DEBDHN COc1ccc(C2(C(=O)OCC(C)[N+](=O)[O-])CCC2)cc1OC ZINC000813110821 646731192 /nfs/dbraw/zinc/73/11/92/646731192.db2.gz KDDWSVSLWXFJKD-LLVKDONJSA-N 0 3 323.345 2.334 20 5 DEBDHN Cc1nc(-c2ccccc2)ncc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813110445 646731262 /nfs/dbraw/zinc/73/12/62/646731262.db2.gz AVUZKRZZQYAVLD-SNVBAGLBSA-N 0 3 301.302 2.274 20 5 DEBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])c2cnn(C(C)C)c2n1 ZINC000813113144 646731453 /nfs/dbraw/zinc/73/14/53/646731453.db2.gz NZEIHQSJENQNAD-JTQLQIEISA-N 0 3 306.322 2.143 20 5 DEBDHN CC(COC(=O)c1ccnc(N2CCC[C@@H](C)C2)c1)[N+](=O)[O-] ZINC000813114015 646733039 /nfs/dbraw/zinc/73/30/39/646733039.db2.gz KXYRCWDRKCMMGV-VXGBXAGGSA-N 0 3 307.350 2.140 20 5 DEBDHN Cc1cc(C)n(Cc2ccc(C(=O)OCC(C)[N+](=O)[O-])cc2)n1 ZINC000813115193 646733475 /nfs/dbraw/zinc/73/34/75/646733475.db2.gz MMTNZZKTUDAOKF-CYBMUJFWSA-N 0 3 317.345 2.370 20 5 DEBDHN O=[N+]([O-])c1ccc(CN[C@H](C2CC2)[C@]2(CO)CCCO2)cc1F ZINC000815289112 646997967 /nfs/dbraw/zinc/99/79/67/646997967.db2.gz DGCUAWCWVZVQAF-HZPDHXFCSA-N 0 3 324.352 2.144 20 5 DEBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@H](O)CC23CCC3)c1 ZINC000817290449 647259210 /nfs/dbraw/zinc/25/92/10/647259210.db2.gz IZKIHIWHDNQCIZ-GJZGRUSLSA-N 0 3 306.362 2.008 20 5 DEBDHN COC1([C@H](C)NCc2cc(F)ccc2[N+](=O)[O-])CCOCC1 ZINC000817296342 647261730 /nfs/dbraw/zinc/26/17/30/647261730.db2.gz GUCGXLWYVLUUSN-NSHDSACASA-N 0 3 312.341 2.408 20 5 DEBDHN CC(COC(=O)C1(Cc2ccccc2)CCOCC1)[N+](=O)[O-] ZINC000835455122 647478652 /nfs/dbraw/zinc/47/86/52/647478652.db2.gz MZPLIWHMUAXBGE-CYBMUJFWSA-N 0 3 307.346 2.234 20 5 DEBDHN Cn1ncc2c1CCC[C@H]2NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818952409 647547809 /nfs/dbraw/zinc/54/78/09/647547809.db2.gz LCXHSIDPNOZJOK-ZBFHGGJFSA-N 0 3 316.361 2.029 20 5 DEBDHN CCCN1CC[C@@H](NC(=O)c2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000824681246 648634179 /nfs/dbraw/zinc/63/41/79/648634179.db2.gz JILOJCNYPVPEKY-CYBMUJFWSA-N 0 3 305.378 2.426 20 5 DEBDHN CO[C@@H](CNCc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CCOC1 ZINC000826822190 648931696 /nfs/dbraw/zinc/93/16/96/648931696.db2.gz MQTQHLARABMPOJ-RISCZKNCSA-N 0 3 314.769 2.389 20 5 DEBDHN C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2F)CN1C1CC1 ZINC000829863581 649366456 /nfs/dbraw/zinc/36/64/56/649366456.db2.gz PUUGUIMRZPCTIG-VHSXEESVSA-N 0 3 307.325 2.089 20 5 DEBDHN CC[C@H](C)N1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000832186199 649682969 /nfs/dbraw/zinc/68/29/69/649682969.db2.gz DNFOMXNEMVKXSB-XJKSGUPXSA-N 0 3 307.394 2.044 20 5 DEBDHN Cc1cc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])n(C)n1 ZINC000845874706 651291201 /nfs/dbraw/zinc/29/12/01/651291201.db2.gz JUOULCCUJUGCLZ-HZMBPMFUSA-N 0 3 321.308 2.431 20 5 DEBDHN CC(COC(=O)[C@H](c1ccc(Cl)cc1)N(C)C)[N+](=O)[O-] ZINC000847713743 651412651 /nfs/dbraw/zinc/41/26/51/651412651.db2.gz AHOPZJFNESMTAF-CABZTGNLSA-N 0 3 300.742 2.151 20 5 DEBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])c(C)n1C1CCOCC1 ZINC000851037641 652050512 /nfs/dbraw/zinc/05/05/12/652050512.db2.gz YOZANQPYAKBBTA-NSHDSACASA-N 0 3 310.350 2.278 20 5 DEBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])c(C)n1C1CCOCC1 ZINC000851037640 652050667 /nfs/dbraw/zinc/05/06/67/652050667.db2.gz YOZANQPYAKBBTA-LLVKDONJSA-N 0 3 310.350 2.278 20 5 DEBDHN O=[N+]([O-])c1ccc([C@H](O)CNCc2ccc(Cl)nc2)cc1 ZINC000857332194 652106903 /nfs/dbraw/zinc/10/69/03/652106903.db2.gz MWFZSUVEEQKUOD-CYBMUJFWSA-N 0 3 307.737 2.466 20 5 DEBDHN COC(=O)C1=CC[C@@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000858471071 652344620 /nfs/dbraw/zinc/34/46/20/652344620.db2.gz QUIDSKHAUUIBGA-BXUZGUMPSA-N 0 3 302.330 2.434 20 5 DEBDHN C[C@H](O)[C@@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000853135391 652508025 /nfs/dbraw/zinc/50/80/25/652508025.db2.gz WOEPJKVFQSRZPA-AFAVFJNCSA-N 0 3 316.357 2.340 20 5 DEBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(C)[C@H]1C ZINC000928441626 693780152 /nfs/dbraw/zinc/78/01/52/693780152.db2.gz SULFRRKYJLXTNY-BJJXKVORSA-N 0 3 319.405 2.372 20 5 DEBDHN CC([C@H](OC(=O)COCC(F)F)c1ccccc1F)[N+](=O)[O-] ZINC000860855276 685968813 /nfs/dbraw/zinc/96/88/13/685968813.db2.gz WDPBVWYDQIVIJZ-SDBXPKJASA-N 0 3 321.251 2.357 20 5 DEBDHN Cc1ccnn1CC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000860855054 685968832 /nfs/dbraw/zinc/96/88/32/685968832.db2.gz PVPXLLPLOPKTLO-ABAIWWIYSA-N 0 3 321.308 2.280 20 5 DEBDHN COCCN1CCC[C@H]1COC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000861032191 685987774 /nfs/dbraw/zinc/98/77/74/685987774.db2.gz KCAFEBAGXRQUBO-AWEZNQCLSA-N 0 3 322.361 2.171 20 5 DEBDHN CC(C)(C)OC(=O)N1CCC(N(CC[N+](=O)[O-])C2CC2)CC1 ZINC000929950133 694057918 /nfs/dbraw/zinc/05/79/18/694057918.db2.gz JUMRTVUAHQJCIL-UHFFFAOYSA-N 0 3 313.398 2.127 20 5 DEBDHN CS[C@H]1C[C@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000865733988 687316370 /nfs/dbraw/zinc/31/63/70/687316370.db2.gz DGSSZFMFNAUHSG-XYPYZODXSA-N 0 3 310.375 2.350 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CCCN1C(C)C ZINC000930317379 694135386 /nfs/dbraw/zinc/13/53/86/694135386.db2.gz ZYKUJNXQFAQTGP-AWEZNQCLSA-N 0 3 321.377 2.092 20 5 DEBDHN CC(COC(=O)C1(c2nccc3ccccc32)CC1)[N+](=O)[O-] ZINC000870378374 688552458 /nfs/dbraw/zinc/55/24/58/688552458.db2.gz VTUAQROHSIMEMQ-NSHDSACASA-N 0 3 300.314 2.475 20 5 DEBDHN Cc1cc(C(=O)N2CCN(C)C(C)(C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000871155749 688738148 /nfs/dbraw/zinc/73/81/48/688738148.db2.gz ZUWZCHWJXYIDIQ-UHFFFAOYSA-N 0 3 320.393 2.042 20 5 DEBDHN C[C@H](CN1CCN(C)CC1)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872035809 688917045 /nfs/dbraw/zinc/91/70/45/688917045.db2.gz ZBCCAIZZQNOGRV-OLZOCXBDSA-N 0 3 324.400 2.020 20 5 DEBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@@H]2CCCC[C@@H]2F)c1 ZINC000872218771 688956094 /nfs/dbraw/zinc/95/60/94/688956094.db2.gz NNGYXPXVXWPTIB-AEGPPILISA-N 0 3 312.341 2.205 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000874835808 689509880 /nfs/dbraw/zinc/50/98/80/689509880.db2.gz AOQLYOSHTGAQQR-HUUCEWRRSA-N 0 3 303.362 2.212 20 5 DEBDHN CC(C)(O)C1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000879627616 690693453 /nfs/dbraw/zinc/69/34/53/690693453.db2.gz MGTIGSLJSBFWDR-OAHLLOKOSA-N 0 3 308.378 2.111 20 5 DEBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(CCCCCO)CC1 ZINC000931501000 694413793 /nfs/dbraw/zinc/41/37/93/694413793.db2.gz ROHACGCFHDNMHR-OAHLLOKOSA-N 0 3 321.421 2.436 20 5 DEBDHN COC[C@@H](NCc1cc([N+](=O)[O-])ccc1OC)[C@H]1CCCOC1 ZINC000883185615 691451588 /nfs/dbraw/zinc/45/15/88/691451588.db2.gz AUKQBYYFMXNXDS-SWLSCSKDSA-N 0 3 324.377 2.135 20 5 DEBDHN O=[N+]([O-])c1ccccc1/C=C/CNCC[C@@H]1CCCS1(=O)=O ZINC000883300091 691476916 /nfs/dbraw/zinc/47/69/16/691476916.db2.gz NQEQCKARIWEBDX-ZRFDWSJLSA-N 0 3 324.402 2.165 20 5 DEBDHN COC(=O)CC1(NCc2cccnc2[N+](=O)[O-])CCCCC1 ZINC000886075244 691997994 /nfs/dbraw/zinc/99/79/94/691997994.db2.gz DNCFDKDNRYZHGB-UHFFFAOYSA-N 0 3 307.350 2.345 20 5 DEBDHN CCOC(=O)C[C@@](C)(NCc1cccnc1[N+](=O)[O-])C(C)C ZINC000886142693 692010873 /nfs/dbraw/zinc/01/08/73/692010873.db2.gz ITQQBGNXSPRFOM-OAHLLOKOSA-N 0 3 309.366 2.447 20 5 DEBDHN C[C@](CO)(NC[C@H]1CC[C@H](C2CC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000886307582 692051091 /nfs/dbraw/zinc/05/10/91/692051091.db2.gz WOFLRGCKSMXCOR-BRWVUGGUSA-N 0 3 320.389 2.350 20 5 DEBDHN CCOc1cc(NC(=O)NC[C@@H]2CCCN2C)ccc1[N+](=O)[O-] ZINC000888830561 692610357 /nfs/dbraw/zinc/61/03/57/692610357.db2.gz VWMRAXISUZQTOR-LBPRGKRZSA-N 0 3 322.365 2.209 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(NC[C@H]2CCN2C2CCOCC2)c1 ZINC000896519651 693003440 /nfs/dbraw/zinc/00/34/40/693003440.db2.gz WJLIIEQYBZCMJP-CYBMUJFWSA-N 0 3 321.377 2.269 20 5 DEBDHN O=[N+]([O-])c1ccc(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001356535900 1152088334 /nfs/dbraw/zinc/08/83/34/1152088334.db2.gz YDMGECBJNLMUCG-OAHLLOKOSA-N 0 3 317.301 2.326 20 5 DEBDHN Cc1ccc(OC(=O)C2CCCN(C3CC3)C2=O)cc1[N+](=O)[O-] ZINC001358119553 1152364831 /nfs/dbraw/zinc/36/48/31/1152364831.db2.gz PYYKUIYCGJCZQG-CYBMUJFWSA-N 0 3 318.329 2.210 20 5 DEBDHN C[C@@H]1CN(C)[C@@H](C)CN1c1ncnc2cc([N+](=O)[O-])ccc21 ZINC001164632247 719189925 /nfs/dbraw/zinc/18/99/25/719189925.db2.gz DQDPTGHNMVOJOA-WDEREUQCSA-N 0 3 301.350 2.067 20 5 DEBDHN CC(C)CN1CCN(c2cnc3ccc([N+](=O)[O-])cc3n2)CC1 ZINC001164653103 719329953 /nfs/dbraw/zinc/32/99/53/719329953.db2.gz PWZDUJARPDTAJJ-UHFFFAOYSA-N 0 3 315.377 2.316 20 5 DEBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN[C@@H](C)[C@H]1C ZINC001122017201 782418878 /nfs/dbraw/zinc/41/88/78/782418878.db2.gz IIUJTWGNJZRCGR-VHSXEESVSA-N 0 3 309.391 2.139 20 5 DEBDHN COC(=O)C1(Nc2cc3c(cc2[N+](=O)[O-])CNC3)CCCC1 ZINC001167714242 778078384 /nfs/dbraw/zinc/07/83/84/778078384.db2.gz GZIZPRMBTCYKJI-UHFFFAOYSA-N 0 3 305.334 2.096 20 5 DEBDHN N=C(N)N(c1ccc(F)cc1)c1cccc2ncc([N+](=O)[O-])n21 ZINC001168000685 779241790 /nfs/dbraw/zinc/24/17/90/779241790.db2.gz SLWFBKVSEUCWJP-UHFFFAOYSA-N 0 3 314.280 2.413 20 5 DEBDHN Cc1csc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)c1 ZINC001126733252 780517327 /nfs/dbraw/zinc/51/73/27/780517327.db2.gz RMWXJJOTEHOTQS-UHFFFAOYSA-N 0 3 319.386 2.484 20 5 DEBDHN O=C(NC[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1)C1CCC1 ZINC001086010703 784314941 /nfs/dbraw/zinc/31/49/41/784314941.db2.gz QWBNYOWBHBKHHW-JNSHFYNHSA-N 0 3 317.389 2.379 20 5 DEBDHN CCCN(C)CC(=O)N(C)CCCNc1ccccc1[N+](=O)[O-] ZINC001109496092 785898718 /nfs/dbraw/zinc/89/87/18/785898718.db2.gz ATVFHAKJDOBAOV-UHFFFAOYSA-N 0 3 322.409 2.197 20 5 DEBDHN C[C@H](Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@@H]1CNCCO1 ZINC001170567591 787644261 /nfs/dbraw/zinc/64/42/61/787644261.db2.gz KOFPDIXFEOCUIG-UFBFGSQYSA-N 0 3 319.283 2.402 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1C[C@H](F)C[C@H](CO)C1)CC2 ZINC001172908875 793524721 /nfs/dbraw/zinc/52/47/21/793524721.db2.gz PBYJIYGIJOFNBH-APHBMKBZSA-N 0 3 322.380 2.495 20 5 DEBDHN CCC1(N[C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])COC1 ZINC001173188028 793622570 /nfs/dbraw/zinc/62/25/70/793622570.db2.gz HVRJHNPNELLXAS-JTQLQIEISA-N 0 3 312.341 2.442 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCN3CC[C@@H]3C2)c1F ZINC001173194588 793624996 /nfs/dbraw/zinc/62/49/96/793624996.db2.gz VWJKCBWIJAZPRT-VXGBXAGGSA-N 0 3 323.368 2.063 20 5 DEBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCC(C)(C)C1 ZINC001119921235 795373431 /nfs/dbraw/zinc/37/34/31/795373431.db2.gz ZESKMJXHUFQIGD-UHFFFAOYSA-N 0 3 320.393 2.098 20 5 DEBDHN Cc1[nH]ccc1C(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001156356117 797982949 /nfs/dbraw/zinc/98/29/49/797982949.db2.gz YNXRQOXQJSMVHG-UHFFFAOYSA-N 0 3 322.390 2.203 20 5 DEBDHN NCc1nn(-c2ncc(Cl)cc2[N+](=O)[O-])c2ccccc12 ZINC001156855806 798095531 /nfs/dbraw/zinc/09/55/31/798095531.db2.gz HHTYGUVHKZJHIF-UHFFFAOYSA-N 0 3 303.709 2.441 20 5 DEBDHN CN(C)C1(C)CN(c2cc([N+](=O)[O-])cc3c(Cl)ncnc32)C1 ZINC001165121750 799656302 /nfs/dbraw/zinc/65/63/02/799656302.db2.gz LDKPHKCKXVLXFP-UHFFFAOYSA-N 0 3 321.768 2.332 20 5 DEBDHN CN(C(=O)CCc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CCCN(C)C1 ZINC000933485765 800107238 /nfs/dbraw/zinc/10/72/38/800107238.db2.gz FYKNFRLZSQTLLN-CQSZACIVSA-N 0 3 323.368 2.219 20 5 DEBDHN O=[N+]([O-])c1ccc(F)cc1CN[C@@H]1CCOC12CCOCC2 ZINC000934409111 800345390 /nfs/dbraw/zinc/34/53/90/800345390.db2.gz UNBHFPQPRDCEQX-CQSZACIVSA-N 0 3 310.325 2.162 20 5 DEBDHN Cc1c(CNC(=O)[C@H]2CCCN2C(C)C)cccc1[N+](=O)[O-] ZINC000935611653 800711911 /nfs/dbraw/zinc/71/19/11/800711911.db2.gz ICTGXKYZXUNKFF-OAHLLOKOSA-N 0 3 305.378 2.392 20 5 DEBDHN CCN1CCC[C@H](Oc2ccc(CC[N+](=O)[O-])cc2OC)C1 ZINC001233986398 802259010 /nfs/dbraw/zinc/25/90/10/802259010.db2.gz KWAHEYPICPZGEW-AWEZNQCLSA-N 0 3 308.378 2.378 20 5 DEBDHN COCCN1CCC(Oc2cc(F)c(F)cc2[N+](=O)[O-])CC1 ZINC001225777969 803012242 /nfs/dbraw/zinc/01/22/42/803012242.db2.gz DYDHLQOPUHVSDD-UHFFFAOYSA-N 0 3 316.304 2.363 20 5 DEBDHN O=c1oc2ccccc2c(O[C@H]2CN3CCC2CC3)c1[N+](=O)[O-] ZINC001228808270 803416573 /nfs/dbraw/zinc/41/65/73/803416573.db2.gz ZUEACMMKABJMQB-ZDUSSCGKSA-N 0 3 316.313 2.174 20 5 DEBDHN COCCCOc1cccc(C(=O)OCC(C)[N+](=O)[O-])c1C ZINC001344996788 1150857463 /nfs/dbraw/zinc/85/74/63/1150857463.db2.gz IUIJXZULWGFFLR-LLVKDONJSA-N 0 3 311.334 2.232 20 5 DEBDHN C[C@@H]1C[C@H](C)C[N@@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001603845331 1070118077 /nfs/dbraw/zinc/11/80/77/1070118077.db2.gz BVDNUOHNSQXSOY-PHIMTYICSA-N 0 3 316.365 2.253 20 5 DEBDHN C[C@@H]1C[C@H](C)C[N@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001603845331 1070118086 /nfs/dbraw/zinc/11/80/86/1070118086.db2.gz BVDNUOHNSQXSOY-PHIMTYICSA-N 0 3 316.365 2.253 20 5 DEBDHN C[C@@H]1C[C@H](C)C[N@@H+](Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001603845331 1070118088 /nfs/dbraw/zinc/11/80/88/1070118088.db2.gz BVDNUOHNSQXSOY-PHIMTYICSA-N 0 3 316.365 2.253 20 5 DEBDHN C[C@@H]1C[C@H](C)C[N@H+](Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001603845331 1070118093 /nfs/dbraw/zinc/11/80/93/1070118093.db2.gz BVDNUOHNSQXSOY-PHIMTYICSA-N 0 3 316.365 2.253 20 5 DEBDHN O=[N+]([O-])c1ccc(CNCc2ccnn2-c2ccncc2)cc1 ZINC001461089206 1058582848 /nfs/dbraw/zinc/58/28/48/1058582848.db2.gz PETCJRAEIIZIJR-UHFFFAOYSA-N 0 3 309.329 2.465 20 5 DEBDHN Cc1c([C@H](C)NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)cnn1C ZINC001329135942 1148868232 /nfs/dbraw/zinc/86/82/32/1148868232.db2.gz VLXLOBHEDQRGMD-ZUZCIYMTSA-N 0 3 304.350 2.021 20 5 DEBDHN Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H](C)N2CCC(C)CC2)n1 ZINC001631420269 1078364139 /nfs/dbraw/zinc/36/41/39/1078364139.db2.gz HGLREURYMSMZST-CYBMUJFWSA-N 0 3 320.393 2.148 20 5 DEBDHN O=[N+]([O-])c1ccc(CCN2CCCC[C@@H]2c2c[nH]nn2)cc1 ZINC001578049281 1066967747 /nfs/dbraw/zinc/96/77/47/1066967747.db2.gz UUZXCZYJHDGDEK-OAHLLOKOSA-N 0 3 301.350 2.483 20 5 DEBDHN COc1cc([N+](=O)[O-])cnc1NC(=O)[C@@H](N)CC1CCCCC1 ZINC001579181145 1067251769 /nfs/dbraw/zinc/25/17/69/1067251769.db2.gz YRWQUDDDHWIWEM-LBPRGKRZSA-N 0 3 322.365 2.235 20 5 DEBDHN CN1C[C@@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC001639135241 1078596435 /nfs/dbraw/zinc/59/64/35/1078596435.db2.gz FPLNMPQYEHSNMI-VIIAAUOXSA-N 0 3 303.362 2.064 20 5 DEBDHN CCN1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2F)C(C)(C)C1 ZINC001639266427 1078604809 /nfs/dbraw/zinc/60/48/09/1078604809.db2.gz LCLFBACWNZCZPS-ZDUSSCGKSA-N 0 3 309.341 2.194 20 5 DEBDHN Cc1cc([N+](=O)[O-])cnc1N1CCN[C@H](c2ccc(O)cc2)C1 ZINC001643125596 1078785134 /nfs/dbraw/zinc/78/51/34/1078785134.db2.gz ISHDXOXPYGOSNP-HNNXBMFYSA-N 0 3 314.345 2.155 20 5 DEBDHN CCCN(CCN1CCCC1)C(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001539708337 1072385452 /nfs/dbraw/zinc/38/54/52/1072385452.db2.gz FKQNZBMFBWEGOQ-UHFFFAOYSA-N 0 3 320.393 2.246 20 5 DEBDHN CCN1C[C@@H](NC(=O)c2cc(C)ccc2[N+](=O)[O-])C(C)(C)C1 ZINC001645341391 1078896753 /nfs/dbraw/zinc/89/67/53/1078896753.db2.gz NRHOZFAGKODDDE-CQSZACIVSA-N 0 3 305.378 2.363 20 5 DEBDHN CN(C)Cc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001556764820 1075043649 /nfs/dbraw/zinc/04/36/49/1075043649.db2.gz ANBQBPWZTRTBNP-UHFFFAOYSA-N 0 3 314.345 2.491 20 5 DEBDHN CC(C)[C@@H]1CCC[N@@H+]1Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589509360 1076494688 /nfs/dbraw/zinc/49/46/88/1076494688.db2.gz PGNHYMYLQXRRID-ZDUSSCGKSA-N 0 3 316.365 2.395 20 5 DEBDHN CC(C)[C@@H]1CCC[N@H+]1Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589509360 1076494693 /nfs/dbraw/zinc/49/46/93/1076494693.db2.gz PGNHYMYLQXRRID-ZDUSSCGKSA-N 0 3 316.365 2.395 20 5 DEBDHN CC(C)[C@@H]1CCC[N@@H+]1Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589509360 1076494697 /nfs/dbraw/zinc/49/46/97/1076494697.db2.gz PGNHYMYLQXRRID-ZDUSSCGKSA-N 0 3 316.365 2.395 20 5 DEBDHN CC(C)[C@@H]1CCC[N@H+]1Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589509360 1076494699 /nfs/dbraw/zinc/49/46/99/1076494699.db2.gz PGNHYMYLQXRRID-ZDUSSCGKSA-N 0 3 316.365 2.395 20 5 DEBDHN CC(C)[NH+](Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(C)C ZINC001589701673 1076506536 /nfs/dbraw/zinc/50/65/36/1076506536.db2.gz SXWOBXACECTVPY-UHFFFAOYSA-N 0 3 304.354 2.394 20 5 DEBDHN C[C@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001590262602 1076603313 /nfs/dbraw/zinc/60/33/13/1076603313.db2.gz WPBRRSBQLDKSEI-NSHDSACASA-N 0 3 316.365 2.397 20 5 DEBDHN C[C@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001590262602 1076603317 /nfs/dbraw/zinc/60/33/17/1076603317.db2.gz WPBRRSBQLDKSEI-NSHDSACASA-N 0 3 316.365 2.397 20 5 DEBDHN C[C@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001590262602 1076603319 /nfs/dbraw/zinc/60/33/19/1076603319.db2.gz WPBRRSBQLDKSEI-NSHDSACASA-N 0 3 316.365 2.397 20 5 DEBDHN C[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001590262602 1076603323 /nfs/dbraw/zinc/60/33/23/1076603323.db2.gz WPBRRSBQLDKSEI-NSHDSACASA-N 0 3 316.365 2.397 20 5 DEBDHN CCN(CC)CC(=O)NC/C=C/CNc1ccccc1[N+](=O)[O-] ZINC001107204023 1080677655 /nfs/dbraw/zinc/67/76/55/1080677655.db2.gz HPDYKNNNTHLYQP-BQYQJAHWSA-N 0 3 320.393 2.021 20 5 DEBDHN C[C@@H](OCCCN1CCN(C)CC1)c1ccccc1[N+](=O)[O-] ZINC001206590383 1138324182 /nfs/dbraw/zinc/32/41/82/1138324182.db2.gz KXIIFESCHOATRA-CQSZACIVSA-N 0 3 307.394 2.310 20 5 DEBDHN CO[C@H]1CC[C@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC001320670542 1140892554 /nfs/dbraw/zinc/89/25/54/1140892554.db2.gz ZHKQBLFXAWWODS-RYUDHWBXSA-N 0 3 308.334 2.023 20 5 DEBDHN CN1CCCC[C@H]1CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001339263994 1143001861 /nfs/dbraw/zinc/00/18/61/1143001861.db2.gz IODDGQQPIKPHTB-AWEZNQCLSA-N 0 3 323.368 2.267 20 5 DEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC(n2cnnc2)CC1 ZINC001254558331 1143247964 /nfs/dbraw/zinc/24/79/64/1143247964.db2.gz FPMQKWJUJYFGBT-ZDUSSCGKSA-N 0 3 315.377 2.454 20 5 DEBDHN C[C@H]1COCCN1CCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001262364608 1144309559 /nfs/dbraw/zinc/30/95/59/1144309559.db2.gz CKWHBLAHVGXLOP-NSHDSACASA-N 0 3 313.785 2.059 20 5 DEBDHN C[C@H](NC(=O)NC[C@H]1CCCCN1C)c1ccccc1[N+](=O)[O-] ZINC001263151437 1144358824 /nfs/dbraw/zinc/35/88/24/1144358824.db2.gz BVFZQAJWGRPFBU-QWHCGFSZSA-N 0 3 320.393 2.439 20 5 DEBDHN C[C@@H](C(=O)N[C@H]1CN(C)CC1(C)C)c1ccc([N+](=O)[O-])cc1F ZINC001303988586 1147341315 /nfs/dbraw/zinc/34/13/15/1147341315.db2.gz IUIVONNRIWJWLH-YGRLFVJLSA-N 0 3 323.368 2.294 20 5 DEBDHN CN(C[C@H]1CCN(C)C1)c1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000278357039 214111282 /nfs/dbraw/zinc/11/12/82/214111282.db2.gz KAMLWCZJWNTXIU-VIFPVBQESA-N 0 3 318.299 2.397 20 5 DEBDHN O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@@H]1CCN(CC2CC2)C1 ZINC000612611680 361872943 /nfs/dbraw/zinc/87/29/43/361872943.db2.gz FHLVBPRDAJRHQI-LLVKDONJSA-N 0 3 322.340 2.340 20 5 DEBDHN CC[C@@]1(CO)CCCN1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000189612926 282314306 /nfs/dbraw/zinc/31/43/06/282314306.db2.gz FSYSRIKZRPXYJI-INIZCTEOSA-N 0 3 324.377 2.219 20 5 DEBDHN CN(C[C@H]1CCCN1C)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000331858277 529966614 /nfs/dbraw/zinc/96/66/14/529966614.db2.gz WLOHGUKNKZHAID-GFCCVEGCSA-N 0 3 316.361 2.242 20 5 DEBDHN CCO[C@@H]1C[C@@H](NCc2cccc([N+](=O)[O-])c2)[C@]12CCCO2 ZINC000272678473 210084072 /nfs/dbraw/zinc/08/40/72/210084072.db2.gz MKUSEGSJDLKGGD-BZUAXINKSA-N 0 3 306.362 2.411 20 5 DEBDHN Cc1c(CN(C)[C@H](C)CN2CCOCC2)cccc1[N+](=O)[O-] ZINC000279653767 215035426 /nfs/dbraw/zinc/03/54/26/215035426.db2.gz BUAZCMNOZATFHL-CYBMUJFWSA-N 0 3 307.394 2.056 20 5 DEBDHN CCOc1ccc([C@H](C)NC[C@@H](COC)OC)cc1[N+](=O)[O-] ZINC000272653554 210060018 /nfs/dbraw/zinc/06/00/18/210060018.db2.gz GCPIFFLEVFSMLJ-AAEUAGOBSA-N 0 3 312.366 2.306 20 5 DEBDHN CCCN(CCN1CCCC1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000287019658 219272377 /nfs/dbraw/zinc/27/23/77/219272377.db2.gz IFKIGYOKXKPUIH-UHFFFAOYSA-N 0 3 321.381 2.330 20 5 DEBDHN C[C@@H](NC(=O)NC1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000194263940 186274561 /nfs/dbraw/zinc/27/45/61/186274561.db2.gz XQIPFQBRKOBVKR-LLVKDONJSA-N 0 3 306.366 2.049 20 5 DEBDHN Cc1noc(CN2CCN(C3CCC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595501113 358466189 /nfs/dbraw/zinc/46/61/89/358466189.db2.gz HOKQOHXYMDOLHL-NSHDSACASA-N 0 3 308.382 2.197 20 5 DEBDHN CCN1CCC(NC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000043126905 354213943 /nfs/dbraw/zinc/21/39/43/354213943.db2.gz JYTBQVJZSTTWMN-UHFFFAOYSA-N 0 3 322.365 2.209 20 5 DEBDHN C[C@H]1CCCN(CCNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000046381265 354281566 /nfs/dbraw/zinc/28/15/66/354281566.db2.gz RRWCIMLIBQIAJV-LBPRGKRZSA-N 0 3 306.366 2.448 20 5 DEBDHN C[C@@H](CN1CCCCC1)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000067725676 354776097 /nfs/dbraw/zinc/77/60/97/354776097.db2.gz PKNMQMGTWZLGLP-ZDUSSCGKSA-N 0 3 320.393 2.268 20 5 DEBDHN CCC1(O)CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000072723881 354916371 /nfs/dbraw/zinc/91/63/71/354916371.db2.gz AJUGSEFJRSBXGG-UHFFFAOYSA-N 0 3 321.377 2.160 20 5 DEBDHN COc1cc(CNC[C@H](OC)C(C)C)c([N+](=O)[O-])cc1OC ZINC000072924860 354930190 /nfs/dbraw/zinc/93/01/90/354930190.db2.gz ACDDKSTXWSKPNY-HNNXBMFYSA-N 0 3 312.366 2.373 20 5 DEBDHN O=[N+]([O-])c1cccc(OCCN2CCC3(C2)CCOCC3)c1 ZINC000076177519 355131889 /nfs/dbraw/zinc/13/18/89/355131889.db2.gz SDRAVFXQBNJAQW-UHFFFAOYSA-N 0 3 306.362 2.476 20 5 DEBDHN CC[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1cnn(C)c1 ZINC000089580928 355536565 /nfs/dbraw/zinc/53/65/65/355536565.db2.gz CLLFWTWBAMEPCW-OAHLLOKOSA-N 0 3 304.350 2.448 20 5 DEBDHN Cn1ncc2c1CCC[C@H]2NCCOc1ccc([N+](=O)[O-])cc1 ZINC000089580533 355536941 /nfs/dbraw/zinc/53/69/41/355536941.db2.gz XAKOMYVKFVNJRF-OAHLLOKOSA-N 0 3 316.361 2.374 20 5 DEBDHN O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H]1CCN(CC2CC2)C1 ZINC000087329468 355508400 /nfs/dbraw/zinc/50/84/00/355508400.db2.gz ZXWDWDKOXORTLV-HNNXBMFYSA-N 0 3 317.389 2.128 20 5 DEBDHN O=[N+]([O-])c1cccc(F)c1CN1CCN(c2ccncc2)CC1 ZINC000125261786 355811455 /nfs/dbraw/zinc/81/14/55/355811455.db2.gz CXBDZEKNGYGZIA-UHFFFAOYSA-N 0 3 316.336 2.451 20 5 DEBDHN C[C@@H](C[S@@](C)=O)N(C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000126334224 355816133 /nfs/dbraw/zinc/81/61/33/355816133.db2.gz PWSWKLNCALJNLQ-QKVFXAPYSA-N 0 3 314.407 2.063 20 5 DEBDHN CC[C@@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000182384258 356124653 /nfs/dbraw/zinc/12/46/53/356124653.db2.gz FXACEIYCZRXPCF-CABCVRRESA-N 0 3 321.377 2.105 20 5 DEBDHN C[C@H]1C[C@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)CCN1C ZINC000316863566 356431372 /nfs/dbraw/zinc/43/13/72/356431372.db2.gz VTALHZYRKBKIIM-WDEREUQCSA-N 0 3 301.350 2.433 20 5 DEBDHN COCC(C)(C)N1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000425500007 283210046 /nfs/dbraw/zinc/21/00/46/283210046.db2.gz AGOKWEBLAPUUJW-UHFFFAOYSA-N 0 3 321.421 2.180 20 5 DEBDHN CCn1nc(C)c([N+](=O)[O-])c1N1C[C@H](N2CCCC2)C[C@H]1C ZINC000588071906 357392032 /nfs/dbraw/zinc/39/20/32/357392032.db2.gz UQHAZJPMESQJLM-DGCLKSJQSA-N 0 3 307.398 2.183 20 5 DEBDHN CC(C)C[C@@H](CN1CCCC1)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000590773922 357608681 /nfs/dbraw/zinc/60/86/81/357608681.db2.gz JXLYOYIQXQHBFR-ZDUSSCGKSA-N 0 3 322.409 2.174 20 5 DEBDHN C[C@@H]1C[C@@H](CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@@H](C)O1 ZINC000591265387 357696346 /nfs/dbraw/zinc/69/63/46/357696346.db2.gz HFECWTKFKUASHB-UTUOFQBUSA-N 0 3 322.361 2.269 20 5 DEBDHN CCO[C@@H]1CCC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000452016709 283285257 /nfs/dbraw/zinc/28/52/57/283285257.db2.gz OEGWCQCEIISQBK-HUUCEWRRSA-N 0 3 321.377 2.389 20 5 DEBDHN CNC(=O)CCN(C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000179410927 199030591 /nfs/dbraw/zinc/03/05/91/199030591.db2.gz ZLWOGDCNVOHUJC-UHFFFAOYSA-N 0 3 317.345 2.423 20 5 DEBDHN C[C@H](NC[C@@H]1COC2(CCOCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000179988036 199102750 /nfs/dbraw/zinc/10/27/50/199102750.db2.gz ZILRSWASMRHNBU-SWLSCSKDSA-N 0 3 322.361 2.168 20 5 DEBDHN CCN1CCCC[C@H]1CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593461007 358083362 /nfs/dbraw/zinc/08/33/62/358083362.db2.gz FUHDYADAIIHJGP-AWEZNQCLSA-N 0 3 323.368 2.267 20 5 DEBDHN CC(C)N1CCC[C@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593613599 358111169 /nfs/dbraw/zinc/11/11/69/358111169.db2.gz UEAIOTDIZDBYEW-AWEZNQCLSA-N 0 3 323.368 2.265 20 5 DEBDHN CNc1c(C(=O)N(C)CCN2CCCCC2)cccc1[N+](=O)[O-] ZINC000593882665 358163877 /nfs/dbraw/zinc/16/38/77/358163877.db2.gz JMLHINNLIXYABO-UHFFFAOYSA-N 0 3 320.393 2.194 20 5 DEBDHN C[S@](=O)[C@H]1CCC[C@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000594961091 358369360 /nfs/dbraw/zinc/36/93/60/358369360.db2.gz LFNXAPJHNZBGAG-ADWYPQAOSA-N 0 3 302.421 2.436 20 5 DEBDHN O=C(NCc1ccc([N+](=O)[O-])cc1)c1cc2c(s1)CCNC2 ZINC000595920250 358581447 /nfs/dbraw/zinc/58/14/47/358581447.db2.gz OZVKYRXFGPFPLV-UHFFFAOYSA-N 0 3 317.370 2.232 20 5 DEBDHN C[C@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])[C@H]1CCO ZINC000595703597 358528638 /nfs/dbraw/zinc/52/86/38/358528638.db2.gz UQIDVHBUGIHGIR-KBPBESRZSA-N 0 3 308.378 2.457 20 5 DEBDHN C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596077163 358604788 /nfs/dbraw/zinc/60/47/88/358604788.db2.gz LLVLHWGKYGKEFZ-TXEJJXNPSA-N 0 3 308.382 2.475 20 5 DEBDHN C[C@@H]1C[C@H](C)C[N@H+](CCCNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596077163 358604792 /nfs/dbraw/zinc/60/47/92/358604792.db2.gz LLVLHWGKYGKEFZ-TXEJJXNPSA-N 0 3 308.382 2.475 20 5 DEBDHN CS[C@@H]1CN(c2cc(C)sc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000596179385 358632306 /nfs/dbraw/zinc/63/23/06/358632306.db2.gz PHBQTGQVNCBPLQ-WDEREUQCSA-N 0 3 301.437 2.447 20 5 DEBDHN O=[N+]([O-])c1ccccc1/C=C/CN(CCOCCO)C1CCC1 ZINC000597205497 358853623 /nfs/dbraw/zinc/85/36/23/358853623.db2.gz GCKALWNWVWIVNQ-GQCTYLIASA-N 0 3 320.389 2.471 20 5 DEBDHN CCCN1CC[C@@H](NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000598342821 359170352 /nfs/dbraw/zinc/17/03/52/359170352.db2.gz QJAVBMOQKYAGAR-TZMCWYRMSA-N 0 3 305.378 2.299 20 5 DEBDHN Cc1cc(NCCN(C)CC(F)F)c2cc([N+](=O)[O-])ccc2n1 ZINC000599201553 359431652 /nfs/dbraw/zinc/43/16/52/359431652.db2.gz DSKFVVYHFWCFHR-UHFFFAOYSA-N 0 3 324.331 2.482 20 5 DEBDHN CCC[C@H](NCCN1CC[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000599084621 359398885 /nfs/dbraw/zinc/39/88/85/359398885.db2.gz CRZWRKJCTNWFTI-CVEARBPZSA-N 0 3 307.394 2.092 20 5 DEBDHN COC(=O)c1ccc([N+](=O)[O-])c(NCCN2CCCCCC2)n1 ZINC000281002385 216014502 /nfs/dbraw/zinc/01/45/02/216014502.db2.gz PRPQSUUTGKZMSA-UHFFFAOYSA-N 0 3 322.365 2.064 20 5 DEBDHN CN[C@@H](CO)c1cccc(-c2cc([N+](=O)[O-])ccc2CO)c1 ZINC000600782582 359827204 /nfs/dbraw/zinc/82/72/04/359827204.db2.gz NTWIZHHVCKFVJN-INIZCTEOSA-N 0 3 302.330 2.007 20 5 DEBDHN O=[N+]([O-])c1cc2c(cc1CNC[C@@H]1CCSC1)OCCO2 ZINC000619198326 363731572 /nfs/dbraw/zinc/73/15/72/363731572.db2.gz YGRWBLFHECVKNB-JTQLQIEISA-N 0 3 310.375 2.209 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(c2ccncc2)CC1 ZINC000602822891 360572665 /nfs/dbraw/zinc/57/26/65/360572665.db2.gz UBXOPGKXDKZMSE-UHFFFAOYSA-N 0 3 315.377 2.374 20 5 DEBDHN O=[N+]([O-])c1cnn(CCNCc2ccc(OCC3CC3)cc2)c1 ZINC000191364749 200680610 /nfs/dbraw/zinc/68/06/10/200680610.db2.gz RNQHFAHTLYOZFV-UHFFFAOYSA-N 0 3 316.361 2.370 20 5 DEBDHN CN(CCCOCc1ccccc1)CCn1ccc([N+](=O)[O-])n1 ZINC000281357766 216247208 /nfs/dbraw/zinc/24/72/08/216247208.db2.gz LAXSIVMXLLOBDE-UHFFFAOYSA-N 0 3 318.377 2.330 20 5 DEBDHN O=[N+]([O-])c1ccccc1OCCN1CC[C@H](O)C12CCCC2 ZINC000292651691 223184875 /nfs/dbraw/zinc/18/48/75/223184875.db2.gz HYKPSIMZHVYSAW-HNNXBMFYSA-N 0 3 306.362 2.353 20 5 DEBDHN COc1ccc(OCCN2CCC[C@H](CCO)C2)c([N+](=O)[O-])c1 ZINC000610368725 361390738 /nfs/dbraw/zinc/39/07/38/361390738.db2.gz GNUVDSLWPYVKRY-CYBMUJFWSA-N 0 3 324.377 2.077 20 5 DEBDHN CCN(C[C@@H]1CCOC1)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000611204900 361547104 /nfs/dbraw/zinc/54/71/04/361547104.db2.gz APFFQTUGJZXCFW-STQMWFEESA-N 0 3 321.377 2.280 20 5 DEBDHN C[C@H](NCCN1C[C@H]2CC[C@@H](C1)O2)c1ccccc1[N+](=O)[O-] ZINC000611433016 361598740 /nfs/dbraw/zinc/59/87/40/361598740.db2.gz PNKPFAGANGYZBC-MELADBBJSA-N 0 3 305.378 2.109 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CCO[C@@H]1c1nccn1C ZINC000275450224 212339583 /nfs/dbraw/zinc/33/95/83/212339583.db2.gz GLHXNOBNSVEPDN-GJZGRUSLSA-N 0 3 316.361 2.257 20 5 DEBDHN CC(C)N1CC[C@H](N[C@H](C)Cc2ccccc2[N+](=O)[O-])C1=O ZINC000449153331 240128155 /nfs/dbraw/zinc/12/81/55/240128155.db2.gz CZDWETVHYWVXRL-OCCSQVGLSA-N 0 3 305.378 2.125 20 5 DEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000449172661 240159264 /nfs/dbraw/zinc/15/92/64/240159264.db2.gz WDDPVUXDZOUGHZ-NCZKRNLISA-N 0 3 317.389 2.125 20 5 DEBDHN C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CCN1C ZINC000091437636 193056120 /nfs/dbraw/zinc/05/61/20/193056120.db2.gz RGSCNHSCPMJRNP-UWVGGRQHSA-N 0 3 311.769 2.461 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1CN[C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000451611157 243202735 /nfs/dbraw/zinc/20/27/35/243202735.db2.gz LFBJFCUUTGGOGJ-DOTOQJQBSA-N 0 3 320.389 2.490 20 5 DEBDHN C[C@@H](NC[C@H]1CCCN1CCCO)c1cccc([N+](=O)[O-])c1 ZINC000453264072 245034191 /nfs/dbraw/zinc/03/41/91/245034191.db2.gz UPDDEVNGBXEHAH-CZUORRHYSA-N 0 3 307.394 2.092 20 5 DEBDHN CCN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000019995340 182175655 /nfs/dbraw/zinc/17/56/55/182175655.db2.gz FYWQUESZFPOWSF-LLVKDONJSA-N 0 3 311.769 2.462 20 5 DEBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000160231961 197394177 /nfs/dbraw/zinc/39/41/77/197394177.db2.gz UOGQWGPQQIXZLN-WFASDCNBSA-N 0 3 313.361 2.317 20 5 DEBDHN C[C@@H](NC(=O)NC(C)(C)CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000457856983 248045616 /nfs/dbraw/zinc/04/56/16/248045616.db2.gz SYCSWSCKLRBMBX-LLVKDONJSA-N 0 3 308.382 2.295 20 5 DEBDHN CC(C)[C@@H]1CN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CCN1C ZINC000493565973 249325837 /nfs/dbraw/zinc/32/58/37/249325837.db2.gz YQJNVCROBKWWCL-PTZVLDCSSA-N 0 3 317.389 2.407 20 5 DEBDHN C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cn2)CN1Cc1ccccc1 ZINC000274007992 211265386 /nfs/dbraw/zinc/26/53/86/211265386.db2.gz UOJDRBPLOZAMFF-OCCSQVGLSA-N 0 3 313.361 2.460 20 5 DEBDHN CC1(C)CC[C@@H]1N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000554522955 291767509 /nfs/dbraw/zinc/76/75/09/291767509.db2.gz SIKHQZUALSBBSI-KGLIPLIRSA-N 0 3 303.362 2.478 20 5 DEBDHN O=[N+]([O-])c1ccc2oc(CN[C@@H]3CCC[C@H]3CCO)nc2c1 ZINC000286242937 218869689 /nfs/dbraw/zinc/86/96/89/218869689.db2.gz RWJGWFXFZZORKN-CMPLNLGQSA-N 0 3 305.334 2.377 20 5 DEBDHN CCC(CC)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000272929504 210315285 /nfs/dbraw/zinc/31/52/85/210315285.db2.gz KSXJPFHIJYAGAH-UHFFFAOYSA-N 0 3 300.380 2.147 20 5 DEBDHN O=[N+]([O-])c1ccccc1N1CCN(C[C@H]2CCCOC2)CC1 ZINC000332361017 285163238 /nfs/dbraw/zinc/16/32/38/285163238.db2.gz JJQAGUAPTSSUPP-CQSZACIVSA-N 0 3 305.378 2.143 20 5 DEBDHN C[C@H](CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)N1CCCC1 ZINC000541774914 285184965 /nfs/dbraw/zinc/18/49/65/285184965.db2.gz LPQYAXBKYOQIAQ-VXGBXAGGSA-N 0 3 323.368 2.438 20 5 DEBDHN CN1CCC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000542762381 285247359 /nfs/dbraw/zinc/24/73/59/285247359.db2.gz KEFAMSNPLDYEFA-SNVBAGLBSA-N 0 3 310.329 2.197 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@](C)(O)CSC ZINC000120615344 195202929 /nfs/dbraw/zinc/20/29/29/195202929.db2.gz BSIRWYFOHHUBMI-AWEZNQCLSA-N 0 3 314.407 2.197 20 5 DEBDHN O=C1[C@@H](NC2(C3CC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000544415892 285348395 /nfs/dbraw/zinc/34/83/95/285348395.db2.gz WVQOWBLXMIVNPN-AWEZNQCLSA-N 0 3 301.346 2.232 20 5 DEBDHN O=C1[C@H](NC2(C3CC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000544415893 285348538 /nfs/dbraw/zinc/34/85/38/285348538.db2.gz WVQOWBLXMIVNPN-CQSZACIVSA-N 0 3 301.346 2.232 20 5 DEBDHN COC(=O)COc1ccc(CN(C)[C@H](C)C2CC2)cc1[N+](=O)[O-] ZINC000355603335 133036874 /nfs/dbraw/zinc/03/68/74/133036874.db2.gz XOLUMEMZGAJPQQ-LLVKDONJSA-N 0 3 322.361 2.377 20 5 DEBDHN C[C@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCCOC1 ZINC000355781368 133047562 /nfs/dbraw/zinc/04/75/62/133047562.db2.gz WUTAUGZBMBDARE-RYUDHWBXSA-N 0 3 322.361 2.366 20 5 DEBDHN CNC(=O)[C@@H]1CCC[C@H]1N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000358262943 133132158 /nfs/dbraw/zinc/13/21/58/133132158.db2.gz FWLHZPLMBXWZAT-IACUBPJLSA-N 0 3 305.378 2.469 20 5 DEBDHN CSc1cccc(C(=O)N(C)CCN2CCCC2)c1[N+](=O)[O-] ZINC000362757240 133249755 /nfs/dbraw/zinc/24/97/55/133249755.db2.gz GNJDEGXYCXPMIU-UHFFFAOYSA-N 0 3 323.418 2.485 20 5 DEBDHN CC(C)N1CC[C@@H](N(C)C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000563022307 292025650 /nfs/dbraw/zinc/02/56/50/292025650.db2.gz IOYQRZVWGSUROW-OAHLLOKOSA-N 0 3 320.393 2.219 20 5 DEBDHN CC1(C)CN(CCN[C@H]2CCc3c2cccc3[N+](=O)[O-])CCO1 ZINC000563417176 292055360 /nfs/dbraw/zinc/05/53/60/292055360.db2.gz JKEOLYIQLVXQIL-HNNXBMFYSA-N 0 3 319.405 2.283 20 5 DEBDHN CNC(=O)[C@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255669859 145204621 /nfs/dbraw/zinc/20/46/21/145204621.db2.gz IEHOUVPNZIYJAV-ZBKLQPJUSA-N 0 3 303.362 2.066 20 5 DEBDHN Nc1cccc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000261748542 145222743 /nfs/dbraw/zinc/22/27/43/145222743.db2.gz VWGCKXWEWBIYQB-CQSZACIVSA-N 0 3 313.361 2.258 20 5 DEBDHN Cc1cc(OC[C@@H](O)CN(C)C2CC2)c(Cl)cc1[N+](=O)[O-] ZINC000315417465 145359921 /nfs/dbraw/zinc/35/99/21/145359921.db2.gz VDMZDCFBRQNQJD-NSHDSACASA-N 0 3 314.769 2.391 20 5 DEBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H](N)Cc1ccccc1 ZINC000320586398 145374662 /nfs/dbraw/zinc/37/46/62/145374662.db2.gz AEJMKWJKHAAKMH-OAHLLOKOSA-N 0 3 313.357 2.123 20 5 DEBDHN C[C@@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cnn(C)c1 ZINC000348321676 146254560 /nfs/dbraw/zinc/25/45/60/146254560.db2.gz NHXCNRSPNJEONE-LLVKDONJSA-N 0 3 317.349 2.008 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000370287737 148003112 /nfs/dbraw/zinc/00/31/12/148003112.db2.gz JJRNKHZJRJWVHM-GJZGRUSLSA-N 0 3 303.362 2.146 20 5 DEBDHN C[C@H](N[C@@H]1CCO[C@H]1C1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000375435471 148372813 /nfs/dbraw/zinc/37/28/13/148372813.db2.gz FFZALNUNUDUFEQ-VQISRLSMSA-N 0 3 319.361 2.079 20 5 DEBDHN CCCCN(C)CCNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000112444966 401745380 /nfs/dbraw/zinc/74/53/80/401745380.db2.gz LXEPIIPACBVQPQ-UHFFFAOYSA-N 0 3 322.409 2.168 20 5 DEBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N(CCN(C)C)C1CCCC1 ZINC000112916081 401761635 /nfs/dbraw/zinc/76/16/35/401761635.db2.gz BUTNLIZMPODLFX-UHFFFAOYSA-N 0 3 320.393 2.245 20 5 DEBDHN COCCOC[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000075953224 401774778 /nfs/dbraw/zinc/77/47/78/401774778.db2.gz KTYJJELFIPBLHS-AWEZNQCLSA-N 0 3 308.378 2.388 20 5 DEBDHN C[C@H](CN1CCCCC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000130772746 401838619 /nfs/dbraw/zinc/83/86/19/401838619.db2.gz CXHUCWYGGDZDIF-GFCCVEGCSA-N 0 3 323.368 2.267 20 5 DEBDHN C[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(-n2cnnn2)cc1 ZINC000089513243 401950911 /nfs/dbraw/zinc/95/09/11/401950911.db2.gz NVHASIQCUCDNHE-GFCCVEGCSA-N 0 3 324.344 2.421 20 5 DEBDHN C[C@H](CN1CCOCC1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000049963655 402023304 /nfs/dbraw/zinc/02/33/04/402023304.db2.gz YHCVPXNNUNXUJL-LLVKDONJSA-N 0 3 313.785 2.059 20 5 DEBDHN CCOc1ccc([C@H](C)NCCCNC(C)=O)cc1[N+](=O)[O-] ZINC000152709859 402104766 /nfs/dbraw/zinc/10/47/66/402104766.db2.gz ZWSGHBDSZJUCQW-NSHDSACASA-N 0 3 309.366 2.170 20 5 DEBDHN CC(C)N(CCN(C)C)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000151888161 402063723 /nfs/dbraw/zinc/06/37/23/402063723.db2.gz IIKCZDDJKOQOHX-CMDGGOBGSA-N 0 3 305.378 2.407 20 5 DEBDHN O=C(NC1CCN(C2CC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000054151905 402063776 /nfs/dbraw/zinc/06/37/76/402063776.db2.gz WQYKWWDVAADLGX-UHFFFAOYSA-N 0 3 307.325 2.091 20 5 DEBDHN CCN1CCC[C@@H]1CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000066968852 402148342 /nfs/dbraw/zinc/14/83/42/402148342.db2.gz RYFIDNBRNPHUFS-XVJNWHFHSA-N 0 3 303.362 2.209 20 5 DEBDHN CCN1CCC[C@@H]1CNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000067178960 402153915 /nfs/dbraw/zinc/15/39/15/402153915.db2.gz ORCAOJVYWMHQJZ-ATWMFIQVSA-N 0 3 303.362 2.209 20 5 DEBDHN CCN1CCCC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000154000000 402186108 /nfs/dbraw/zinc/18/61/08/402186108.db2.gz OMJIYQSMSNDEJM-CQSZACIVSA-N 0 3 323.368 2.267 20 5 DEBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000106785571 402216046 /nfs/dbraw/zinc/21/60/46/402216046.db2.gz VZDFMQMSNMAJCS-GFCCVEGCSA-N 0 3 318.377 2.045 20 5 DEBDHN CC(C)CCOC1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176210598 402290808 /nfs/dbraw/zinc/29/08/08/402290808.db2.gz GSZXXYGANCAWBK-UHFFFAOYSA-N 0 3 310.398 2.318 20 5 DEBDHN CCOC[C@@H]1CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000176307003 402298439 /nfs/dbraw/zinc/29/84/39/402298439.db2.gz RKDCRMAIBRRHAX-CYBMUJFWSA-N 0 3 324.377 2.341 20 5 DEBDHN C[C@@H]1C[C@@H](NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000177054028 402364452 /nfs/dbraw/zinc/36/44/52/402364452.db2.gz MKVZFLGFECSSIO-VMIDCOPPSA-N 0 3 315.373 2.349 20 5 DEBDHN CCOC(=O)N1CC[C@@H](NCc2ccc([N+](=O)[O-])cc2C)C1 ZINC000185773342 402376021 /nfs/dbraw/zinc/37/60/21/402376021.db2.gz PLFDUFDCXLKXNE-CYBMUJFWSA-N 0 3 307.350 2.224 20 5 DEBDHN C[C@]1(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CCCCN1 ZINC000237538238 402412119 /nfs/dbraw/zinc/41/21/19/402412119.db2.gz VFVKQEMEWUMKBK-MRXNPFEDSA-N 0 3 303.362 2.012 20 5 DEBDHN CCOc1cc(NC[C@@H](O)CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000178346187 402487538 /nfs/dbraw/zinc/48/75/38/402487538.db2.gz YIFQJDBHMNECRF-CQSZACIVSA-N 0 3 323.393 2.252 20 5 DEBDHN COC(=O)C1CCC(NCc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000192441851 402729362 /nfs/dbraw/zinc/72/93/62/402729362.db2.gz GCOVGHPVTXQJDA-UHFFFAOYSA-N 0 3 322.361 2.425 20 5 DEBDHN Cc1ccc([C@H](C)NC(=O)NC2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000175555981 402817572 /nfs/dbraw/zinc/81/75/72/402817572.db2.gz YEOHFFREASJZMG-LBPRGKRZSA-N 0 3 320.393 2.358 20 5 DEBDHN CCN(CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000273449615 403005792 /nfs/dbraw/zinc/00/57/92/403005792.db2.gz KUWSDMMJXHBNHB-UHFFFAOYSA-N 0 3 310.329 2.340 20 5 DEBDHN CCN(CC)[C@@H](CNc1ncc([N+](=O)[O-])cn1)c1ccco1 ZINC000273578974 403017029 /nfs/dbraw/zinc/01/70/29/403017029.db2.gz FKXJBTLILDMAFS-LBPRGKRZSA-N 0 3 305.338 2.473 20 5 DEBDHN Cc1cccc(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000268154972 403055301 /nfs/dbraw/zinc/05/53/01/403055301.db2.gz HAMXUGDVKDTZMV-RISCZKNCSA-N 0 3 303.362 2.116 20 5 DEBDHN Cc1cccc(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000268154968 403055499 /nfs/dbraw/zinc/05/54/99/403055499.db2.gz HAMXUGDVKDTZMV-BXUZGUMPSA-N 0 3 303.362 2.116 20 5 DEBDHN CCc1ccc(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000268280136 403069993 /nfs/dbraw/zinc/06/99/93/403069993.db2.gz XAOQUWGBLSSSIZ-XHDPSFHLSA-N 0 3 317.389 2.370 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CCC[C@@H]1C ZINC000281878894 403100871 /nfs/dbraw/zinc/10/08/71/403100871.db2.gz AFLQCDYZPLFRTO-JQWIXIFHSA-N 0 3 307.350 2.320 20 5 DEBDHN CN(C)[C@@]1(CNc2ncc(Cl)cc2[N+](=O)[O-])CCSC1 ZINC000269388989 403135895 /nfs/dbraw/zinc/13/58/95/403135895.db2.gz RLEACDGRVMWJJQ-GFCCVEGCSA-N 0 3 316.814 2.492 20 5 DEBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@H](c3ncc[nH]3)C2)c1 ZINC000269663564 403155205 /nfs/dbraw/zinc/15/52/05/403155205.db2.gz REPSGDNTDXPBOE-DZGCQCFKSA-N 0 3 316.361 2.231 20 5 DEBDHN O=C1NC(CC(F)(F)F)C(=O)N1c1ccc([N+](=O)[O-])cc1F ZINC000277466646 403220802 /nfs/dbraw/zinc/22/08/02/403220802.db2.gz UMFWNJQZZJUPRP-SSDOTTSWSA-N 0 3 321.186 2.111 20 5 DEBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCCN1C1CC1 ZINC000277494918 403223817 /nfs/dbraw/zinc/22/38/17/403223817.db2.gz JRIBUACYBOYISM-MRXNPFEDSA-N 0 3 317.389 2.270 20 5 DEBDHN CN(CCN(C)C1CC1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284259670 403257976 /nfs/dbraw/zinc/25/79/76/403257976.db2.gz WTSZKHIVFWATRD-UHFFFAOYSA-N 0 3 308.338 2.029 20 5 DEBDHN O=[N+]([O-])c1ccc(CN[C@H](CO)Cc2ccc(F)cc2)cc1 ZINC000271164601 403271751 /nfs/dbraw/zinc/27/17/51/403271751.db2.gz BBAXNGZMQSFGKO-HNNXBMFYSA-N 0 3 304.321 2.427 20 5 DEBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000285646692 403348191 /nfs/dbraw/zinc/34/81/91/403348191.db2.gz DNJVKOCZPCLTOG-DGCLKSJQSA-N 0 3 321.352 2.433 20 5 DEBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCOC[C@H](C3CCC3)C2)c1 ZINC000292199990 403319746 /nfs/dbraw/zinc/31/97/46/403319746.db2.gz SCSOOJNXYIBMHC-NVXWUHKLSA-N 0 3 320.389 2.377 20 5 DEBDHN CC[C@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)N(C)C ZINC000298569292 403416121 /nfs/dbraw/zinc/41/61/21/403416121.db2.gz KHOZGMQPQMPVGA-OAHLLOKOSA-N 0 3 305.378 2.426 20 5 DEBDHN CC(=O)N1CC[C@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000332010280 403463944 /nfs/dbraw/zinc/46/39/44/403463944.db2.gz FNXWOZOORVCHSR-XJKSGUPXSA-N 0 3 303.362 2.183 20 5 DEBDHN CC(C)(CO)[C@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000339727092 403431637 /nfs/dbraw/zinc/43/16/37/403431637.db2.gz BXZZLDSJKXUVHG-OAHLLOKOSA-N 0 3 318.377 2.358 20 5 DEBDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000299157873 403536608 /nfs/dbraw/zinc/53/66/08/403536608.db2.gz SZIBQUQIDDTTSY-TUAOUCFPSA-N 0 3 309.366 2.284 20 5 DEBDHN CCc1ccc(C(=O)N[C@H]2CCCN(C)[C@H]2C)cc1[N+](=O)[O-] ZINC000343420287 403581383 /nfs/dbraw/zinc/58/13/83/403581383.db2.gz AHKNOCMZAQQETK-FZMZJTMJSA-N 0 3 305.378 2.370 20 5 DEBDHN CCN1CCN([C@H](C)CNc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000301521136 403641460 /nfs/dbraw/zinc/64/14/60/403641460.db2.gz LLVUGKLGBDCQRJ-GFCCVEGCSA-N 0 3 310.373 2.172 20 5 DEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC[C@@H](OCCO)C1 ZINC000347340632 403671250 /nfs/dbraw/zinc/67/12/50/403671250.db2.gz PDXCMNWSYSJRBN-IDKBZEPQSA-N 0 3 320.389 2.471 20 5 DEBDHN CCCN(CCN1CCN(CC)CC1)c1ccccc1[N+](=O)[O-] ZINC000341051796 403752927 /nfs/dbraw/zinc/75/29/27/403752927.db2.gz OTWMQJXMIDEPTR-UHFFFAOYSA-N 0 3 320.437 2.449 20 5 DEBDHN CCCN(CCN1CCCCCC1)c1c([N+](=O)[O-])ncn1C ZINC000341069215 403759488 /nfs/dbraw/zinc/75/94/88/403759488.db2.gz LRSOWNAWBDVSLW-UHFFFAOYSA-N 0 3 309.414 2.421 20 5 DEBDHN COc1cc(CNCC[C@@H](C)CCO)c([N+](=O)[O-])cc1OC ZINC000295178933 403785931 /nfs/dbraw/zinc/78/59/31/403785931.db2.gz VKILVRBJKSWNQS-LLVKDONJSA-N 0 3 312.366 2.110 20 5 DEBDHN CC(C)Oc1cc(C(=O)NC[C@H]2CCCN2C)ccc1[N+](=O)[O-] ZINC000411613608 403912386 /nfs/dbraw/zinc/91/23/86/403912386.db2.gz CGRVBYNUAWWHAM-CYBMUJFWSA-N 0 3 321.377 2.206 20 5 DEBDHN O=C(N[C@@H]1CCN(C2CCCC2)C1)c1csc([N+](=O)[O-])c1 ZINC000369067953 403955808 /nfs/dbraw/zinc/95/58/08/403955808.db2.gz VPHIAQDUSWSRGL-LLVKDONJSA-N 0 3 309.391 2.403 20 5 DEBDHN C[C@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1O ZINC000351921725 404008133 /nfs/dbraw/zinc/00/81/33/404008133.db2.gz SZXBPKCMCHICAR-SMDDNHRTSA-N 0 3 317.345 2.105 20 5 DEBDHN C[C@@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1O ZINC000351921724 404008968 /nfs/dbraw/zinc/00/89/68/404008968.db2.gz SZXBPKCMCHICAR-RISCZKNCSA-N 0 3 317.345 2.105 20 5 DEBDHN CN(CC1CCN(C)CC1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344253761 404010690 /nfs/dbraw/zinc/01/06/90/404010690.db2.gz IMOWJQHEWDQRQS-UHFFFAOYSA-N 0 3 309.341 2.148 20 5 DEBDHN C[C@@](O)(CNCc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 ZINC000344413841 404117953 /nfs/dbraw/zinc/11/79/53/404117953.db2.gz VQQNEMNLCAHEPS-CQSZACIVSA-N 0 3 316.304 2.447 20 5 DEBDHN C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000412126605 404148521 /nfs/dbraw/zinc/14/85/21/404148521.db2.gz FBSCNKLNJGTCSK-XABYNWHXSA-N 0 3 317.389 2.297 20 5 DEBDHN CN(C[C@@H](O)COc1cc(F)c([N+](=O)[O-])cc1Cl)C1CC1 ZINC000290797834 404316813 /nfs/dbraw/zinc/31/68/13/404316813.db2.gz PELSEHWARHRRGP-SECBINFHSA-N 0 3 318.732 2.221 20 5 DEBDHN Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[C@]3(CCN(C)C3)C2)c1F ZINC000297659250 404581387 /nfs/dbraw/zinc/58/13/87/404581387.db2.gz BOIJFZVMPQECAL-INIZCTEOSA-N 0 3 321.352 2.210 20 5 DEBDHN CCCCN(C)CCNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000352711336 404566525 /nfs/dbraw/zinc/56/65/25/404566525.db2.gz AYBZOGBKFDFIPB-UHFFFAOYSA-N 0 3 322.409 2.468 20 5 DEBDHN COC(=O)COc1ccc(CNC2(C)CCC2)cc1[N+](=O)[O-] ZINC000353196223 404766320 /nfs/dbraw/zinc/76/63/20/404766320.db2.gz WMOVJDRFMBNCKK-UHFFFAOYSA-N 0 3 308.334 2.179 20 5 DEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000415733088 404925892 /nfs/dbraw/zinc/92/58/92/404925892.db2.gz AQLKGGQBXNEOBT-QWRGUYRKSA-N 0 3 306.366 2.371 20 5 DEBDHN C[C@@H]1CCN(C)CCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000354021713 405007169 /nfs/dbraw/zinc/00/71/69/405007169.db2.gz YSJPCBIEVYVZDZ-LLVKDONJSA-N 0 3 316.361 2.242 20 5 DEBDHN CO[C@@H]1CCC[C@H]1N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000451633241 405016185 /nfs/dbraw/zinc/01/61/85/405016185.db2.gz QNZXHUWPLMBEBP-ZKYQVNSYSA-N 0 3 307.350 2.079 20 5 DEBDHN Cc1ccc(NC(=O)N2CC[C@H]3CCN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000378491732 404981210 /nfs/dbraw/zinc/98/12/10/404981210.db2.gz GMAZOBVPZOTACS-IUODEOHRSA-N 0 3 318.377 2.461 20 5 DEBDHN CN1CC[C@@H]2CN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000452979062 405268732 /nfs/dbraw/zinc/26/87/32/405268732.db2.gz SWZMWZHBDBXROQ-DOMZBBRYSA-N 0 3 317.389 2.035 20 5 DEBDHN O=[N+]([O-])c1ccn(CCN2CC3(CCC3)[C@H]2C2CCOCC2)n1 ZINC000425556678 405302418 /nfs/dbraw/zinc/30/24/18/405302418.db2.gz VGVRWBMDJSOXJZ-OAHLLOKOSA-N 0 3 320.393 2.072 20 5 DEBDHN O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@@H](c2nc[nH]n2)C1 ZINC000425555340 405302478 /nfs/dbraw/zinc/30/24/78/405302478.db2.gz XWHWRCMZGRYCEU-SNVBAGLBSA-N 0 3 307.741 2.356 20 5 DEBDHN O=[N+]([O-])c1ccccc1OCCN1CCC[C@@H](CCO)CC1 ZINC000421019245 405431882 /nfs/dbraw/zinc/43/18/82/405431882.db2.gz PERDXGUCGZYGBH-CQSZACIVSA-N 0 3 308.378 2.458 20 5 DEBDHN CC[C@@H](NCc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H](C)O ZINC000449543271 405606026 /nfs/dbraw/zinc/60/60/26/405606026.db2.gz ODGQOSTWPJSFOS-GZMMTYOYSA-N 0 3 304.293 2.445 20 5 DEBDHN CC(C)c1n[nH]c(C(=O)NC(C)(C)CN2CCCC2)c1[N+](=O)[O-] ZINC000457036708 405665791 /nfs/dbraw/zinc/66/57/91/405665791.db2.gz AFVODJDOWKIMOI-UHFFFAOYSA-N 0 3 323.397 2.046 20 5 DEBDHN COc1ccc(C(=O)NCCN2CCCC2(C)C)cc1[N+](=O)[O-] ZINC000457083169 405688776 /nfs/dbraw/zinc/68/87/76/405688776.db2.gz XOLURDMMVWSTDZ-UHFFFAOYSA-N 0 3 321.377 2.208 20 5 DEBDHN COc1cc(C(=O)NCCN2CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000457076698 405682063 /nfs/dbraw/zinc/68/20/63/405682063.db2.gz OFHDRMNPHPIBLV-UHFFFAOYSA-N 0 3 321.377 2.208 20 5 DEBDHN CC(C)(O)CN(Cc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000531416092 405956145 /nfs/dbraw/zinc/95/61/45/405956145.db2.gz JVHSYXRXVFHJJM-UHFFFAOYSA-N 0 3 308.378 2.347 20 5 DEBDHN Cc1c([C@H](C)NCCN2CCO[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000532485173 406080251 /nfs/dbraw/zinc/08/02/51/406080251.db2.gz JSTCVZKGIQRJSE-JSGCOSHPSA-N 0 3 307.394 2.275 20 5 DEBDHN C[C@H](C(=O)N[C@@H]1CCN(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000519853838 406263079 /nfs/dbraw/zinc/26/30/79/406263079.db2.gz LWCIQPXFVILDFW-WCQYABFASA-N 0 3 303.362 2.051 20 5 DEBDHN COCCN(CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCO[C@@H]1C ZINC000489461632 406409306 /nfs/dbraw/zinc/40/93/06/406409306.db2.gz WMJPIQMTAKVECV-CZUORRHYSA-N 0 3 308.378 2.263 20 5 DEBDHN CCCCN1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000523355367 406421768 /nfs/dbraw/zinc/42/17/68/406421768.db2.gz IZVCPEGCKWHROI-CYBMUJFWSA-N 0 3 322.409 2.318 20 5 DEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@@H]1CCCC[C@H]1F ZINC000571552523 406535686 /nfs/dbraw/zinc/53/56/86/406535686.db2.gz XLNWXFAQXDGYCH-YNEHKIRRSA-N 0 3 312.341 2.205 20 5 DEBDHN CN(C)Cc1ccccc1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000551665271 406626851 /nfs/dbraw/zinc/62/68/51/406626851.db2.gz BKDMUWBAJKHKDI-UHFFFAOYSA-N 0 3 302.334 2.247 20 5 DEBDHN Cc1cc(C(=O)N2[C@@H]3CC[C@H]2CCN(C)C3)cc([N+](=O)[O-])c1 ZINC000554894537 406828001 /nfs/dbraw/zinc/82/80/01/406828001.db2.gz TZPOMPAYEZAKSG-UONOGXRCSA-N 0 3 303.362 2.212 20 5 DEBDHN CC(C)(NC(=O)C[C@H]1CSCCN1)c1ccc([N+](=O)[O-])cc1 ZINC000133240476 196324599 /nfs/dbraw/zinc/32/45/99/196324599.db2.gz JEOQFQUSOLZBPF-LBPRGKRZSA-N 0 3 323.418 2.041 20 5 DEBDHN Cc1cc(NCCCN2CCN(C)CC2)c(F)cc1[N+](=O)[O-] ZINC000290899569 222005818 /nfs/dbraw/zinc/00/58/18/222005818.db2.gz DWNBDDRJNXICPJ-UHFFFAOYSA-N 0 3 310.373 2.092 20 5 DEBDHN CSc1cccc(C(=O)NC(C)(C)CN(C)C)c1[N+](=O)[O-] ZINC000411100461 227338794 /nfs/dbraw/zinc/33/87/94/227338794.db2.gz OIYBJVAHUOWIGP-UHFFFAOYSA-N 0 3 311.407 2.387 20 5 DEBDHN O=[N+]([O-])c1ccc(N2CC[C@H](OCCN3CCCCC3)C2)nc1 ZINC000301732424 229859886 /nfs/dbraw/zinc/85/98/86/229859886.db2.gz FMKVEKPHGZDJKK-HNNXBMFYSA-N 0 3 320.393 2.071 20 5 DEBDHN CC(C)N1CCCC[C@@H]1CSc1ncc([N+](=O)[O-])c(N)n1 ZINC000569746117 424924683 /nfs/dbraw/zinc/92/46/83/424924683.db2.gz YPAUIHYEWXZYSI-SNVBAGLBSA-N 0 3 311.411 2.322 20 5 DEBDHN CC(C)Oc1nc(N[C@H]2CCN(C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000570107390 424926317 /nfs/dbraw/zinc/92/63/17/424926317.db2.gz UZMHAUJLJSJMCK-RYUDHWBXSA-N 0 3 308.382 2.672 20 5 DEBDHN CC[C@H](C)N[C@H](CNc1ncc([N+](=O)[O-])c(C)n1)c1ccco1 ZINC000450531419 425075979 /nfs/dbraw/zinc/07/59/79/425075979.db2.gz SRXVRVSRKDFTBE-CMPLNLGQSA-N 0 3 319.365 2.828 20 5 DEBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@H]2Cc2ccccc2)n1 ZINC000176202303 275040511 /nfs/dbraw/zinc/04/05/11/275040511.db2.gz CYYWBCXPBSOGQQ-HNNXBMFYSA-N 0 3 300.362 2.498 20 5 DEBDHN CN(C)C(=O)CC1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000182174107 276740130 /nfs/dbraw/zinc/74/01/30/276740130.db2.gz VCTPAWVJTXYXHB-UHFFFAOYSA-N 0 3 319.405 2.328 20 5 DEBDHN CN1C[C@@H](N[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000417349145 276979769 /nfs/dbraw/zinc/97/97/69/276979769.db2.gz ZQPWNHVLKUDKJI-WFASDCNBSA-N 0 3 303.362 2.183 20 5 DEBDHN CS[C@@H]1CN(c2ccc(N)cc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000286802551 278157246 /nfs/dbraw/zinc/15/72/46/278157246.db2.gz KNXAKEAOAUSUJH-LSDHHAIUSA-N 0 3 322.434 2.193 20 5 DEBDHN Cc1c(NC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000361748513 280244081 /nfs/dbraw/zinc/24/40/81/280244081.db2.gz BNWFXUKOTHAJEZ-DOMZBBRYSA-N 0 3 318.377 2.461 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CCN1CCCC1 ZINC000118787565 281018167 /nfs/dbraw/zinc/01/81/67/281018167.db2.gz VOXQARYOVOZMSP-UHFFFAOYSA-N 0 3 306.366 2.463 20 5 DEBDHN Cc1cccc(N2CCN([C@H]3CCCN(C)C3)CC2)c1[N+](=O)[O-] ZINC000372946275 281228729 /nfs/dbraw/zinc/22/87/29/281228729.db2.gz GHHITQJPTPKKIP-HNNXBMFYSA-N 0 3 318.421 2.119 20 5 DEBDHN Cc1ccc([C@H](C)N[C@H](C)CN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000154980482 301788141 /nfs/dbraw/zinc/78/81/41/301788141.db2.gz LHVMMDJHYKLYMH-CABCVRRESA-N 0 3 320.437 2.190 20 5 DEBDHN CC1(C)C[C@@H]1CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000573596208 326073888 /nfs/dbraw/zinc/07/38/88/326073888.db2.gz KFBCGLHCHICJNU-LLVKDONJSA-N 0 3 312.391 2.004 20 5 DEBDHN C[C@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000574130760 326125063 /nfs/dbraw/zinc/12/50/63/326125063.db2.gz SBOITJFKANRKKS-STQMWFEESA-N 0 3 317.389 2.465 20 5 DEBDHN C[C@H]1CN(CCN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000574956305 326203804 /nfs/dbraw/zinc/20/38/04/326203804.db2.gz FFKLBEVOHCCUOO-GUYCJALGSA-N 0 3 319.405 2.283 20 5 DEBDHN C[C@H]1COCCN1C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000576456059 326294647 /nfs/dbraw/zinc/29/46/47/326294647.db2.gz UMCJKAGDQSIRIG-AWEZNQCLSA-N 0 3 319.405 2.280 20 5 DEBDHN COc1cc(CN[C@H](C)CCCCO)c([N+](=O)[O-])cc1OC ZINC000294942040 533902443 /nfs/dbraw/zinc/90/24/43/533902443.db2.gz CIAOMMOBDWFBQL-LLVKDONJSA-N 0 3 312.366 2.253 20 5 DEBDHN CCCN(CCN(C)C)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000104530631 521654735 /nfs/dbraw/zinc/65/47/35/521654735.db2.gz MHVJDHBHVCOBRX-UHFFFAOYSA-N 0 3 322.409 2.197 20 5 DEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCC1([S@@](C)=O)CC1 ZINC000441206594 527502284 /nfs/dbraw/zinc/50/22/84/527502284.db2.gz WLZHSZFOIIHYLB-PRUHCIRGSA-N 0 3 308.403 2.499 20 5 DEBDHN CCN1CCN([C@@H](C)CNc2cccc(C)c2[N+](=O)[O-])CC1 ZINC000302488816 529150819 /nfs/dbraw/zinc/15/08/19/529150819.db2.gz JGBMIRZMUZBJQX-AWEZNQCLSA-N 0 3 306.410 2.341 20 5 DEBDHN CC[C@H](NCc1ccc(O)c(OC)c1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000893257348 625319792 /nfs/dbraw/zinc/31/97/92/625319792.db2.gz ZPSXWGXQGCZPIC-AAEUAGOBSA-N 0 3 310.350 2.356 20 5 DEBDHN CC[C@H]([NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000893257348 625319799 /nfs/dbraw/zinc/31/97/99/625319799.db2.gz ZPSXWGXQGCZPIC-AAEUAGOBSA-N 0 3 310.350 2.356 20 5 DEBDHN C[C@@H]1C[C@@H](Nc2c([N+](=O)[O-])cnn2C)CN1Cc1ccccc1 ZINC000892899011 625697158 /nfs/dbraw/zinc/69/71/58/625697158.db2.gz IDDREEBTFKVYBE-TZMCWYRMSA-N 0 3 315.377 2.403 20 5 DEBDHN C[C@H](CNC(=O)N[C@@H]1CCCN(C)C1)c1ccccc1[N+](=O)[O-] ZINC000892239031 624862473 /nfs/dbraw/zinc/86/24/73/624862473.db2.gz GMIWPXNFSMTGPB-CHWSQXEVSA-N 0 3 320.393 2.092 20 5 DEBDHN CC(COC(=O)C1(c2cccnc2)CC2(CCC2)C1)[N+](=O)[O-] ZINC000893047237 625078672 /nfs/dbraw/zinc/07/86/72/625078672.db2.gz KPIPESJAUJYPRZ-LBPRGKRZSA-N 0 3 304.346 2.492 20 5 DEBDHN CC1CCC(N2CCN(c3c([N+](=O)[O-])cnn3C)CC2)CC1 ZINC000892556815 625148139 /nfs/dbraw/zinc/14/81/39/625148139.db2.gz SHOJTFGQGYYKMU-UHFFFAOYSA-N 0 3 307.398 2.029 20 5 DEBDHN COc1c([O-])ccc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000892609246 625191588 /nfs/dbraw/zinc/19/15/88/625191588.db2.gz YYKYKWJKFDJDBV-STQMWFEESA-N 0 3 321.377 2.025 20 5 DEBDHN COc1c([O-])ccc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000892609246 625191590 /nfs/dbraw/zinc/19/15/90/625191590.db2.gz YYKYKWJKFDJDBV-STQMWFEESA-N 0 3 321.377 2.025 20 5 DEBDHN COc1c([O-])ccc(C[NH2+]CC[C@H]2CCCCO2)c1[N+](=O)[O-] ZINC000893479462 633840357 /nfs/dbraw/zinc/84/03/57/633840357.db2.gz PWKLEZICZXIBQM-GFCCVEGCSA-N 0 3 310.350 2.358 20 5 DEBDHN C[C@H](NC(=O)N[C@H]1CCN(C)[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000921807724 635350803 /nfs/dbraw/zinc/35/08/03/635350803.db2.gz SJWPECPPZDWMME-GVXVVHGQSA-N 0 3 306.366 2.048 20 5 DEBDHN COc1cc(C[NH2+]C[C@]2(C)CCCCO2)c([N+](=O)[O-])cc1[O-] ZINC000922816274 636425792 /nfs/dbraw/zinc/42/57/92/636425792.db2.gz IDZGRAZXXFPFMO-HNNXBMFYSA-N 0 3 310.350 2.358 20 5 DEBDHN O=[N+]([O-])c1cc(Cl)ccc1CNCCN1CCCOCC1 ZINC000894474227 637061118 /nfs/dbraw/zinc/06/11/18/637061118.db2.gz HBODQRSMXUEJDG-UHFFFAOYSA-N 0 3 313.785 2.060 20 5 DEBDHN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000928438907 637236318 /nfs/dbraw/zinc/23/63/18/637236318.db2.gz NDNFNNVMZZMDIV-RNQRCEHPSA-N 0 3 303.362 2.207 20 5 DEBDHN COc1c(O)ccc(CN2CCC[C@@H](CCO)CC2)c1[N+](=O)[O-] ZINC000894988898 637362942 /nfs/dbraw/zinc/36/29/42/637362942.db2.gz YPZHCYFSEGDDPM-GFCCVEGCSA-N 0 3 324.377 2.294 20 5 DEBDHN COC(=O)/C=C\c1ccc(N[C@@H]2CCN(C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000895738169 638178351 /nfs/dbraw/zinc/17/83/51/638178351.db2.gz GWKHKKPNXGTULD-PDCNKGEESA-N 0 3 319.361 2.286 20 5 DEBDHN Cc1ccc(CNC(=O)N(C)[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000896220787 638417469 /nfs/dbraw/zinc/41/74/69/638417469.db2.gz WIYHXLISHIRESV-CQSZACIVSA-N 0 3 320.393 2.139 20 5 DEBDHN Cc1cc(N2CC[C@@H]3[C@H]2CCCN3CCO)c(F)cc1[N+](=O)[O-] ZINC000897219577 639251129 /nfs/dbraw/zinc/25/11/29/639251129.db2.gz LLTFWXSOFQNLOO-ZIAGYGMSSA-N 0 3 323.368 2.078 20 5 DEBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCCN(C)C1 ZINC000755255368 639534627 /nfs/dbraw/zinc/53/46/27/639534627.db2.gz BGSNNRFHDRFLQC-WONIAPNHSA-N 0 3 303.362 2.209 20 5 DEBDHN O=[N+]([O-])c1ccc(Cl)cc1CN[C@@H](CO)[C@@H]1CCCOC1 ZINC000839650877 639779246 /nfs/dbraw/zinc/77/92/46/639779246.db2.gz NMYSDOMECLUWRQ-MFKMUULPSA-N 0 3 314.769 2.125 20 5 DEBDHN CCN1C[C@H](C)N(c2nc3ccccn3c2[N+](=O)[O-])C[C@H]1C ZINC000765633012 640803147 /nfs/dbraw/zinc/80/31/47/640803147.db2.gz GRPWFDHROHBFOR-NEPJUHHUSA-N 0 3 303.366 2.161 20 5 DEBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC(c3ncc[nH]3)CC2)cc1 ZINC000776593078 642190388 /nfs/dbraw/zinc/19/03/88/642190388.db2.gz VQWZOUJSLAEQAP-OAHLLOKOSA-N 0 3 316.361 2.231 20 5 DEBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC(c3c[nH]cn3)CC2)cc1 ZINC000776592687 642190663 /nfs/dbraw/zinc/19/06/63/642190663.db2.gz XPVLOJTVFNWEDG-MRXNPFEDSA-N 0 3 316.361 2.231 20 5 DEBDHN NC(=O)[C@@H]1CCCC[C@H]1NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000782534353 642892296 /nfs/dbraw/zinc/89/22/96/642892296.db2.gz ACJJOFKVTBQDCR-VXGBXAGGSA-N 0 3 311.769 2.382 20 5 DEBDHN O=[N+]([O-])c1ccc(Cl)cc1CN[C@@H](CO)C1CCOCC1 ZINC000782530579 642892857 /nfs/dbraw/zinc/89/28/57/642892857.db2.gz XHUNUTBEMDXSHM-ZDUSSCGKSA-N 0 3 314.769 2.125 20 5 DEBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000902826537 643153372 /nfs/dbraw/zinc/15/33/72/643153372.db2.gz FGHPYCSSMFDMNF-CMPLNLGQSA-N 0 3 322.340 2.434 20 5 DEBDHN C[C@H](NCCCCc1ccc([N+](=O)[O-])cc1)c1cn(C)nn1 ZINC000902872258 643166848 /nfs/dbraw/zinc/16/68/48/643166848.db2.gz FLLHGUNSRXSLGW-LBPRGKRZSA-N 0 3 303.366 2.397 20 5 DEBDHN CC(C)(C)OC(=O)Nc1ccc(CCNCC[N+](=O)[O-])cc1 ZINC000905161405 643820201 /nfs/dbraw/zinc/82/02/01/643820201.db2.gz SBJRWHGQDONZTJ-UHFFFAOYSA-N 0 3 309.366 2.442 20 5 DEBDHN Cc1ccc(CNC[C@@H](O)CC2(O)CCCCC2)cc1[N+](=O)[O-] ZINC000905403223 643895505 /nfs/dbraw/zinc/89/55/05/643895505.db2.gz AMZJDHPVRJWGBX-HNNXBMFYSA-N 0 3 322.405 2.439 20 5 DEBDHN Cc1cc(OCC(=O)OCCN2CCCCC2)ccc1[N+](=O)[O-] ZINC000797494151 644888699 /nfs/dbraw/zinc/88/86/99/644888699.db2.gz VLNOUIJVXWMYJH-UHFFFAOYSA-N 0 3 322.361 2.311 20 5 DEBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000843823352 651036202 /nfs/dbraw/zinc/03/62/02/651036202.db2.gz WLCWXYMUIFHSNQ-TVQRCGJNSA-N 0 3 321.352 2.255 20 5 DEBDHN CC(COC(=O)c1ccn(-c2ccc(Cl)cc2)n1)[N+](=O)[O-] ZINC000813101613 646728984 /nfs/dbraw/zinc/72/89/84/646728984.db2.gz FJDURMJQOAYOAL-SECBINFHSA-N 0 3 309.709 2.348 20 5 DEBDHN CC(COC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[N+](=O)[O-] ZINC000813106346 646729727 /nfs/dbraw/zinc/72/97/27/646729727.db2.gz BJEQVBZNLXNCIW-LURJTMIESA-N 0 3 320.204 2.018 20 5 DEBDHN CC(COC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1)[N+](=O)[O-] ZINC000813108406 646730380 /nfs/dbraw/zinc/73/03/80/646730380.db2.gz XZJQSXYUHBTIKW-GIPNMCIBSA-N 0 3 306.318 2.103 20 5 DEBDHN CCOc1nc(C(F)(F)F)ccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813107186 646730426 /nfs/dbraw/zinc/73/04/26/646730426.db2.gz MDQVFNSMJDNBLR-ZETCQYMHSA-N 0 3 322.239 2.321 20 5 DEBDHN CC(COC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000813109835 646730539 /nfs/dbraw/zinc/73/05/39/646730539.db2.gz WVBITIAZMDGNOX-LURJTMIESA-N 0 3 320.204 2.018 20 5 DEBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])nn1-c1ccc(C)cc1 ZINC000813110204 646730617 /nfs/dbraw/zinc/73/06/17/646730617.db2.gz URHMRAIORJJOGB-LBPRGKRZSA-N 0 3 303.318 2.311 20 5 DEBDHN CC(COC(=O)Cc1ccc(F)c(Br)c1)[N+](=O)[O-] ZINC000813112903 646731433 /nfs/dbraw/zinc/73/14/33/646731433.db2.gz WBUVWQCCSWPXAN-SSDOTTSWSA-N 0 3 320.114 2.339 20 5 DEBDHN CSc1ccc([N+](=O)[O-])c(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813114632 646732602 /nfs/dbraw/zinc/73/26/02/646732602.db2.gz DTJCYDAWYLVDTA-SSDOTTSWSA-N 0 3 300.292 2.139 20 5 DEBDHN Cc1ccc(CNC[C@H](O)COc2ccccc2)cc1[N+](=O)[O-] ZINC000915226127 647498432 /nfs/dbraw/zinc/49/84/32/647498432.db2.gz DGELWVYVQIEPQY-HNNXBMFYSA-N 0 3 316.357 2.433 20 5 DEBDHN Cc1cc(NC(=O)N2CC[C@@H]3CN(C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000917027954 647956775 /nfs/dbraw/zinc/95/67/75/647956775.db2.gz PZCLMONOWBGFIN-RISCZKNCSA-N 0 3 304.350 2.071 20 5 DEBDHN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)C1=CCN(C)CC1 ZINC000831937960 649661562 /nfs/dbraw/zinc/66/15/62/649661562.db2.gz XIAAWYYRJMFFMS-SNVBAGLBSA-N 0 3 307.325 2.114 20 5 DEBDHN Cc1cc(Cl)c(C(=O)N2C[C@H]3CCN(C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000834307899 649779212 /nfs/dbraw/zinc/77/92/12/649779212.db2.gz PAAUJBYQKCDNFZ-YGRLFVJLSA-N 0 3 323.780 2.333 20 5 DEBDHN CC([C@@H](OC(=O)[C@@H]1CCC(=O)C1)c1ccccc1F)[N+](=O)[O-] ZINC000845875784 651291244 /nfs/dbraw/zinc/29/12/44/651291244.db2.gz CKQDCVOEGLMVKY-GPCCPHFNSA-N 0 3 309.293 2.444 20 5 DEBDHN O=C(N[C@H]1CCCN2CCCC[C@@H]12)c1cc(F)ccc1[N+](=O)[O-] ZINC000847257268 651384672 /nfs/dbraw/zinc/38/46/72/651384672.db2.gz VVUBAAQRRGIFBV-ZFWWWQNUSA-N 0 3 321.352 2.481 20 5 DEBDHN N[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC[C@H]1F ZINC000850730426 651975218 /nfs/dbraw/zinc/97/52/18/651975218.db2.gz PCSJWKLFVWACEV-NXEZZACHSA-N 0 3 316.720 2.151 20 5 DEBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(C)[C@@H]2C)c1 ZINC000928450999 693783778 /nfs/dbraw/zinc/78/37/78/693783778.db2.gz JPHAIFLDUZUQRL-BXKDBHETSA-N 0 3 309.391 2.139 20 5 DEBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])c(C)n1[C@H]1CCCOC1 ZINC000860777803 685960097 /nfs/dbraw/zinc/96/00/97/685960097.db2.gz WLSOYTWIRYHVAA-YPMHNXCESA-N 0 3 310.350 2.278 20 5 DEBDHN CO[C@@H]1CN(C)[C@](C)(COC(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000861338843 686046747 /nfs/dbraw/zinc/04/67/47/686046747.db2.gz GMTUUXDTZSHUEA-BBRMVZONSA-N 0 3 322.361 2.169 20 5 DEBDHN CC[C@H](C[C@@H](C)O)NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000865872675 687363299 /nfs/dbraw/zinc/36/32/99/687363299.db2.gz NYUIFCHRQVCELM-ZYHUDNBSSA-N 0 3 310.350 2.005 20 5 DEBDHN CC[C@H](C[C@@H](C)O)NCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000865871352 687363635 /nfs/dbraw/zinc/36/36/35/687363635.db2.gz BUTCUMNGUBSSMI-ZYHUDNBSSA-N 0 3 312.366 2.251 20 5 DEBDHN Cc1ccc(N2CCC(N3CCN(C)CC3)CC2)c([N+](=O)[O-])c1 ZINC000866213434 687494788 /nfs/dbraw/zinc/49/47/88/687494788.db2.gz UOAVLKQQQMTRLS-UHFFFAOYSA-N 0 3 318.421 2.119 20 5 DEBDHN CC(C)(C)N1CC[C@H]1CNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000869226566 688247012 /nfs/dbraw/zinc/24/70/12/688247012.db2.gz WEXUVONZNJLYEY-LBPRGKRZSA-N 0 3 323.368 2.265 20 5 DEBDHN COc1cccc(C(=O)N2CCN(C)C(C)(C)CC2)c1[N+](=O)[O-] ZINC000871157359 688738831 /nfs/dbraw/zinc/73/88/31/688738831.db2.gz YIAJUXWAWLESDY-UHFFFAOYSA-N 0 3 321.377 2.160 20 5 DEBDHN CC1(C)[C@H]2[C@H](CCCN2CCOc2ccc([N+](=O)[O-])cc2)[C@@H]1O ZINC000872255806 688965297 /nfs/dbraw/zinc/96/52/97/688965297.db2.gz GBIRSNKUSXJSJL-XHSDSOJGSA-N 0 3 320.389 2.455 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@@H]1CN(C2CC2)C(=O)O1 ZINC000873132787 689166471 /nfs/dbraw/zinc/16/64/71/689166471.db2.gz GLDMXTLAWJBRQS-CYBMUJFWSA-N 0 3 319.361 2.284 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1CN1[C@H](C)CC[C@H](C(N)=O)[C@@H]1C ZINC000930913481 694271194 /nfs/dbraw/zinc/27/11/94/694271194.db2.gz XMWOXSAVTZJQQY-SUNKGSAMSA-N 0 3 321.377 2.078 20 5 DEBDHN COc1ccc(CN2[C@H](C)CC[C@H](C(N)=O)[C@H]2C)cc1[N+](=O)[O-] ZINC000930914834 694271583 /nfs/dbraw/zinc/27/15/83/694271583.db2.gz JIAUZDYEAOWORN-WZRBSPASSA-N 0 3 321.377 2.078 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCCN1CCCCC1 ZINC000874040424 689344496 /nfs/dbraw/zinc/34/44/96/689344496.db2.gz LUYFPGUXXLQTMX-UHFFFAOYSA-N 0 3 305.378 2.427 20 5 DEBDHN C[C@H](C(=O)N1CC[C@H]2[C@H]1CCCN2C)c1cccc([N+](=O)[O-])c1 ZINC000874827375 689503353 /nfs/dbraw/zinc/50/33/53/689503353.db2.gz BYYWTBDNQRAUTP-VBNZEHGJSA-N 0 3 317.389 2.393 20 5 DEBDHN CCc1noc(CC)c1CNC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877110079 690020577 /nfs/dbraw/zinc/02/05/77/690020577.db2.gz XBKCQQVHPFBCMM-UHFFFAOYSA-N 0 3 319.365 2.397 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC2(CCNC2=O)CC1 ZINC000877782300 690227140 /nfs/dbraw/zinc/22/71/40/690227140.db2.gz RAVFWKXBDUCFOI-UHFFFAOYSA-N 0 3 317.389 2.314 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)CCc1ccccc1F ZINC000878091568 690306799 /nfs/dbraw/zinc/30/67/99/690306799.db2.gz FHHPSHNHNBLCMH-UHFFFAOYSA-N 0 3 306.341 2.413 20 5 DEBDHN O=[N+]([O-])c1ccn(C2CCN(CCCOC(F)(F)F)CC2)n1 ZINC000878524763 690432566 /nfs/dbraw/zinc/43/25/66/690432566.db2.gz TWCBBIYUWNTHRA-UHFFFAOYSA-N 0 3 322.287 2.355 20 5 DEBDHN CC(C)(O)C1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000879627615 690693697 /nfs/dbraw/zinc/69/36/97/690693697.db2.gz MGTIGSLJSBFWDR-HNNXBMFYSA-N 0 3 308.378 2.111 20 5 DEBDHN CCOc1cc(CN(C)[C@H]2CCOC[C@@H]2OC)ccc1[N+](=O)[O-] ZINC000880437519 690898639 /nfs/dbraw/zinc/89/86/39/690898639.db2.gz MCRMFNNBXLCQNL-BBRMVZONSA-N 0 3 324.377 2.229 20 5 DEBDHN O=C1C[C@@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])CN1CC1CC1 ZINC000883396879 691496852 /nfs/dbraw/zinc/49/68/52/691496852.db2.gz YVOSUSKUVORHNU-DOMZBBRYSA-N 0 3 315.373 2.183 20 5 DEBDHN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H](N)CC1CC1 ZINC000884062614 691644731 /nfs/dbraw/zinc/64/47/31/691644731.db2.gz WCSOBUDYYIVSCG-CYBMUJFWSA-N 0 3 311.769 2.334 20 5 DEBDHN COc1c([O-])ccc(C[NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)c1[N+](=O)[O-] ZINC001334982350 1150362511 /nfs/dbraw/zinc/36/25/11/1150362511.db2.gz MVHHKTAKYQQOEM-YRGRVCCFSA-N 0 3 322.361 2.356 20 5 DEBDHN COc1c([O-])ccc(C[NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)c1[N+](=O)[O-] ZINC001334982347 1150362611 /nfs/dbraw/zinc/36/26/11/1150362611.db2.gz MVHHKTAKYQQOEM-BZPMIXESSA-N 0 3 322.361 2.356 20 5 DEBDHN C[C@H](CNC(=O)N1C[C@@H](C)NC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC001357687209 1152325338 /nfs/dbraw/zinc/32/53/38/1152325338.db2.gz HINRJRIGNVQWAZ-JHJVBQTASA-N 0 3 320.393 2.090 20 5 DEBDHN C[C@@H]1CN[C@@H](C)[C@@H](C)N1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001358176920 1152368946 /nfs/dbraw/zinc/36/89/46/1152368946.db2.gz QXYBNCLGVZTXRV-KXUCPTDWSA-N 0 3 311.769 2.459 20 5 DEBDHN C[C@@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)[C@@H](C)CN1C ZINC001164631795 719249952 /nfs/dbraw/zinc/24/99/52/719249952.db2.gz GDYIVAJNLUKVLF-MNOVXSKESA-N 0 3 301.350 2.067 20 5 DEBDHN O=C1N[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CNC3)c2ccccc21 ZINC001171128683 790720555 /nfs/dbraw/zinc/72/05/55/790720555.db2.gz ZNXOMFKOSMNESM-OAHLLOKOSA-N 0 3 310.313 2.052 20 5 DEBDHN O=[N+]([O-])C[C@@H]1CC[C@H](NCc2ccn(Cc3ccccc3)n2)C1 ZINC001168987982 785005689 /nfs/dbraw/zinc/00/56/89/785005689.db2.gz MDLSFVINLINLPD-CVEARBPZSA-N 0 3 314.389 2.466 20 5 DEBDHN C[C@@H](N)c1ccn(-c2ccc3cc(F)cc([N+](=O)[O-])c3n2)n1 ZINC001169231630 785099500 /nfs/dbraw/zinc/09/95/00/785099500.db2.gz OIASLUSDFGPXRN-MRVPVSSYSA-N 0 3 301.281 2.488 20 5 DEBDHN COc1ccc(C[C@@H](C)N2CCC[C@@](C)(O)C2)c([N+](=O)[O-])c1 ZINC001170348508 786931261 /nfs/dbraw/zinc/93/12/61/786931261.db2.gz XVAUXWHSDQVLFF-MLGOLLRUSA-N 0 3 308.378 2.381 20 5 DEBDHN CCOC(=O)C1=C(Nc2cc(F)cc([N+](=O)[O-])c2C)CCNC1 ZINC001170514849 787475833 /nfs/dbraw/zinc/47/58/33/787475833.db2.gz ALKMHZBJETYPGP-UHFFFAOYSA-N 0 3 323.324 2.265 20 5 DEBDHN CCOC(=O)C1=C(Nc2cc([N+](=O)[O-])cc(F)c2C)CCNC1 ZINC001170522003 787497844 /nfs/dbraw/zinc/49/78/44/787497844.db2.gz SYZMJPFTSYNWMP-UHFFFAOYSA-N 0 3 323.324 2.265 20 5 DEBDHN CCN(CC)CC(=O)NCCCNc1ccc([N+](=O)[O-])c(C)c1 ZINC001094442123 792925684 /nfs/dbraw/zinc/92/56/84/792925684.db2.gz OLHLAUMVQZEOEO-UHFFFAOYSA-N 0 3 322.409 2.163 20 5 DEBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N[C@@H](C(N)=O)c1ccccc1 ZINC001173228733 793642572 /nfs/dbraw/zinc/64/25/72/793642572.db2.gz JVFNYSXXGFNJLV-MLGOLLRUSA-N 0 3 313.357 2.342 20 5 DEBDHN CC(=O)N[C@H]1CCCN([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173225673 793642999 /nfs/dbraw/zinc/64/29/99/793642999.db2.gz FHOVOOFKUKFENB-WFASDCNBSA-N 0 3 305.378 2.126 20 5 DEBDHN CC(=O)N(C)[C@@H]1CCN([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173232856 793645821 /nfs/dbraw/zinc/64/58/21/793645821.db2.gz UEBRRHUWUCFXRF-BLLLJJGKSA-N 0 3 305.378 2.078 20 5 DEBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@]2(CNC(=O)O2)C1 ZINC001173235882 793647409 /nfs/dbraw/zinc/64/74/09/793647409.db2.gz ZYNOJDXHJFWQFM-LRDDRELGSA-N 0 3 319.361 2.100 20 5 DEBDHN Cc1c[nH]cc1C(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001176042498 794340841 /nfs/dbraw/zinc/34/08/41/794340841.db2.gz JFRPEMLSBKKGSW-UHFFFAOYSA-N 0 3 322.390 2.203 20 5 DEBDHN CCN1C[C@H](NC(=O)c2cc(OC)ccc2[N+](=O)[O-])C(C)(C)C1 ZINC001178860633 795022227 /nfs/dbraw/zinc/02/22/27/795022227.db2.gz GYPDGAXZJOCBKV-AWEZNQCLSA-N 0 3 321.377 2.064 20 5 DEBDHN O=[N+]([O-])c1ccc(CNC[C@@H](O)C[C@@H](O)c2ccccc2)cc1 ZINC001120472528 795468169 /nfs/dbraw/zinc/46/81/69/795468169.db2.gz OWFLSFDETMPQJF-DLBZAZTESA-N 0 3 316.357 2.169 20 5 DEBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC001122883676 795814027 /nfs/dbraw/zinc/81/40/27/795814027.db2.gz UBTOHPYBFTUATA-UHFFFAOYSA-N 0 3 317.320 2.254 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CN(C)CC1(C)C ZINC001156596979 798038803 /nfs/dbraw/zinc/03/88/03/798038803.db2.gz CTYRFXJESWELAB-AWEZNQCLSA-N 0 3 305.378 2.282 20 5 DEBDHN CCN1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)C(C)(C)C1 ZINC001156828106 798089574 /nfs/dbraw/zinc/08/95/74/798089574.db2.gz JTFWNMUIURVNPU-CYBMUJFWSA-N 0 3 309.341 2.194 20 5 DEBDHN CCN1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)C(C)(C)C1 ZINC001156828107 798089957 /nfs/dbraw/zinc/08/99/57/798089957.db2.gz JTFWNMUIURVNPU-ZDUSSCGKSA-N 0 3 309.341 2.194 20 5 DEBDHN C[C@@H](Nc1nc(Cl)cc(Cl)c1[N+](=O)[O-])[C@@H]1CNCCO1 ZINC001159495031 798572149 /nfs/dbraw/zinc/57/21/49/798572149.db2.gz BMIREXOXEYVRCQ-SVRRBLITSA-N 0 3 321.164 2.085 20 5 DEBDHN COc1ccnc(-n2c3ccccc3nc2[C@H](C)N)c1[N+](=O)[O-] ZINC001162758518 799167048 /nfs/dbraw/zinc/16/70/48/799167048.db2.gz KQMVAUXWOBPOMV-VIFPVBQESA-N 0 3 313.317 2.357 20 5 DEBDHN C[C@H](N)c1nc2ccccc2n1-c1ncnc2[nH]cc([N+](=O)[O-])c21 ZINC001162757507 799167286 /nfs/dbraw/zinc/16/72/86/799167286.db2.gz ADMQCKVQGOHMPB-QMMMGPOBSA-N 0 3 323.316 2.225 20 5 DEBDHN CC[N+](C)(C)Cc1ccccc1NCCCc1c[n-][nH]c1=O ZINC001164381811 799590196 /nfs/dbraw/zinc/59/01/96/799590196.db2.gz FAXRPGOHAMGJMP-CQSZACIVSA-O 0 3 303.430 2.207 20 5 DEBDHN CC(C)(C)N1CCN(c2cc([N+](=O)[O-])c3cc[nH]c3n2)CC1 ZINC001165091447 799649381 /nfs/dbraw/zinc/64/93/81/799649381.db2.gz VCLCSRPUVZQION-UHFFFAOYSA-N 0 3 303.366 2.392 20 5 DEBDHN CC(C)N(CCN(C)C)C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000935026314 800534169 /nfs/dbraw/zinc/53/41/69/800534169.db2.gz UHTYXKXBJROOLT-CVEARBPZSA-N 0 3 319.405 2.497 20 5 DEBDHN CC1(C)C[C@@H](Oc2[n-]c(=O)nc3cc([N+](=O)[O-])ccc32)CC[NH2+]1 ZINC001218472525 802188864 /nfs/dbraw/zinc/18/88/64/802188864.db2.gz RBDKJKYLSVPYKH-JTQLQIEISA-N 0 3 318.333 2.153 20 5 DEBDHN CCOC(=O)Cc1ccc([N+](=O)[O-])c(O[C@H]2CCN(CC)C2)c1 ZINC001234408795 802371660 /nfs/dbraw/zinc/37/16/60/802371660.db2.gz QFJBEBPAFVSCHF-ZDUSSCGKSA-N 0 3 322.361 2.173 20 5 DEBDHN CCOC(=O)c1ccc(O[C@H]2CCN(CC)C2)c([N+](=O)[O-])c1 ZINC001227296890 803228340 /nfs/dbraw/zinc/22/83/40/803228340.db2.gz HTOVFIGOCVGAGA-LBPRGKRZSA-N 0 3 308.334 2.245 20 5 DEBDHN Cc1cc(NC(=O)N2CC[C@H]3CN(C)C[C@H]32)cc([N+](=O)[O-])c1 ZINC001344874923 1150848054 /nfs/dbraw/zinc/84/80/54/1150848054.db2.gz IWBVGHKETJVVAU-SMDDNHRTSA-N 0 3 304.350 2.071 20 5 DEBDHN CC(C)n1cc(Br)c(C(=O)OCC(C)[N+](=O)[O-])n1 ZINC001344996030 1150857267 /nfs/dbraw/zinc/85/72/67/1150857267.db2.gz CDULGBIFIRDJLC-ZETCQYMHSA-N 0 3 320.143 2.049 20 5 DEBDHN CC(COC(=O)[C@H](c1cccc(Cl)c1)N(C)C)[N+](=O)[O-] ZINC001344996659 1150857432 /nfs/dbraw/zinc/85/74/32/1150857432.db2.gz HDHGLTSYZJWLMB-CABZTGNLSA-N 0 3 300.742 2.151 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1[C@H](C)CN[C@H](C)[C@H]1C ZINC001522828839 1069478644 /nfs/dbraw/zinc/47/86/44/1069478644.db2.gz ZMCSFDPHXSXZEN-JHJVBQTASA-N 0 3 305.378 2.423 20 5 DEBDHN [NH3+]CCN(Cc1ccc([O-])c(F)c1)c1ccccc1[N+](=O)[O-] ZINC001621316332 1069881489 /nfs/dbraw/zinc/88/14/89/1069881489.db2.gz DOWQMFCYMGNWOD-UHFFFAOYSA-N 0 3 305.309 2.405 20 5 DEBDHN C[C@H](C1CC1)[N@H+](C)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001603436882 1069967761 /nfs/dbraw/zinc/96/77/61/1069967761.db2.gz PYQDAXGFJIPJGG-SECBINFHSA-N 0 3 302.338 2.005 20 5 DEBDHN C[C@H](C1CC1)[N@@H+](C)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001603436882 1069967774 /nfs/dbraw/zinc/96/77/74/1069967774.db2.gz PYQDAXGFJIPJGG-SECBINFHSA-N 0 3 302.338 2.005 20 5 DEBDHN C[C@H](C1CC1)[N@H+](C)Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001603436882 1069967782 /nfs/dbraw/zinc/96/77/82/1069967782.db2.gz PYQDAXGFJIPJGG-SECBINFHSA-N 0 3 302.338 2.005 20 5 DEBDHN C[C@H](C1CC1)[N@@H+](C)Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001603436882 1069967790 /nfs/dbraw/zinc/96/77/90/1069967790.db2.gz PYQDAXGFJIPJGG-SECBINFHSA-N 0 3 302.338 2.005 20 5 DEBDHN O=C1OCC[C@H]1CCCNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001474694917 1060919165 /nfs/dbraw/zinc/91/91/65/1060919165.db2.gz CGLMBGQNGVSCTK-SNVBAGLBSA-N 0 3 319.317 2.169 20 5 DEBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN(C(C)C)C1 ZINC001633592247 1078408655 /nfs/dbraw/zinc/40/86/55/1078408655.db2.gz GIBJFBCUTSWMCE-GFCCVEGCSA-N 0 3 320.393 2.239 20 5 DEBDHN CC[C@@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@H]1C ZINC001577162344 1066776998 /nfs/dbraw/zinc/77/69/98/1066776998.db2.gz VTGQTOGXCBISSR-WDEREUQCSA-N 0 3 316.365 2.395 20 5 DEBDHN CC[C@@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@H]1C ZINC001577162344 1066777003 /nfs/dbraw/zinc/77/70/03/1066777003.db2.gz VTGQTOGXCBISSR-WDEREUQCSA-N 0 3 316.365 2.395 20 5 DEBDHN CC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@H]1C ZINC001577162344 1066777007 /nfs/dbraw/zinc/77/70/07/1066777007.db2.gz VTGQTOGXCBISSR-WDEREUQCSA-N 0 3 316.365 2.395 20 5 DEBDHN CC[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@H]1C ZINC001577162344 1066777012 /nfs/dbraw/zinc/77/70/12/1066777012.db2.gz VTGQTOGXCBISSR-WDEREUQCSA-N 0 3 316.365 2.395 20 5 DEBDHN Cc1[nH]cnc1CC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC001634635151 1078434485 /nfs/dbraw/zinc/43/44/85/1078434485.db2.gz RFBWNINGAHBBED-SNVBAGLBSA-N 0 3 302.334 2.355 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C1(N)CC2(CCC2)C1 ZINC001579241588 1067270251 /nfs/dbraw/zinc/27/02/51/1067270251.db2.gz CMDLBHMHSMZQSW-UHFFFAOYSA-N 0 3 305.334 2.204 20 5 DEBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@@H]1CN2CCC1CC2 ZINC001640525645 1078665925 /nfs/dbraw/zinc/66/59/25/1078665925.db2.gz QTWARORWHQENII-CQSZACIVSA-N 0 3 319.361 2.196 20 5 DEBDHN CC[C@H]1CN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])[C@@H](CC)CN1 ZINC001573719787 1069079280 /nfs/dbraw/zinc/07/92/80/1069079280.db2.gz PQZOYWYYQOMSTC-RYUDHWBXSA-N 0 3 321.377 2.206 20 5 DEBDHN O=[N+]([O-])c1ccc(OCCN2CC[C@H](c3cnccn3)C2)cc1 ZINC001644671694 1078854716 /nfs/dbraw/zinc/85/47/16/1078854716.db2.gz DNWJEEAQRLMUFJ-ZDUSSCGKSA-N 0 3 314.345 2.253 20 5 DEBDHN O=[N+]([O-])c1ccc(OCCN2CC[C@@H](c3cnccn3)C2)cc1 ZINC001644671692 1078855733 /nfs/dbraw/zinc/85/57/33/1078855733.db2.gz DNWJEEAQRLMUFJ-CYBMUJFWSA-N 0 3 314.345 2.253 20 5 DEBDHN C[C@@H]([N@H+](C)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C1(C)CC1 ZINC001589912494 1076529714 /nfs/dbraw/zinc/52/97/14/1076529714.db2.gz YORWELALGJASMM-SNVBAGLBSA-N 0 3 316.365 2.395 20 5 DEBDHN C[C@@H]([N@@H+](C)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C1(C)CC1 ZINC001589912494 1076529717 /nfs/dbraw/zinc/52/97/17/1076529717.db2.gz YORWELALGJASMM-SNVBAGLBSA-N 0 3 316.365 2.395 20 5 DEBDHN C[C@@H]([N@H+](C)Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C1(C)CC1 ZINC001589912494 1076529719 /nfs/dbraw/zinc/52/97/19/1076529719.db2.gz YORWELALGJASMM-SNVBAGLBSA-N 0 3 316.365 2.395 20 5 DEBDHN C[C@@H]([N@@H+](C)Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C1(C)CC1 ZINC001589912494 1076529721 /nfs/dbraw/zinc/52/97/21/1076529721.db2.gz YORWELALGJASMM-SNVBAGLBSA-N 0 3 316.365 2.395 20 5 DEBDHN CC1(C)CC[C@@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590091890 1076561822 /nfs/dbraw/zinc/56/18/22/1076561822.db2.gz BCHVDZGUVSYYER-LBPRGKRZSA-N 0 3 302.338 2.053 20 5 DEBDHN C[C@@H]1CCC[C@@H]1[NH2+]Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590247280 1076599047 /nfs/dbraw/zinc/59/90/47/1076599047.db2.gz JGFPFMKVBZZKHV-SKDRFNHKSA-N 0 3 302.338 2.053 20 5 DEBDHN C[C@@H]1CCC[C@@H]1[NH2+]Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001590247280 1076599048 /nfs/dbraw/zinc/59/90/48/1076599048.db2.gz JGFPFMKVBZZKHV-SKDRFNHKSA-N 0 3 302.338 2.053 20 5 DEBDHN CC1(C)CCC[C@@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609145376 1077771870 /nfs/dbraw/zinc/77/18/70/1077771870.db2.gz LXVNLDKHJVQFSG-ZDUSSCGKSA-N 0 3 316.365 2.443 20 5 DEBDHN CC1(C)CCC[C@@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609145376 1077771872 /nfs/dbraw/zinc/77/18/72/1077771872.db2.gz LXVNLDKHJVQFSG-ZDUSSCGKSA-N 0 3 316.365 2.443 20 5 DEBDHN COc1cc(CN[C@H](CO)CCC(C)C)c([N+](=O)[O-])cc1O ZINC001656629846 1080107481 /nfs/dbraw/zinc/10/74/81/1080107481.db2.gz ACUIVFYCJHWYLO-LBPRGKRZSA-N 0 3 312.366 2.196 20 5 DEBDHN COc1cc(C[NH2+][C@H](CO)CCC(C)C)c([N+](=O)[O-])cc1[O-] ZINC001656629846 1080107484 /nfs/dbraw/zinc/10/74/84/1080107484.db2.gz ACUIVFYCJHWYLO-LBPRGKRZSA-N 0 3 312.366 2.196 20 5 DEBDHN CC(C)N(C)CC(=O)NC/C=C\CNc1ccccc1[N+](=O)[O-] ZINC001107232676 1080687465 /nfs/dbraw/zinc/68/74/65/1080687465.db2.gz FGASZEMEQVGPLW-SREVYHEPSA-N 0 3 320.393 2.019 20 5 DEBDHN C[C@@H]1COC[C@H]1NCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000710869110 1086689169 /nfs/dbraw/zinc/68/91/69/1086689169.db2.gz KHFPWGWTIRJYMQ-LDYMZIIASA-N 0 3 315.167 2.482 20 5 DEBDHN COC(=O)[C@@H]1CCC[C@H]1NCc1ccc([N+](=O)[O-])cc1OC ZINC001323365901 1141846424 /nfs/dbraw/zinc/84/64/24/1141846424.db2.gz LYSAYVUQCRPGMY-CHWSQXEVSA-N 0 3 308.334 2.035 20 5 DEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCc1cn2cccnc2n1 ZINC001254534637 1143239997 /nfs/dbraw/zinc/23/99/97/1143239997.db2.gz ZOSYIKXGNRJHFF-GFCCVEGCSA-N 0 3 311.345 2.358 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1C[C@@H]3COC[C@H](C1)C3(F)F)C2 ZINC001254607947 1143279349 /nfs/dbraw/zinc/27/93/49/1143279349.db2.gz NRPMEFMGAFVSJY-GUTXKFCHSA-N 0 3 324.327 2.276 20 5 DEBDHN CN1C[C@]23CN(c4ncc([N+](=O)[O-])s4)C[C@@]2(C1)CCCC3 ZINC001262716406 1144330239 /nfs/dbraw/zinc/33/02/39/1144330239.db2.gz DTBIXBHHQTWCGH-OKILXGFUSA-N 0 3 308.407 2.364 20 5 DEBDHN CCN1C[C@@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])C(C)(C)C1 ZINC001304040968 1147343581 /nfs/dbraw/zinc/34/35/81/1147343581.db2.gz DRGVNHAQSOLDSH-CYBMUJFWSA-N 0 3 309.341 2.194 20 5 DEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCCc2ccccc2C1 ZINC000090529829 185300754 /nfs/dbraw/zinc/30/07/54/185300754.db2.gz ZDEZTKYDNHRKEZ-UHFFFAOYSA-N 0 3 313.357 2.205 20 5 DEBDHN COCCN(C)CCNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000092642795 185330710 /nfs/dbraw/zinc/33/07/10/185330710.db2.gz PADXAIDHOIMZCU-UHFFFAOYSA-N 0 3 319.308 2.186 20 5 DEBDHN CCN(CCNC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)C1CC1 ZINC000272787965 210191602 /nfs/dbraw/zinc/19/16/02/210191602.db2.gz FYHQMTSMGOEGJV-UHFFFAOYSA-N 0 3 322.365 2.209 20 5 DEBDHN CCN1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000152524401 186081404 /nfs/dbraw/zinc/08/14/04/186081404.db2.gz SQLHBCIZYJAKPQ-LLVKDONJSA-N 0 3 311.769 2.462 20 5 DEBDHN Cc1c(CC(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000269586715 186392169 /nfs/dbraw/zinc/39/21/69/186392169.db2.gz BPURMGHSERPRRW-XHDPSFHLSA-N 0 3 317.389 2.045 20 5 DEBDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC000072930079 191252779 /nfs/dbraw/zinc/25/27/79/191252779.db2.gz CBSIOVJSRQITLQ-GXTWGEPZSA-N 0 3 304.350 2.295 20 5 DEBDHN COC1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000041897008 354180694 /nfs/dbraw/zinc/18/06/94/354180694.db2.gz TVGWDSKQFNLRKF-UHFFFAOYSA-N 0 3 307.350 2.034 20 5 DEBDHN C[C@H]1CCCN(CCNC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000046381277 354281513 /nfs/dbraw/zinc/28/15/13/354281513.db2.gz JPDIBFXDYKBDAL-LBPRGKRZSA-N 0 3 306.366 2.448 20 5 DEBDHN C[C@@H](CNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])N(C)C1CC1 ZINC000057706052 354577402 /nfs/dbraw/zinc/57/74/02/354577402.db2.gz MTAMEEXEEZZZAW-VUQUXZKVSA-N 0 3 321.352 2.346 20 5 DEBDHN O=C(N[C@@H]1CCN(C2CC2)C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000063114352 354639327 /nfs/dbraw/zinc/63/93/27/354639327.db2.gz OICMMFPCJOQOGO-LLVKDONJSA-N 0 3 314.345 2.043 20 5 DEBDHN Cc1cccc(C(=O)N2CCCN(C(C)C)CC2)c1[N+](=O)[O-] ZINC000068781190 354831516 /nfs/dbraw/zinc/83/15/16/354831516.db2.gz MGWBKBQQRMBSMV-UHFFFAOYSA-N 0 3 305.378 2.460 20 5 DEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](CN2CCOCC2)C1 ZINC000072688489 354913540 /nfs/dbraw/zinc/91/35/40/354913540.db2.gz SWDCMFBCHNMHIC-HUUCEWRRSA-N 0 3 319.405 2.310 20 5 DEBDHN C[C@@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000087303753 355508048 /nfs/dbraw/zinc/50/80/48/355508048.db2.gz KOECJCFJWUXTDT-ZDUSSCGKSA-N 0 3 305.378 2.128 20 5 DEBDHN Cc1ccc(NC(=O)CCNCc2cccc([N+](=O)[O-])c2)nc1 ZINC000113353203 355758508 /nfs/dbraw/zinc/75/85/08/355758508.db2.gz LHCXIPYJRFPLHG-UHFFFAOYSA-N 0 3 314.345 2.417 20 5 DEBDHN C[C@](CO)(NCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000322611454 356453831 /nfs/dbraw/zinc/45/38/31/356453831.db2.gz SOTDKTYNWOLNJY-QGZVFWFLSA-N 0 3 316.357 2.471 20 5 DEBDHN C[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)N2C)c1cccc([N+](=O)[O-])c1 ZINC000579422333 356969785 /nfs/dbraw/zinc/96/97/85/356969785.db2.gz BYKJSXHWQMSLAD-BJJXKVORSA-N 0 3 317.389 2.393 20 5 DEBDHN C[C@@H]1[C@H](C)N(C)CCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000588011377 357388171 /nfs/dbraw/zinc/38/81/71/357388171.db2.gz CTSSVNXNAMKWIU-DTWKUNHWSA-N 0 3 307.379 2.128 20 5 DEBDHN O=[N+]([O-])c1cccc(CN[C@H]([C@@H]2CCCO2)C2(CO)CCC2)c1 ZINC000589521380 357477866 /nfs/dbraw/zinc/47/78/66/357477866.db2.gz WZPVPZKYRAPRLR-JKSUJKDBSA-N 0 3 320.389 2.395 20 5 DEBDHN COC(=O)[C@@H]1CCC[C@@H]1NCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000590751867 357600741 /nfs/dbraw/zinc/60/07/41/357600741.db2.gz JNXCLMNCFVIIQC-NEPJUHHUSA-N 0 3 308.334 2.035 20 5 DEBDHN CCOc1cc(CN[C@H]2CCC[C@H]2C(=O)OC)ccc1[N+](=O)[O-] ZINC000590753830 357601756 /nfs/dbraw/zinc/60/17/56/357601756.db2.gz DDMMEEQPGJWXGB-OLZOCXBDSA-N 0 3 322.361 2.425 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](O)C[C@@H]1C ZINC000292355893 223016183 /nfs/dbraw/zinc/01/61/83/223016183.db2.gz HVCFYIPDJOZVKI-JSGCOSHPSA-N 0 3 321.377 2.077 20 5 DEBDHN C[C@@H]1C[C@@H](CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@H](C)O1 ZINC000591265388 357697049 /nfs/dbraw/zinc/69/70/49/357697049.db2.gz HFECWTKFKUASHB-WOPDTQHZSA-N 0 3 322.361 2.269 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000591529549 357733250 /nfs/dbraw/zinc/73/32/50/357733250.db2.gz OOXRXCAFGBXVLH-AWEZNQCLSA-N 0 3 317.389 2.426 20 5 DEBDHN C[C@H](NC(=O)[C@@H]1CNCCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000591667880 357749480 /nfs/dbraw/zinc/74/94/80/357749480.db2.gz DRWDFUZKGQBZRI-CABZTGNLSA-N 0 3 313.304 2.017 20 5 DEBDHN CSc1ccc(C(=O)N2CCNCC2(C)C)cc1[N+](=O)[O-] ZINC000591678552 357750807 /nfs/dbraw/zinc/75/08/07/357750807.db2.gz XXGLPEIAVKQATJ-UHFFFAOYSA-N 0 3 309.391 2.141 20 5 DEBDHN O=[N+]([O-])c1ccccc1CN[C@@H](CO)Cc1ccc(F)cc1 ZINC000276729790 213072294 /nfs/dbraw/zinc/07/22/94/213072294.db2.gz VDAKYQCMEYVZHT-OAHLLOKOSA-N 0 3 304.321 2.427 20 5 DEBDHN CCOc1ccc([C@@H](C)N[C@@H](CO)CCF)cc1[N+](=O)[O-] ZINC000593718437 358129549 /nfs/dbraw/zinc/12/95/49/358129549.db2.gz HHMHOAPQBRRGMI-ZYHUDNBSSA-N 0 3 300.330 2.365 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC[C@@]1(O)CCCOC1 ZINC000593719614 358129960 /nfs/dbraw/zinc/12/99/60/358129960.db2.gz GEKJYDVKGXQIHF-BBRMVZONSA-N 0 3 308.378 2.485 20 5 DEBDHN O=C(N[C@H]1CCCN2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1F ZINC000594200276 358222975 /nfs/dbraw/zinc/22/29/75/358222975.db2.gz KMNROKJTSNWMPW-GJZGRUSLSA-N 0 3 321.352 2.481 20 5 DEBDHN CC(C)Oc1nc(N2CC[C@H]3CCN(C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000594576830 358296084 /nfs/dbraw/zinc/29/60/84/358296084.db2.gz BGTQIRVHGXDOOK-TZMCWYRMSA-N 0 3 320.393 2.307 20 5 DEBDHN CC(C)(C)N1C[C@H](CNCc2csc([N+](=O)[O-])c2)CC1=O ZINC000594992483 358374445 /nfs/dbraw/zinc/37/44/45/358374445.db2.gz FODNHMMFMHPALY-JTQLQIEISA-N 0 3 311.407 2.393 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H]1CCOC[C@@H]1OC ZINC000595040216 358381984 /nfs/dbraw/zinc/38/19/84/358381984.db2.gz DTUICZOGPZXDPR-OZVIIMIRSA-N 0 3 324.377 2.306 20 5 DEBDHN COCC[C@@](C)(O)CN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595009827 358377694 /nfs/dbraw/zinc/37/76/94/358377694.db2.gz SVEMDNUNNKHGCW-IAQYHMDHSA-N 0 3 312.366 2.042 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCCO[C@@H]1CCOC1 ZINC000595018398 358378355 /nfs/dbraw/zinc/37/83/55/358378355.db2.gz NNHFFYPEKAWNTA-TZMCWYRMSA-N 0 3 324.377 2.450 20 5 DEBDHN CNC(=O)[C@@H]1CCC[C@H]1N[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595036381 358381300 /nfs/dbraw/zinc/38/13/00/358381300.db2.gz RVIIVUFDOXNBFJ-LERXQTSPSA-N 0 3 321.377 2.169 20 5 DEBDHN Cc1c(CN2CC[C@@H]3NC(=O)CC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000595738448 358537835 /nfs/dbraw/zinc/53/78/35/358537835.db2.gz IGEMSZKBCSBJNI-KBPBESRZSA-N 0 3 303.362 2.004 20 5 DEBDHN CN(C)[C@@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])c1cccs1 ZINC000596055554 358599701 /nfs/dbraw/zinc/59/97/01/358599701.db2.gz QQWDWWUDDSYYNO-JTQLQIEISA-N 0 3 308.363 2.472 20 5 DEBDHN CC[NH+](CC)CC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596080837 358606478 /nfs/dbraw/zinc/60/64/78/358606478.db2.gz NREKDUDCZZOTLL-UHFFFAOYSA-N 0 3 308.382 2.254 20 5 DEBDHN C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596086027 358606938 /nfs/dbraw/zinc/60/69/38/358606938.db2.gz SPDPVGBABRJKEL-GRYCIOLGSA-N 0 3 308.382 2.474 20 5 DEBDHN C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596086027 358606939 /nfs/dbraw/zinc/60/69/39/358606939.db2.gz SPDPVGBABRJKEL-GRYCIOLGSA-N 0 3 308.382 2.474 20 5 DEBDHN CCOC(=O)c1cc(N[C@H]2CCN(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000596091119 358608609 /nfs/dbraw/zinc/60/86/09/358608609.db2.gz VKQVXYRAJDWUJD-LBPRGKRZSA-N 0 3 319.361 2.420 20 5 DEBDHN O=c1[n-]ccc(N2CCC[C@H]([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000596135100 358619315 /nfs/dbraw/zinc/61/93/15/358619315.db2.gz RFOSZZPSDHMKGO-LBPRGKRZSA-N 0 3 306.366 2.150 20 5 DEBDHN CCCN1CC[C@@H](Nc2ccc(CC(=O)OC)cc2[N+](=O)[O-])C1 ZINC000596517314 358705025 /nfs/dbraw/zinc/70/50/25/358705025.db2.gz MLGUFJZWNFPMKW-CYBMUJFWSA-N 0 3 321.377 2.207 20 5 DEBDHN CCCN1CC[C@H](Nc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000596517656 358705116 /nfs/dbraw/zinc/70/51/16/358705116.db2.gz QKVNIQUGOPAHSO-NSHDSACASA-N 0 3 301.350 2.434 20 5 DEBDHN CC[C@H]1CN(C)CCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000597603293 358960449 /nfs/dbraw/zinc/96/04/49/358960449.db2.gz BHUOISYUUPFTEH-ZDUSSCGKSA-N 0 3 309.341 2.290 20 5 DEBDHN CC[C@@H]1CN(C)CCCN1C(=O)c1cccc([N+](=O)[O-])c1OC ZINC000597603780 358960581 /nfs/dbraw/zinc/96/05/81/358960581.db2.gz DUVVWSFNFUAXII-GFCCVEGCSA-N 0 3 321.377 2.160 20 5 DEBDHN CCn1nncc1CN[C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000599062824 359393503 /nfs/dbraw/zinc/39/35/03/359393503.db2.gz UNRBPIBWWJILRO-GFCCVEGCSA-N 0 3 303.366 2.317 20 5 DEBDHN O=c1ccc([C@@H]2OCC[C@H]2NCc2ccccc2[N+](=O)[O-])c[nH]1 ZINC000599629348 359547066 /nfs/dbraw/zinc/54/70/66/359547066.db2.gz KQMCXAYSAHUGRD-CJNGLKHVSA-N 0 3 315.329 2.315 20 5 DEBDHN CC[C@]1(CO)CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000187594203 200132106 /nfs/dbraw/zinc/13/21/06/200132106.db2.gz BFXKGZWURFACKI-INIZCTEOSA-N 0 3 308.378 2.458 20 5 DEBDHN O=[N+]([O-])c1ccc2nc(NCCN3CCCOCC3)ccc2c1 ZINC000188503871 200258303 /nfs/dbraw/zinc/25/83/03/200258303.db2.gz MTZCGWSCIQSFEX-UHFFFAOYSA-N 0 3 316.361 2.277 20 5 DEBDHN O=C(N[C@H]1CCCN2CCCC[C@@H]12)c1c(F)cccc1[N+](=O)[O-] ZINC000601662932 360104059 /nfs/dbraw/zinc/10/40/59/360104059.db2.gz VNPCXSGOIBBVGN-STQMWFEESA-N 0 3 321.352 2.481 20 5 DEBDHN CC(C)(C)N1CC[C@@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601666726 360106331 /nfs/dbraw/zinc/10/63/31/360106331.db2.gz QKWQMUQGIQKQID-SNVBAGLBSA-N 0 3 309.341 2.337 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)CN(C)CC(C)(C)C ZINC000602071676 360255284 /nfs/dbraw/zinc/25/52/84/360255284.db2.gz DAHDOPVJGDYXTC-UHFFFAOYSA-N 0 3 323.393 2.198 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@H]1CCO[C@H]1c1ccccc1 ZINC000602918422 360626269 /nfs/dbraw/zinc/62/62/69/360626269.db2.gz PWJIWLXPMWFVQA-ZBFHGGJFSA-N 0 3 316.361 2.220 20 5 DEBDHN O=[N+]([O-])c1c(NC[C@@H]2CSCCN2)ccc2ncccc21 ZINC000603419765 360827016 /nfs/dbraw/zinc/82/70/16/360827016.db2.gz PXUNEYNILOMDIZ-SNVBAGLBSA-N 0 3 304.375 2.260 20 5 DEBDHN CC[C@H](CN1CCCC1)NC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000610922969 361492740 /nfs/dbraw/zinc/49/27/40/361492740.db2.gz SAUIHMLNNHBBKE-LLVKDONJSA-N 0 3 323.397 2.046 20 5 DEBDHN CC[C@@H](CN1CCCC1)NC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619436949 363793548 /nfs/dbraw/zinc/79/35/48/363793548.db2.gz ZOYZBUYCBUHQOD-LBPRGKRZSA-N 0 3 321.377 2.208 20 5 DEBDHN CO[C@@H]1CCC[C@H]1CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611377036 361588512 /nfs/dbraw/zinc/58/85/12/361588512.db2.gz QXAQIMOFZRTKMX-SMDDNHRTSA-N 0 3 322.361 2.271 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(C2CC2)CC1 ZINC000195308041 201378089 /nfs/dbraw/zinc/37/80/89/201378089.db2.gz NAANISDXCGYLSS-UHFFFAOYSA-N 0 3 319.361 2.416 20 5 DEBDHN CO[C@H]1CCCC[C@@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000275292569 212252989 /nfs/dbraw/zinc/25/29/89/212252989.db2.gz YEANSRCDUXORGU-JSGCOSHPSA-N 0 3 307.350 2.081 20 5 DEBDHN CN1CC=C(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000271790677 209217897 /nfs/dbraw/zinc/21/78/97/209217897.db2.gz IYTCUSXKTBGEFY-UHFFFAOYSA-N 0 3 316.361 2.153 20 5 DEBDHN O=[N+]([O-])c1ccc([C@@H]2CCCN(CCN3CCOCC3)C2)cc1 ZINC000451549179 243099765 /nfs/dbraw/zinc/09/97/65/243099765.db2.gz PCFOPJAXRDIEGT-MRXNPFEDSA-N 0 3 319.405 2.106 20 5 DEBDHN O=[N+]([O-])c1cc(CN[C@@H]2CCC[C@H]2CCO)c2c(c1)COCO2 ZINC000275026813 212081933 /nfs/dbraw/zinc/08/19/33/212081933.db2.gz AAPREWPDRSHZRI-XHDPSFHLSA-N 0 3 322.361 2.102 20 5 DEBDHN O=[N+]([O-])c1cc(CN[C@H]2CCC[C@@H]2CCO)c2c(c1)COCO2 ZINC000275026810 212081825 /nfs/dbraw/zinc/08/18/25/212081825.db2.gz AAPREWPDRSHZRI-ABAIWWIYSA-N 0 3 322.361 2.102 20 5 DEBDHN CCO[C@@H]1C[C@H](NC/C=C/c2ccccc2[N+](=O)[O-])[C@@H]1OC ZINC000274983211 212056218 /nfs/dbraw/zinc/05/62/18/212056218.db2.gz XWKWORZHVRJNBT-RWBRQCAESA-N 0 3 306.362 2.390 20 5 DEBDHN CCOc1ccc([C@H](C)NC[C@]2(C)CCC(=O)N2)cc1[N+](=O)[O-] ZINC000453447108 245145895 /nfs/dbraw/zinc/14/58/95/245145895.db2.gz ZBOYEIQBRJBSTI-ZBEGNZNMSA-N 0 3 321.377 2.313 20 5 DEBDHN COC(=O)[C@@H]1CC12CCN(Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000265080229 204382794 /nfs/dbraw/zinc/38/27/94/204382794.db2.gz RFIZSKNKVDXDLI-AWEZNQCLSA-N 0 3 304.346 2.370 20 5 DEBDHN Cc1nc2n(n1)C[C@@H](N[C@H](C)c1ccccc1[N+](=O)[O-])CC2 ZINC000266522601 205406066 /nfs/dbraw/zinc/40/60/66/205406066.db2.gz ZVADRBWBZFYRDZ-PWSUYJOCSA-N 0 3 301.350 2.160 20 5 DEBDHN C[C@@H]1CN(CCCCNc2ccc([N+](=O)[O-])cn2)C[C@@H](C)O1 ZINC000267966220 206365049 /nfs/dbraw/zinc/36/50/49/206365049.db2.gz USZCCJGTSZEPSO-CHWSQXEVSA-N 0 3 308.382 2.291 20 5 DEBDHN CN(CCN1CCCC1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000492861985 249157556 /nfs/dbraw/zinc/15/75/56/249157556.db2.gz IAPFGMLBLOWZOL-RMKNXTFCSA-N 0 3 303.362 2.162 20 5 DEBDHN CN(C[C@@H]1CCCN1C)C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493335384 249280162 /nfs/dbraw/zinc/28/01/62/249280162.db2.gz LEILRMRKTASKLL-QPBFKRLHSA-N 0 3 321.352 2.300 20 5 DEBDHN C[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000532276958 284672240 /nfs/dbraw/zinc/67/22/40/284672240.db2.gz CQNDYPSIIIFLOE-ZDUSSCGKSA-N 0 3 319.405 2.473 20 5 DEBDHN CN1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000104661095 194022296 /nfs/dbraw/zinc/02/22/96/194022296.db2.gz HTFUKXYXPZRTHO-UHFFFAOYSA-N 0 3 316.361 2.040 20 5 DEBDHN CN(C)[C@@H]1CCCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000106363881 194201433 /nfs/dbraw/zinc/20/14/33/194201433.db2.gz GJWCRAWEMYANIV-GFCCVEGCSA-N 0 3 316.361 2.242 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC1CCN(C)CC1 ZINC000119854558 195049815 /nfs/dbraw/zinc/04/98/15/195049815.db2.gz INKDQTWXXYBXGY-UHFFFAOYSA-N 0 3 306.366 2.427 20 5 DEBDHN COCCO[C@@H]1COCC[C@@H]1N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000362714023 285111032 /nfs/dbraw/zinc/11/10/32/285111032.db2.gz CNGUQMSCOCHJHP-UHOFOFEASA-N 0 3 324.377 2.066 20 5 DEBDHN NC(=O)[C@@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000157116647 197163130 /nfs/dbraw/zinc/16/31/30/197163130.db2.gz JGTJTSUJUHOHBE-GFCCVEGCSA-N 0 3 315.329 2.162 20 5 DEBDHN O=C(CN[C@H](CO)C1CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000541982761 285203812 /nfs/dbraw/zinc/20/38/12/285203812.db2.gz JETHQAAHGFNIQM-CQSZACIVSA-N 0 3 321.377 2.064 20 5 DEBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCc1ccccc1 ZINC000543121968 285270535 /nfs/dbraw/zinc/27/05/35/285270535.db2.gz SQWXJLNRFYLDNJ-AWEZNQCLSA-N 0 3 302.330 2.124 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@](C)(O)CSC ZINC000120615501 195202419 /nfs/dbraw/zinc/20/24/19/195202419.db2.gz BSIRWYFOHHUBMI-CQSZACIVSA-N 0 3 314.407 2.197 20 5 DEBDHN COC[C@@]1(C(=O)OC)CCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000451340057 285320108 /nfs/dbraw/zinc/32/01/08/285320108.db2.gz VZKHTSYDCRUUDM-MLGOLLRUSA-N 0 3 322.361 2.167 20 5 DEBDHN C[C@@H]1C[C@H](NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CCN1C ZINC000340696300 132161066 /nfs/dbraw/zinc/16/10/66/132161066.db2.gz LGZXXOYEBRJONC-CHWSQXEVSA-N 0 3 319.405 2.471 20 5 DEBDHN COC(=O)COc1ccc(CN2C[C@H](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000355734021 133044947 /nfs/dbraw/zinc/04/49/47/133044947.db2.gz SVIQTEOPBHZGLA-RYUDHWBXSA-N 0 3 322.361 2.234 20 5 DEBDHN C[C@H](CCN1CCOCC1)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000358148541 133124471 /nfs/dbraw/zinc/12/44/71/133124471.db2.gz GBRKQJLIWOKAGK-KGLIPLIRSA-N 0 3 307.394 2.356 20 5 DEBDHN C[C@@H]1C[C@@H](c2cccnc2)N(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000376549808 133300144 /nfs/dbraw/zinc/30/01/44/133300144.db2.gz BEDNJDHARNJNGB-OCCSQVGLSA-N 0 3 301.350 2.269 20 5 DEBDHN CC1(C)CC[C@H](CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)O1 ZINC000373287183 133385503 /nfs/dbraw/zinc/38/55/03/133385503.db2.gz UFTQNVDGAVHGMO-CYBMUJFWSA-N 0 3 308.382 2.386 20 5 DEBDHN COc1cc(CN[C@@H]2C[C@H]3OCCC[C@H]23)c([N+](=O)[O-])cc1OC ZINC000190347240 145041022 /nfs/dbraw/zinc/04/10/22/145041022.db2.gz OBBCTDMFFUWVFZ-YRGRVCCFSA-N 0 3 322.361 2.269 20 5 DEBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@H]3OCCC[C@H]3C2)c1 ZINC000246236310 145096085 /nfs/dbraw/zinc/09/60/85/145096085.db2.gz HCVZKELCHKZCFN-NUEKZKHPSA-N 0 3 306.362 2.129 20 5 DEBDHN COc1cc(CN[C@@H]2C[C@@H]3OCCC[C@@H]23)c([N+](=O)[O-])cc1OC ZINC000249843176 145190539 /nfs/dbraw/zinc/19/05/39/145190539.db2.gz OBBCTDMFFUWVFZ-SCRDCRAPSA-N 0 3 322.361 2.269 20 5 DEBDHN COc1ccc(NC(=O)N2CCN(C)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000346103350 146015912 /nfs/dbraw/zinc/01/59/12/146015912.db2.gz CGEVPTIPAZVOIC-LLVKDONJSA-N 0 3 322.365 2.161 20 5 DEBDHN C[C@H](CN(C)C)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000346279096 146052590 /nfs/dbraw/zinc/05/25/90/146052590.db2.gz UXJLRMCGQKSKEH-MRVPVSSYSA-N 0 3 319.283 2.294 20 5 DEBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC(C2CCC2)C1 ZINC000348966191 146334649 /nfs/dbraw/zinc/33/46/49/146334649.db2.gz NYMYOBDFHOCBDR-CQSZACIVSA-N 0 3 306.362 2.066 20 5 DEBDHN Cc1ccc([C@@H](C)N[C@@H](CO)C2CCOCC2)cc1[N+](=O)[O-] ZINC000360816485 147389099 /nfs/dbraw/zinc/38/90/99/147389099.db2.gz NXVWXHAVAWFOEA-DOMZBBRYSA-N 0 3 308.378 2.341 20 5 DEBDHN CCN(C)CCNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000127876813 401753834 /nfs/dbraw/zinc/75/38/34/401753834.db2.gz NIYVIZXXVJOVIL-UHFFFAOYSA-N 0 3 319.283 2.295 20 5 DEBDHN COC[C@H](O)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000117946168 401888091 /nfs/dbraw/zinc/88/80/91/401888091.db2.gz XIGZRFOFXIXXPB-CYBMUJFWSA-N 0 3 322.386 2.420 20 5 DEBDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000134359834 401902006 /nfs/dbraw/zinc/90/20/06/401902006.db2.gz QRDKQXQRCXELDZ-NSHDSACASA-N 0 3 309.341 2.148 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000119459510 401951732 /nfs/dbraw/zinc/95/17/32/401951732.db2.gz MUIWXTVZPGLEKR-BBRMVZONSA-N 0 3 317.389 2.460 20 5 DEBDHN COc1ccc(CN2CCN(CC(C)C)CC2)cc1[N+](=O)[O-] ZINC000051124195 402031857 /nfs/dbraw/zinc/03/18/57/402031857.db2.gz BNIBEKYLJCYWRB-UHFFFAOYSA-N 0 3 307.394 2.377 20 5 DEBDHN CCCN(CCC)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000052870227 402048195 /nfs/dbraw/zinc/04/81/95/402048195.db2.gz IRZJXSVGKINPAZ-UHFFFAOYSA-N 0 3 323.349 2.384 20 5 DEBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000055400521 402080875 /nfs/dbraw/zinc/08/08/75/402080875.db2.gz PTXZAWQDAOETLI-NWDGAFQWSA-N 0 3 320.393 2.027 20 5 DEBDHN CN(CC1CCN(C)CC1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000103453495 402189124 /nfs/dbraw/zinc/18/91/24/402189124.db2.gz HBYZXNSJUCOIDL-VMPITWQZSA-N 0 3 317.389 2.408 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCSCC1 ZINC000103467839 402190102 /nfs/dbraw/zinc/19/01/02/402190102.db2.gz BCFPBPKOXUYPQR-UHFFFAOYSA-N 0 3 309.391 2.281 20 5 DEBDHN Cc1ccc(NC(=O)NC[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000108494604 402255175 /nfs/dbraw/zinc/25/51/75/402255175.db2.gz DBGAZEHWHFTBEG-GFCCVEGCSA-N 0 3 306.366 2.367 20 5 DEBDHN CN(C)CCN(Cc1ccco1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000156390346 402282186 /nfs/dbraw/zinc/28/21/86/402282186.db2.gz DBSLELFZTFKLME-UHFFFAOYSA-N 0 3 317.345 2.392 20 5 DEBDHN CCOC(=O)N1CC[C@H](N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000185039827 402319103 /nfs/dbraw/zinc/31/91/03/402319103.db2.gz YKNRABOXCWJJGO-YPMHNXCESA-N 0 3 307.350 2.476 20 5 DEBDHN C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)CN1C1CC1 ZINC000177057000 402365127 /nfs/dbraw/zinc/36/51/27/402365127.db2.gz QMCQCSNNLRPRJS-NXEZZACHSA-N 0 3 307.325 2.089 20 5 DEBDHN CCN1CCCN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000159696569 402329167 /nfs/dbraw/zinc/32/91/67/402329167.db2.gz HIXQKQXHICIGPN-CYBMUJFWSA-N 0 3 320.393 2.393 20 5 DEBDHN CC[C@H](C)[C@@H](N)C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000237065633 402393403 /nfs/dbraw/zinc/39/34/03/402393403.db2.gz PGXBGPAWLBLNHY-SWLSCSKDSA-N 0 3 322.409 2.195 20 5 DEBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000247310095 402563102 /nfs/dbraw/zinc/56/31/02/402563102.db2.gz HJZSXYXAMAQODW-QMTHXVAHSA-N 0 3 309.341 2.146 20 5 DEBDHN COc1cc(C(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000247504872 402570178 /nfs/dbraw/zinc/57/01/78/402570178.db2.gz VEWDMRFRLQSUMV-DGCLKSJQSA-N 0 3 321.377 2.016 20 5 DEBDHN COC(=O)C[C@@H]1CCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000179126229 402574322 /nfs/dbraw/zinc/57/43/22/402574322.db2.gz LORWGMKBHBVIJI-LBPRGKRZSA-N 0 3 308.334 2.001 20 5 DEBDHN CCN1CCCC[C@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000171460615 402588265 /nfs/dbraw/zinc/58/82/65/402588265.db2.gz IHSAWFBVLYAZAC-HNNXBMFYSA-N 0 3 305.378 2.128 20 5 DEBDHN COc1cccc(C(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)c1[N+](=O)[O-] ZINC000248875563 402612267 /nfs/dbraw/zinc/61/22/67/402612267.db2.gz QQPUWECGNZFXFR-DGCLKSJQSA-N 0 3 321.377 2.016 20 5 DEBDHN COCC[C@@](C)(O)CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192871939 402754518 /nfs/dbraw/zinc/75/45/18/402754518.db2.gz AAXBNCYUGRKPEX-JKSUJKDBSA-N 0 3 308.378 2.349 20 5 DEBDHN CNC(=O)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000338714176 404493113 /nfs/dbraw/zinc/49/31/13/404493113.db2.gz RZXYIUMXPZZXPC-UHFFFAOYSA-N 0 3 305.359 2.159 20 5 DEBDHN C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)N1CCC[C@H](C)C1 ZINC000175989747 402846286 /nfs/dbraw/zinc/84/62/86/402846286.db2.gz NOHGMSHGURSQBO-RYUDHWBXSA-N 0 3 320.393 2.027 20 5 DEBDHN CCN(CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000265729027 402943910 /nfs/dbraw/zinc/94/39/10/402943910.db2.gz AKODDVDWIFXLGR-UHFFFAOYSA-N 0 3 319.405 2.473 20 5 DEBDHN CC(C)Oc1nc(N(C)[C@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000566571599 292253235 /nfs/dbraw/zinc/25/32/35/292253235.db2.gz GGXXRVNBEGCGLZ-LBPRGKRZSA-N 0 3 308.382 2.307 20 5 DEBDHN CN1CCC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000265512006 402925566 /nfs/dbraw/zinc/92/55/66/402925566.db2.gz AOHHLJFUXMLXHF-GFCCVEGCSA-N 0 3 311.769 2.001 20 5 DEBDHN Cc1ccc(C(=O)NC[C@]2(N(C)C)CCSC2)cc1[N+](=O)[O-] ZINC000267065386 403012182 /nfs/dbraw/zinc/01/21/82/403012182.db2.gz CMPCHYAUKUBQCP-OAHLLOKOSA-N 0 3 323.418 2.070 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@]2(N(C)C)CCSC2)c1 ZINC000267062151 403012202 /nfs/dbraw/zinc/01/22/02/403012202.db2.gz BWJWBHVSWJJJBT-HNNXBMFYSA-N 0 3 323.418 2.070 20 5 DEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@H]2CC=CCC2)cc1 ZINC000273538708 403013085 /nfs/dbraw/zinc/01/30/85/403013085.db2.gz WQHPYJCGEJLWKA-ZDUSSCGKSA-N 0 3 324.402 2.314 20 5 DEBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000268240634 403065632 /nfs/dbraw/zinc/06/56/32/403065632.db2.gz UXMXKOQIGNDYDM-ZANVPECISA-N 0 3 323.780 2.461 20 5 DEBDHN CS[C@@H]1CN(c2ccc([N+](=O)[O-])c(C)n2)C[C@@H]1N1CCCC1 ZINC000274635028 403073621 /nfs/dbraw/zinc/07/36/21/403073621.db2.gz CZTZHMFWYSNOJX-UONOGXRCSA-N 0 3 322.434 2.314 20 5 DEBDHN CN1CCCC[C@H]1CCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000269539666 403147792 /nfs/dbraw/zinc/14/77/92/403147792.db2.gz BUYMOYRRQNWBMD-NSHDSACASA-N 0 3 317.345 2.065 20 5 DEBDHN COC(=O)CC1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000345336933 403292048 /nfs/dbraw/zinc/29/20/48/403292048.db2.gz VXFJHPKVHGKSDN-UHFFFAOYSA-N 0 3 322.361 2.249 20 5 DEBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000271013065 403253563 /nfs/dbraw/zinc/25/35/63/403253563.db2.gz MWRLSWVOSYDGQH-LBPRGKRZSA-N 0 3 305.378 2.397 20 5 DEBDHN C[C@H](NCC[S@](=O)C(C)(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284313398 403262249 /nfs/dbraw/zinc/26/22/49/403262249.db2.gz ZIYSPGQMOXYHHX-CWKPULSASA-N 0 3 313.423 2.375 20 5 DEBDHN O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCCN1C1CC1 ZINC000277927792 403271825 /nfs/dbraw/zinc/27/18/25/403271825.db2.gz NNSNQKAQEOSITH-INIZCTEOSA-N 0 3 317.389 2.270 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000345487317 403352156 /nfs/dbraw/zinc/35/21/56/403352156.db2.gz YLGCQWOUKRNSKP-RYUDHWBXSA-N 0 3 321.377 2.092 20 5 DEBDHN COc1c(C(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000331054363 403317808 /nfs/dbraw/zinc/31/78/08/403317808.db2.gz JWUNORYTPGPVDD-DGCLKSJQSA-N 0 3 321.377 2.016 20 5 DEBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCOC[C@H](C3CCC3)C2)c1 ZINC000292200003 403319498 /nfs/dbraw/zinc/31/94/98/403319498.db2.gz SCSOOJNXYIBMHC-WBVHZDCISA-N 0 3 320.389 2.377 20 5 DEBDHN O=[N+]([O-])c1ccc(CCN2CCC(O)(C(F)F)CC2)cc1 ZINC000331155909 403342110 /nfs/dbraw/zinc/34/21/10/403342110.db2.gz PLUYQBGJBKUWDK-UHFFFAOYSA-N 0 3 300.305 2.229 20 5 DEBDHN C[C@@H]1CCC[C@H]1NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000331605360 403428773 /nfs/dbraw/zinc/42/87/73/403428773.db2.gz HZXHIOWVZUGWNF-NXEZZACHSA-N 0 3 321.333 2.040 20 5 DEBDHN CN1CCCC(C)(C)[C@@H]1CNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000343052075 403445208 /nfs/dbraw/zinc/44/52/08/403445208.db2.gz JANYQMAJIBCDOR-ZDUSSCGKSA-N 0 3 320.393 2.226 20 5 DEBDHN CC(C)[C@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)CCN1C ZINC000343204049 403494516 /nfs/dbraw/zinc/49/45/16/403494516.db2.gz IGQXMDVWBLNGOR-LLVKDONJSA-N 0 3 321.406 2.376 20 5 DEBDHN C[C@@H]1[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CCCN1C ZINC000343455845 403597628 /nfs/dbraw/zinc/59/76/28/403597628.db2.gz JVQIASYHOJZFLC-PWSUYJOCSA-N 0 3 318.377 2.374 20 5 DEBDHN CCNc1ccc(C(=O)N[C@H]2CCCN(C)[C@H]2C)cc1[N+](=O)[O-] ZINC000343424035 403583562 /nfs/dbraw/zinc/58/35/62/403583562.db2.gz CDUNEPFLBDMXIT-AAEUAGOBSA-N 0 3 320.393 2.239 20 5 DEBDHN CCN1CCCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)OC)CC1 ZINC000287545055 403619631 /nfs/dbraw/zinc/61/96/31/403619631.db2.gz WAJUSKVTWIHOKQ-UHFFFAOYSA-N 0 3 321.377 2.222 20 5 DEBDHN CCCN1CCC[C@@H]1CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000343563290 403638804 /nfs/dbraw/zinc/63/88/04/403638804.db2.gz GTBTXXSVXZTJKS-CYBMUJFWSA-N 0 3 321.377 2.208 20 5 DEBDHN C[C@H]1[C@@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCCN1C ZINC000347262629 403641197 /nfs/dbraw/zinc/64/11/97/403641197.db2.gz NCZXNFMGCUQXSK-ZANVPECISA-N 0 3 310.329 2.338 20 5 DEBDHN CCN1CCN([C@H](C)CNc2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000301534636 403643158 /nfs/dbraw/zinc/64/31/58/403643158.db2.gz QIDKSUATYPKLHW-CQSZACIVSA-N 0 3 306.410 2.341 20 5 DEBDHN CN1CCC[C@]2(CCN(C(=O)Cc3ccccc3[N+](=O)[O-])C2)C1 ZINC000294169069 403664182 /nfs/dbraw/zinc/66/41/82/403664182.db2.gz OIOYQISSTBEGTJ-KRWDZBQOSA-N 0 3 317.389 2.082 20 5 DEBDHN CNC(=O)C1CCN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000347354795 403677691 /nfs/dbraw/zinc/67/76/91/403677691.db2.gz IUSJIFJTWYQAPC-JLHYYAGUSA-N 0 3 317.389 2.456 20 5 DEBDHN C[C@@H]1[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CCCN1C ZINC000343581387 403649698 /nfs/dbraw/zinc/64/96/98/403649698.db2.gz ZCOOLMPNNRVHMF-DOMZBBRYSA-N 0 3 319.405 2.471 20 5 DEBDHN CCCN(CCN1CCCCCC1)Cc1c([N+](=O)[O-])ncn1C ZINC000344021465 403853564 /nfs/dbraw/zinc/85/35/64/403853564.db2.gz GUVZYISMNYCRAD-UHFFFAOYSA-N 0 3 323.441 2.416 20 5 DEBDHN O=C(N[C@H]1CCN(C2CCCC2)C1)c1csc([N+](=O)[O-])c1 ZINC000369067954 403956223 /nfs/dbraw/zinc/95/62/23/403956223.db2.gz VPHIAQDUSWSRGL-NSHDSACASA-N 0 3 309.391 2.403 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H](C)CCN1CCOCC1 ZINC000350050182 404303654 /nfs/dbraw/zinc/30/36/54/404303654.db2.gz QSJUUVBXODFUIG-AWEZNQCLSA-N 0 3 307.394 2.104 20 5 DEBDHN C[C@H]1C[C@@H]1N1CCN(c2ncc([N+](=O)[O-])cc2F)C[C@@H](C)C1 ZINC000413299260 404422719 /nfs/dbraw/zinc/42/27/19/404422719.db2.gz HHBOPKMXSFIYCA-MJVIPROJSA-N 0 3 308.357 2.295 20 5 DEBDHN O=c1c2ccccc2n(CCN2CCCCC2)cc1[N+](=O)[O-] ZINC000291742763 404502744 /nfs/dbraw/zinc/50/27/44/404502744.db2.gz YWNHCJCHDTVSSN-UHFFFAOYSA-N 0 3 301.346 2.396 20 5 DEBDHN CC(C)NC(=O)[C@@H](C)N[C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000414329307 404578875 /nfs/dbraw/zinc/57/88/75/404578875.db2.gz BFMKQVQOJZHJPF-QWHCGFSZSA-N 0 3 307.394 2.419 20 5 DEBDHN Cc1[nH]ncc1CNc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000352788037 404621417 /nfs/dbraw/zinc/62/14/17/404621417.db2.gz IJVUUNJFALFDBZ-UHFFFAOYSA-N 0 3 324.344 2.426 20 5 DEBDHN COc1cc(C[NH2+]C[C@@H]2C[C@H](C)O[C@@H]2C)c([N+](=O)[O-])cc1[O-] ZINC000414523613 404665859 /nfs/dbraw/zinc/66/58/59/404665859.db2.gz YOIRMVONJCMLJC-AXFHLTTASA-N 0 3 310.350 2.212 20 5 DEBDHN COc1cc(C[NH2+]C[C@@H]2C[C@H](C)O[C@H]2C)c([N+](=O)[O-])cc1[O-] ZINC000414523614 404666214 /nfs/dbraw/zinc/66/62/14/404666214.db2.gz YOIRMVONJCMLJC-DCAQKATOSA-N 0 3 310.350 2.212 20 5 DEBDHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2CCOc1ccccc1[N+](=O)[O-] ZINC000377401928 404837615 /nfs/dbraw/zinc/83/76/15/404837615.db2.gz PZTPZMWEFPTJFF-CMSWKTDVSA-N 0 3 318.373 2.329 20 5 DEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@H](C)NC[C@H]1C ZINC000415572891 404887071 /nfs/dbraw/zinc/88/70/71/404887071.db2.gz BOXGDXXYZDRIAF-NWDGAFQWSA-N 0 3 306.366 2.426 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000415649361 404905477 /nfs/dbraw/zinc/90/54/77/404905477.db2.gz DHZZYWJFEVWEJQ-MNOVXSKESA-N 0 3 322.365 2.208 20 5 DEBDHN COc1c(C(=O)NCCN2CCCCCC2)cccc1[N+](=O)[O-] ZINC000354417538 405204500 /nfs/dbraw/zinc/20/45/00/405204500.db2.gz IGTUFDAPCMYECH-UHFFFAOYSA-N 0 3 321.377 2.209 20 5 DEBDHN Cc1c(NC(=O)N2CCC[C@H]3CN(C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000425620743 405308393 /nfs/dbraw/zinc/30/83/93/405308393.db2.gz JMFIAQBFYSYGPC-SWLSCSKDSA-N 0 3 318.377 2.461 20 5 DEBDHN C[C@H]1C[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CN1C1CC1 ZINC000440932299 405331270 /nfs/dbraw/zinc/33/12/70/405331270.db2.gz MSBWUYRZYHZPQA-JOYOIKCWSA-N 0 3 307.325 2.089 20 5 DEBDHN CN(C[C@H]1CCCN1C)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000421712915 405608045 /nfs/dbraw/zinc/60/80/45/405608045.db2.gz RSGAOYZGQRIFQZ-OAHLLOKOSA-N 0 3 305.378 2.080 20 5 DEBDHN CNc1c(C(=O)N(C)[C@H]2CCN(C(C)C)C2)cccc1[N+](=O)[O-] ZINC000457093342 405695390 /nfs/dbraw/zinc/69/53/90/405695390.db2.gz NZGBUHRQDSSERS-LBPRGKRZSA-N 0 3 320.393 2.191 20 5 DEBDHN COc1cc(C(=O)N(C)[C@@H]2CCN(C(C)C)C2)ccc1[N+](=O)[O-] ZINC000457123536 405709959 /nfs/dbraw/zinc/70/99/59/405709959.db2.gz PCZNNQSUXKXJIH-CYBMUJFWSA-N 0 3 321.377 2.158 20 5 DEBDHN CC[C@@H]1CN(CCN[C@H](C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000494457063 405703612 /nfs/dbraw/zinc/70/36/12/405703612.db2.gz QOWUWPUQWYMXQC-CZUORRHYSA-N 0 3 307.394 2.356 20 5 DEBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](CN2CCOC2=O)C1 ZINC000496343137 405964483 /nfs/dbraw/zinc/96/44/83/405964483.db2.gz LJLAUYAKINEEFI-CHWSQXEVSA-N 0 3 319.361 2.430 20 5 DEBDHN Cc1cc(NC[C@@H]2CCCN2CCCO)c(F)cc1[N+](=O)[O-] ZINC000450592390 405969883 /nfs/dbraw/zinc/96/98/83/405969883.db2.gz HKZMHGRREORVKW-LBPRGKRZSA-N 0 3 311.357 2.301 20 5 DEBDHN Cn1ccnc1[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000533865676 406163391 /nfs/dbraw/zinc/16/33/91/406163391.db2.gz WESCDPUSNUFMJZ-CYBMUJFWSA-N 0 3 316.361 2.197 20 5 DEBDHN CCOc1ccc([C@H](C)NC[C@](C)(O)COC)cc1[N+](=O)[O-] ZINC000534328324 406183890 /nfs/dbraw/zinc/18/38/90/406183890.db2.gz YGQVOVWDRIAFLO-NHYWBVRUSA-N 0 3 312.366 2.042 20 5 DEBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000488762051 406346636 /nfs/dbraw/zinc/34/66/36/406346636.db2.gz ONPULYPXVSWBQH-SGMGOOAPSA-N 0 3 321.425 2.286 20 5 DEBDHN CNc1ccc(C(=O)NC[C@H](CC(C)C)N(C)C)cc1[N+](=O)[O-] ZINC000522265207 406402635 /nfs/dbraw/zinc/40/26/35/406402635.db2.gz OPICCEHOYJXDNU-ZDUSSCGKSA-N 0 3 322.409 2.343 20 5 DEBDHN COCCN(CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCO[C@H]1C ZINC000489478945 406410687 /nfs/dbraw/zinc/41/06/87/406410687.db2.gz XQOUHOMNGQWOAA-BBRMVZONSA-N 0 3 324.377 2.099 20 5 DEBDHN COCCN(CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCO[C@@H]1C ZINC000489478947 406411523 /nfs/dbraw/zinc/41/15/23/406411523.db2.gz XQOUHOMNGQWOAA-CJNGLKHVSA-N 0 3 324.377 2.099 20 5 DEBDHN C[C@H]1CCN(CCNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000524720095 406454665 /nfs/dbraw/zinc/45/46/65/406454665.db2.gz XPBHAJSVRJKPSW-NSHDSACASA-N 0 3 316.361 2.148 20 5 DEBDHN CN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CN2CCC1CC2 ZINC000491799586 406726311 /nfs/dbraw/zinc/72/63/11/406726311.db2.gz VCLJRUUVAKUFBB-FYCOFBDGSA-N 0 3 315.373 2.161 20 5 DEBDHN C[C@@H]1C[C@@H](Nc2nc3sccn3c2[N+](=O)[O-])CN1C1CC1 ZINC000133544504 196331400 /nfs/dbraw/zinc/33/14/00/196331400.db2.gz MPTLORWOWPMZDJ-RKDXNWHRSA-N 0 3 307.379 2.341 20 5 DEBDHN Cc1cc(NCCCN2CCC(O)CC2)c(F)cc1[N+](=O)[O-] ZINC000291051065 222100316 /nfs/dbraw/zinc/10/03/16/222100316.db2.gz ZLEUFPPRQSETNY-UHFFFAOYSA-N 0 3 311.357 2.301 20 5 DEBDHN CN(C)CCN(Cc1ccco1)c1ncc([N+](=O)[O-])cc1F ZINC000413187212 228288793 /nfs/dbraw/zinc/28/87/93/228288793.db2.gz DLRZDIVVJBMSGO-UHFFFAOYSA-N 0 3 308.313 2.290 20 5 DEBDHN Cc1ccc([C@H](C)NC(=O)N2C[C@H](C)NC[C@@H]2C)cc1[N+](=O)[O-] ZINC000417821145 229114132 /nfs/dbraw/zinc/11/41/32/229114132.db2.gz DLXZBYGTWKCKOP-AVGNSLFASA-N 0 3 320.393 2.356 20 5 DEBDHN O=[N+]([O-])c1cnc(NCCCN2CCc3ccccc3C2)nc1 ZINC000302171968 230140281 /nfs/dbraw/zinc/14/02/81/230140281.db2.gz UZTCCZDLECZTKL-UHFFFAOYSA-N 0 3 313.361 2.245 20 5 DEBDHN CN(C)C1(CNc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000397755522 269107431 /nfs/dbraw/zinc/10/74/31/269107431.db2.gz FYDVJHSZKLMZOI-UHFFFAOYSA-N 0 3 315.171 2.258 20 5 DEBDHN COCCN(CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCO[C@@H]1C ZINC000489461631 274024848 /nfs/dbraw/zinc/02/48/48/274024848.db2.gz WMJPIQMTAKVECV-CJNGLKHVSA-N 0 3 308.378 2.263 20 5 DEBDHN COCCOCCN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543507 274037177 /nfs/dbraw/zinc/03/71/77/274037177.db2.gz CCXILLCPIXPJJO-OAHLLOKOSA-N 0 3 308.378 2.437 20 5 DEBDHN COC[C@H](CCO)N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279200976 274048476 /nfs/dbraw/zinc/04/84/76/274048476.db2.gz XHQNTOFHAKTSEA-XHDPSFHLSA-N 0 3 308.378 2.304 20 5 DEBDHN C[C@@H](Nc1ncc([N+](=O)[O-])c(N)n1)[C@H](c1ccccc1)N(C)C ZINC000281002415 274264794 /nfs/dbraw/zinc/26/47/94/274264794.db2.gz PSEQKPOQTFFIJJ-ZWNOBZJWSA-N 0 3 316.365 2.070 20 5 DEBDHN C[C@@H]1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@@H]1C ZINC000248366758 274304112 /nfs/dbraw/zinc/30/41/12/274304112.db2.gz SNHVWQOJEKHDJZ-JMSVASOKSA-N 0 3 303.362 2.430 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@H]1COCCO1)CCCC2 ZINC000417334854 275038438 /nfs/dbraw/zinc/03/84/38/275038438.db2.gz FXZSNYACGGVQPZ-GOEBONIOSA-N 0 3 306.362 2.367 20 5 DEBDHN CCN(C)CCNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000354027554 276070296 /nfs/dbraw/zinc/07/02/96/276070296.db2.gz IPYRHROAFFDGGC-LLVKDONJSA-N 0 3 311.407 2.143 20 5 DEBDHN CN1CC[C@@H]2[C@@H](CCCN2c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000269099492 277156554 /nfs/dbraw/zinc/15/65/54/277156554.db2.gz QJGNQHKSXTUZTC-WDEREUQCSA-N 0 3 321.406 2.225 20 5 DEBDHN CCC1(CC)[C@H](NCc2c([N+](=O)[O-])ncn2C)[C@H](C)[C@H]1OC ZINC000429288228 278635271 /nfs/dbraw/zinc/63/52/71/278635271.db2.gz WCWIGKBKVOXEDK-CYZMBNFOSA-N 0 3 310.398 2.258 20 5 DEBDHN C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N(C)C1CC1 ZINC000411976178 279341924 /nfs/dbraw/zinc/34/19/24/279341924.db2.gz IANLKEUDSXVXJQ-XFBWCDHKSA-N 0 3 317.389 2.297 20 5 DEBDHN CN(C)C1(CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000491976725 282026861 /nfs/dbraw/zinc/02/68/61/282026861.db2.gz NHRLUJCKMRCJBX-TWGQIWQCSA-N 0 3 303.362 2.209 20 5 DEBDHN C[C@H](CO[C@H]1CCOC1)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572541965 325947050 /nfs/dbraw/zinc/94/70/50/325947050.db2.gz OYWMVIFETPKQNA-XUJVJEKNSA-N 0 3 306.362 2.366 20 5 DEBDHN C[C@H]1CN(CCN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000574956306 326203899 /nfs/dbraw/zinc/20/38/99/326203899.db2.gz FFKLBEVOHCCUOO-SUMWQHHRSA-N 0 3 319.405 2.283 20 5 DEBDHN C[C@H](CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000576773416 326318393 /nfs/dbraw/zinc/31/83/93/326318393.db2.gz HLNIYRVUQIIJMP-OLZOCXBDSA-N 0 3 305.378 2.299 20 5 DEBDHN CCN(CCN1CCCCCC1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000582564210 337109631 /nfs/dbraw/zinc/10/96/31/337109631.db2.gz NTBYXOPGJYYNOX-UHFFFAOYSA-N 0 3 320.393 2.328 20 5 DEBDHN CC1CCN(CC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000338333217 520993974 /nfs/dbraw/zinc/99/39/74/520993974.db2.gz UTEWHVYZFWFHDM-UHFFFAOYSA-N 0 3 319.405 2.328 20 5 DEBDHN O=[N+]([O-])c1ccc(OCCN(CCO)Cc2ccccc2)cc1 ZINC000103140290 527371789 /nfs/dbraw/zinc/37/17/89/527371789.db2.gz JSYXDPBMGSOSAO-UHFFFAOYSA-N 0 3 316.357 2.468 20 5 DEBDHN CCN1C[C@@H](C)N(CCOc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000330831768 527931246 /nfs/dbraw/zinc/93/12/46/527931246.db2.gz JYGLSJWUJAIEQM-OKILXGFUSA-N 0 3 307.394 2.388 20 5 DEBDHN CC(C)c1ccc(CN[C@@H](CO)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000447974003 528101036 /nfs/dbraw/zinc/10/10/36/528101036.db2.gz DHNLDCCBKPDQKD-HOCLYGCPSA-N 0 3 308.378 2.348 20 5 DEBDHN CCN1CCCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000299671081 529036474 /nfs/dbraw/zinc/03/64/74/529036474.db2.gz YOTVZSICITUNPP-UHFFFAOYSA-N 0 3 316.361 2.244 20 5 DEBDHN CC(C)N1CCN(CCCn2cc([N+](=O)[O-])c(C3CC3)n2)CC1 ZINC000195049631 529042013 /nfs/dbraw/zinc/04/20/13/529042013.db2.gz WRJQNCIKNAASLC-UHFFFAOYSA-N 0 3 321.425 2.085 20 5 DEBDHN CCOc1ccc([C@@H](C)NC[C@@H]2COCCO2)cc1[N+](=O)[O-] ZINC000349245209 535410778 /nfs/dbraw/zinc/41/07/78/535410778.db2.gz HCHZQURGDNTFHJ-DGCLKSJQSA-N 0 3 310.350 2.060 20 5 DEBDHN COC(=O)N1CC(NC/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000492309429 536405284 /nfs/dbraw/zinc/40/52/84/536405284.db2.gz UBWSKGSXKZVESM-WDZFZDKYSA-N 0 3 305.334 2.038 20 5 DEBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000252656403 536472019 /nfs/dbraw/zinc/47/20/19/536472019.db2.gz GGIOLVZLBIWIGJ-DZGCQCFKSA-N 0 3 303.362 2.151 20 5 DEBDHN C[C@H](NCCn1ccc([N+](=O)[O-])n1)c1ccc([N+](=O)[O-])cc1 ZINC000296707670 538545694 /nfs/dbraw/zinc/54/56/94/538545694.db2.gz LPBOUFCCBXVVDO-JTQLQIEISA-N 0 3 305.294 2.050 20 5 DEBDHN Cc1ccc(C(=O)N[C@]2(C)CN3CCC2CC3)cc1[N+](=O)[O-] ZINC000892798754 625615363 /nfs/dbraw/zinc/61/53/63/625615363.db2.gz JBSZNIWNTPPFCH-MRXNPFEDSA-N 0 3 303.362 2.117 20 5 DEBDHN Cc1csc(C[C@@H]2CCN(CCn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000933125468 624101095 /nfs/dbraw/zinc/10/10/95/624101095.db2.gz HIWFTPMEDIDRJT-LBPRGKRZSA-N 0 3 321.406 2.121 20 5 DEBDHN COc1c(O)ccc(CN2CCC[C@H]3COCC[C@@H]32)c1[N+](=O)[O-] ZINC000892216450 624849485 /nfs/dbraw/zinc/84/94/85/624849485.db2.gz SJBUUWNUASLGAW-STQMWFEESA-N 0 3 322.361 2.310 20 5 DEBDHN CC(COC(=O)C1(c2cccnc2)CC2(CCC2)C1)[N+](=O)[O-] ZINC000893047236 625078741 /nfs/dbraw/zinc/07/87/41/625078741.db2.gz KPIPESJAUJYPRZ-GFCCVEGCSA-N 0 3 304.346 2.492 20 5 DEBDHN COc1c([O-])ccc(C[NH2+]CCc2ccncc2)c1[N+](=O)[O-] ZINC000893118342 625124298 /nfs/dbraw/zinc/12/42/98/625124298.db2.gz FNILYUWPXYLSCZ-UHFFFAOYSA-N 0 3 303.318 2.036 20 5 DEBDHN CN(C)[C@@H]1CCOc2c(Nc3c([N+](=O)[O-])cnn3C)cccc21 ZINC000893576180 634803600 /nfs/dbraw/zinc/80/36/00/634803600.db2.gz OJZWUZSFKVYVQT-GFCCVEGCSA-N 0 3 317.349 2.457 20 5 DEBDHN Cc1c(NC(=O)N2CC[C@@H]3CN(C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000929221813 633620713 /nfs/dbraw/zinc/62/07/13/633620713.db2.gz WMXYOIWBZCSQKZ-RISCZKNCSA-N 0 3 304.350 2.071 20 5 DEBDHN C[C@H]1[C@H](Nc2c([N+](=O)[O-])cnn2C)CCN1Cc1ccccc1 ZINC000893882302 636055171 /nfs/dbraw/zinc/05/51/71/636055171.db2.gz HHYABGAIMIPOSW-GXTWGEPZSA-N 0 3 315.377 2.403 20 5 DEBDHN C[C@@H](NC(=O)N(C)[C@@H]1CCCN(C)C1)c1ccccc1[N+](=O)[O-] ZINC000894016467 636093239 /nfs/dbraw/zinc/09/32/39/636093239.db2.gz SMSKQWMFQAGRLE-CHWSQXEVSA-N 0 3 320.393 2.391 20 5 DEBDHN COc1cc([N+](=O)[O-])cnc1N[C@@H]1CCCN2CCCC[C@H]12 ZINC000894439751 637039752 /nfs/dbraw/zinc/03/97/52/637039752.db2.gz ZXKSUBASSZNJHK-CHWSQXEVSA-N 0 3 306.366 2.427 20 5 DEBDHN C[C@H](C(=O)N1[C@@H]2CC[C@H]1CN(C)CC2)c1cccc([N+](=O)[O-])c1 ZINC000923269505 637070057 /nfs/dbraw/zinc/07/00/57/637070057.db2.gz NQZCIRMBPRILJE-BJJXKVORSA-N 0 3 317.389 2.393 20 5 DEBDHN COc1ccc(CNCCO[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000894801326 637214472 /nfs/dbraw/zinc/21/44/72/637214472.db2.gz XADHUMMLDAYITF-OAHLLOKOSA-N 0 3 310.350 2.236 20 5 DEBDHN COc1cc(CNc2nccn2C2CC2)c([N+](=O)[O-])cc1O ZINC000840887405 650371697 /nfs/dbraw/zinc/37/16/97/650371697.db2.gz NJYMHWZDPBLHGN-UHFFFAOYSA-N 0 3 304.306 2.453 20 5 DEBDHN CCOC(=O)Cc1ccc(N[C@H]2CCN(C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000895734989 638176948 /nfs/dbraw/zinc/17/69/48/638176948.db2.gz BHKCZVIVDRQNNL-YPMHNXCESA-N 0 3 321.377 2.205 20 5 DEBDHN C[C@H](CNC(=O)N[C@@H]1CCN(C)[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000896622991 638611468 /nfs/dbraw/zinc/61/14/68/638611468.db2.gz XUCQWGKQCZVSJE-YRGRVCCFSA-N 0 3 320.393 2.090 20 5 DEBDHN COc1cc(C[NH2+]C2CCC(C)(O)CC2)c([N+](=O)[O-])cc1[O-] ZINC000749292005 638633224 /nfs/dbraw/zinc/63/32/24/638633224.db2.gz POVKSPCECWBKNK-UHFFFAOYSA-N 0 3 310.350 2.092 20 5 DEBDHN O=[N+]([O-])c1ccc2c(cnn2CN2CCC[C@H]3COCC[C@@H]32)c1 ZINC000756887091 639710200 /nfs/dbraw/zinc/71/02/00/639710200.db2.gz MTTNLHKJUXUSQW-WFASDCNBSA-N 0 3 316.361 2.403 20 5 DEBDHN Cc1nn(CN2CC[C@@H](C3CC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000763331788 640531108 /nfs/dbraw/zinc/53/11/08/640531108.db2.gz IWEIMDQZEFDNGW-GFCCVEGCSA-N 0 3 301.350 2.337 20 5 DEBDHN CCN1C[C@H](C)N(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000766249961 640862798 /nfs/dbraw/zinc/86/27/98/640862798.db2.gz LFHHUXDTJCSOQN-HEHGZKQESA-N 0 3 307.394 2.043 20 5 DEBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000776275973 642153319 /nfs/dbraw/zinc/15/33/19/642153319.db2.gz JEFVFFXXUIIKEZ-XJKSGUPXSA-N 0 3 316.361 2.231 20 5 DEBDHN COCCOC[C@H](C)N[C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903119137 643258079 /nfs/dbraw/zinc/25/80/79/643258079.db2.gz GXQSNCOZMXZIGT-RYUDHWBXSA-N 0 3 312.366 2.306 20 5 DEBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCOC[C@@H](C3CCC3)C2)cc1 ZINC000795288371 644547593 /nfs/dbraw/zinc/54/75/93/644547593.db2.gz KKXOLKARCJPCFW-DOTOQJQBSA-N 0 3 320.389 2.377 20 5 DEBDHN CC(C)c1[n-]nc(C(=O)OCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000796253575 644707055 /nfs/dbraw/zinc/70/70/55/644707055.db2.gz FDICAKHYFZZECF-UHFFFAOYSA-N 0 3 310.354 2.084 20 5 DEBDHN CCN1CCCN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000910290110 645392779 /nfs/dbraw/zinc/39/27/79/645392779.db2.gz VWZHMOKCGUNQMP-GFCCVEGCSA-N 0 3 321.377 2.160 20 5 DEBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N(C)CCN1CCCC1 ZINC000843788866 651029928 /nfs/dbraw/zinc/02/99/28/651029928.db2.gz JQZUCEGZLBIVHI-UHFFFAOYSA-N 0 3 309.341 2.210 20 5 DEBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000843819212 651035394 /nfs/dbraw/zinc/03/53/94/651035394.db2.gz TUYKVKPMVNTJKZ-MWLCHTKSSA-N 0 3 321.352 2.397 20 5 DEBDHN CC(COC(=O)c1ccc(N2CCCCCC2)nc1)[N+](=O)[O-] ZINC000813100253 646727892 /nfs/dbraw/zinc/72/78/92/646727892.db2.gz PWDPNJMKGCDOSQ-GFCCVEGCSA-N 0 3 307.350 2.284 20 5 DEBDHN CC(COC(=O)CCc1cccc(OC(C)(C)C)n1)[N+](=O)[O-] ZINC000813103274 646728586 /nfs/dbraw/zinc/72/85/86/646728586.db2.gz ZQIYGRXBNUOHQT-LLVKDONJSA-N 0 3 310.350 2.400 20 5 DEBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])nn1-c1ccc(F)cc1 ZINC000813104460 646729719 /nfs/dbraw/zinc/72/97/19/646729719.db2.gz MXTPQZJQXACHMV-SNVBAGLBSA-N 0 3 307.281 2.142 20 5 DEBDHN CCc1nc2ccc(Cl)cn2c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813111565 646731371 /nfs/dbraw/zinc/73/13/71/646731371.db2.gz UXCOKHUFNMEENZ-MRVPVSSYSA-N 0 3 311.725 2.372 20 5 DEBDHN CC(COC(=O)Cc1cc(Br)ccc1F)[N+](=O)[O-] ZINC000813110829 646731407 /nfs/dbraw/zinc/73/14/07/646731407.db2.gz KIAMVIPYINTYBG-SSDOTTSWSA-N 0 3 320.114 2.339 20 5 DEBDHN CC(=O)CCc1ccc(O[C@@H](C)C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813111363 646731437 /nfs/dbraw/zinc/73/14/37/646731437.db2.gz RYGGAVRYRFDVAF-YPMHNXCESA-N 0 3 323.345 2.184 20 5 DEBDHN C/C=C\c1ccc(OCC(=O)OCC(C)[N+](=O)[O-])c(OC)c1 ZINC000813113843 646732566 /nfs/dbraw/zinc/73/25/66/646732566.db2.gz JVPNAGYEKBRQIF-DOGVGXBMSA-N 0 3 309.318 2.316 20 5 DEBDHN COCCN1CC[C@H](Nc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000731208243 647456356 /nfs/dbraw/zinc/45/63/56/647456356.db2.gz BCKBKPVZCROUMQ-JTQLQIEISA-N 0 3 322.390 2.337 20 5 DEBDHN C[C@@H](NC(=O)N[C@H]1CCN(C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000918892682 648114684 /nfs/dbraw/zinc/11/46/84/648114684.db2.gz KCBKOIHFTMLWLI-YPMHNXCESA-N 0 3 318.377 2.192 20 5 DEBDHN CCCN(C(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000823927068 648501274 /nfs/dbraw/zinc/50/12/74/648501274.db2.gz MEDMBHCDKRCUNV-LBPRGKRZSA-N 0 3 321.381 2.125 20 5 DEBDHN CC(C)[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CCN1 ZINC000826762006 648922900 /nfs/dbraw/zinc/92/29/00/648922900.db2.gz CVJRLLYFIKTVFU-PMPSAXMXSA-N 0 3 317.389 2.155 20 5 DEBDHN CN1C[C@H]2[C@@H](CCN2C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000832691671 649735918 /nfs/dbraw/zinc/73/59/18/649735918.db2.gz QURKTXFCWCTZKU-ZANVPECISA-N 0 3 309.753 2.024 20 5 DEBDHN CC([C@@H](OC(=O)Cc1cncnc1)c1ccccc1F)[N+](=O)[O-] ZINC000845876268 651291639 /nfs/dbraw/zinc/29/16/39/651291639.db2.gz BSBKLWMYLDWXBV-MEBBXXQBSA-N 0 3 319.292 2.108 20 5 DEBDHN CC([C@@H](OC(=O)c1cncn1C)c1ccccc1F)[N+](=O)[O-] ZINC000845881510 651291840 /nfs/dbraw/zinc/29/18/40/651291840.db2.gz LNAAQIUJUHLQNC-TVQRCGJNSA-N 0 3 307.281 2.123 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCCN1CCOC1=O ZINC000850431308 651928230 /nfs/dbraw/zinc/92/82/30/651928230.db2.gz BDNBDLZKXHZVKT-LLVKDONJSA-N 0 3 323.349 2.096 20 5 DEBDHN O=[N+]([O-])c1ccc(CN(CCOCCO)C2CCC2)cc1F ZINC000852289748 652378265 /nfs/dbraw/zinc/37/82/65/652378265.db2.gz BKHFNKFJSCMJBJ-UHFFFAOYSA-N 0 3 312.341 2.097 20 5 DEBDHN Cc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(C)[C@H]2C)cc1Cl ZINC000928429741 693777576 /nfs/dbraw/zinc/77/75/76/693777576.db2.gz DMRPVXHMSBQBDN-CABZTGNLSA-N 0 3 311.769 2.379 20 5 DEBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000860011088 685870256 /nfs/dbraw/zinc/87/02/56/685870256.db2.gz UGVBMMNSSOUZIP-BXKDBHETSA-N 0 3 323.780 2.461 20 5 DEBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])c(C)n1[C@H]1CCCOC1 ZINC000860777800 685960193 /nfs/dbraw/zinc/96/01/93/685960193.db2.gz WLSOYTWIRYHVAA-AAEUAGOBSA-N 0 3 310.350 2.278 20 5 DEBDHN O=C(OCCC[N+](=O)[O-])c1cccc(CN2CCCCC2)c1 ZINC000860918934 685975300 /nfs/dbraw/zinc/97/53/00/685975300.db2.gz HUANVJFEPNICQJ-UHFFFAOYSA-N 0 3 306.362 2.496 20 5 DEBDHN NC(=O)[C@H]1C[C@H](NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000862483321 686307687 /nfs/dbraw/zinc/30/76/87/686307687.db2.gz KBMYPMOTOYQYGK-JOTVFPGJSA-N 0 3 318.160 2.255 20 5 DEBDHN CC[C@@H]1CN(C)CCCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000865925590 687381247 /nfs/dbraw/zinc/38/12/47/687381247.db2.gz JSMNMJHOVRJBHG-LLVKDONJSA-N 0 3 308.338 2.424 20 5 DEBDHN CCN(CC)C(=O)CN[C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866242653 687506472 /nfs/dbraw/zinc/50/64/72/687506472.db2.gz QIZAMLYDAXEMRI-NSHDSACASA-N 0 3 311.357 2.123 20 5 DEBDHN Cc1cc(N(C)CCN2CC3(C2)CCOCC3)ccc1[N+](=O)[O-] ZINC000866256168 687509626 /nfs/dbraw/zinc/50/96/26/687509626.db2.gz KQKVFYYXUSDABB-UHFFFAOYSA-N 0 3 319.405 2.452 20 5 DEBDHN COC[C@@H](O)CCN[C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872054292 688919693 /nfs/dbraw/zinc/91/96/93/688919693.db2.gz SITMBJWFEBWVGH-JQWIXIFHSA-N 0 3 314.407 2.365 20 5 DEBDHN C[C@H](NCCCc1ncn(C)n1)c1c(F)cccc1[N+](=O)[O-] ZINC000872082624 688923670 /nfs/dbraw/zinc/92/36/70/688923670.db2.gz YLBQOQZHCXFJKC-JTQLQIEISA-N 0 3 307.329 2.146 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN[C@H](CO)C[C@H](O)C(C)(C)C ZINC000873124839 689163934 /nfs/dbraw/zinc/16/39/34/689163934.db2.gz VJMGZYIXFCFONJ-BBRMVZONSA-N 0 3 324.421 2.459 20 5 DEBDHN Cc1cc(F)cc(C(=O)N2CC[C@@H]3[C@H]2CCCN3C)c1[N+](=O)[O-] ZINC000874838967 689510933 /nfs/dbraw/zinc/51/09/33/689510933.db2.gz SLJSXMDTOYVQQO-ZIAGYGMSSA-N 0 3 321.352 2.351 20 5 DEBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000874837504 689511077 /nfs/dbraw/zinc/51/10/77/689511077.db2.gz KMORWANVOZPQHH-OLZOCXBDSA-N 0 3 307.325 2.043 20 5 DEBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000874840305 689512692 /nfs/dbraw/zinc/51/26/92/689512692.db2.gz MDFYCVQVRQDJAX-ZIAGYGMSSA-N 0 3 307.325 2.043 20 5 DEBDHN CN1CC[C@@H](NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000877019742 689998817 /nfs/dbraw/zinc/99/88/17/689998817.db2.gz QIPNFSICCBBWGY-LLVKDONJSA-N 0 3 303.284 2.407 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC2(COC(=O)N2)CC1 ZINC000877312161 690073421 /nfs/dbraw/zinc/07/34/21/690073421.db2.gz DJXNRLLTOHDEEP-UHFFFAOYSA-N 0 3 319.361 2.286 20 5 DEBDHN COC1(CO)CCN(Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000877481942 690126778 /nfs/dbraw/zinc/12/67/78/690126778.db2.gz YBUQQHABYQQNBV-UHFFFAOYSA-N 0 3 308.378 2.185 20 5 DEBDHN COC[C@@]1(CO)CCN(Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877572709 690155934 /nfs/dbraw/zinc/15/59/34/690155934.db2.gz HSROCKXBVZTYDI-INIZCTEOSA-N 0 3 308.378 2.042 20 5 DEBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000931611381 694439997 /nfs/dbraw/zinc/43/99/97/694439997.db2.gz UAPZHCQYCZMSAG-NOZJJQNGSA-N 0 3 322.340 2.338 20 5 DEBDHN CCOC(=O)C[C@](C)(NCc1cccnc1[N+](=O)[O-])C(C)C ZINC000886142692 692011158 /nfs/dbraw/zinc/01/11/58/692011158.db2.gz ITQQBGNXSPRFOM-HNNXBMFYSA-N 0 3 309.366 2.447 20 5 DEBDHN C[C@@H]1C[C@]2(CC[C@@H](CNCc3ccccc3[N+](=O)[O-])O2)CO1 ZINC000886334386 692059480 /nfs/dbraw/zinc/05/94/80/692059480.db2.gz WFCYLZKVNRKEFU-IVMMDQJWSA-N 0 3 306.362 2.411 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H](CO)C[C@@H]1CCCO1 ZINC000886671822 692155721 /nfs/dbraw/zinc/15/57/21/692155721.db2.gz DLOVDXWBCJZSJV-SCRDCRAPSA-N 0 3 324.377 2.184 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1OC(=O)[C@H]1CCN(C)[C@@H](C)C1 ZINC000887711274 692433595 /nfs/dbraw/zinc/43/35/95/692433595.db2.gz WMZIJVLURFJOAO-QWRGUYRKSA-N 0 3 308.334 2.239 20 5 DEBDHN O=[N+]([O-])c1c(F)cccc1NC[C@@H]1CCN1C1CCOCC1 ZINC000896519393 693003056 /nfs/dbraw/zinc/00/30/56/693003056.db2.gz VFQRUZWOEYYFGJ-LBPRGKRZSA-N 0 3 309.341 2.399 20 5 DEBDHN CCC(=O)N1CC2(C1)CCN(Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001050398589 693172987 /nfs/dbraw/zinc/17/29/87/693172987.db2.gz FDIXOFDSTHUMHY-UHFFFAOYSA-N 0 3 317.389 2.429 20 5 DEBDHN Cc1ccc([C@H](C)NC[C@@H](O)C2(O)CCCC2)cc1[N+](=O)[O-] ZINC001333905723 1150123898 /nfs/dbraw/zinc/12/38/98/1150123898.db2.gz VNVUBVMPAHDGCU-SWLSCSKDSA-N 0 3 308.378 2.220 20 5 DEBDHN CC(C)[C@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CCN1 ZINC001353622183 1151842275 /nfs/dbraw/zinc/84/22/75/1151842275.db2.gz CVJRLLYFIKTVFU-BZUAXINKSA-N 0 3 317.389 2.155 20 5 DEBDHN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N(CCN(C)C)C(C)C ZINC001435628013 1178985870 /nfs/dbraw/zinc/98/58/70/1178985870.db2.gz ZVKMKLZRDBDSQI-UHFFFAOYSA-N 0 3 311.357 2.455 20 5 DEBDHN COC[C@@H](CCNCc1cc(Cl)ccc1[N+](=O)[O-])OC ZINC000694631812 777898821 /nfs/dbraw/zinc/89/88/21/777898821.db2.gz UBXLGOUXYRQOCC-GFCCVEGCSA-N 0 3 302.758 2.389 20 5 DEBDHN CCc1[nH]ccc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001126614716 779872973 /nfs/dbraw/zinc/87/29/73/779872973.db2.gz XHDWTJRDLHPAGV-UHFFFAOYSA-N 0 3 316.361 2.005 20 5 DEBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](NCc2ncc(Br)s2)C1 ZINC001169000640 784997579 /nfs/dbraw/zinc/99/75/79/784997579.db2.gz YIZTUIRJFHYWSZ-HTQZYQBOSA-N 0 3 320.212 2.441 20 5 DEBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2CC3(CCN3Cc3ccccc3)C2)C1 ZINC001169038279 785013160 /nfs/dbraw/zinc/01/31/60/785013160.db2.gz XPPNLOYWQJCXPP-IRXDYDNUSA-N 0 3 315.417 2.392 20 5 DEBDHN COc1ccc(C[C@@H](C)N[C@@H]2CCOC[C@@H]2F)c([N+](=O)[O-])c1 ZINC001170328851 786911524 /nfs/dbraw/zinc/91/15/24/786911524.db2.gz WOBSSDJLECDIDM-DDTOSNHZSA-N 0 3 312.341 2.251 20 5 DEBDHN COc1ccc(C[C@H](C)N2CC[C@H](O)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001170353404 786918059 /nfs/dbraw/zinc/91/80/59/786918059.db2.gz XSSDDJYMHOHGAM-OBJOEFQTSA-N 0 3 308.378 2.380 20 5 DEBDHN CCCN(C)CC(=O)NCCCNc1cc(C)ccc1[N+](=O)[O-] ZINC001094517411 792960394 /nfs/dbraw/zinc/96/03/94/792960394.db2.gz QAEZDIWSYRHIQV-UHFFFAOYSA-N 0 3 322.409 2.163 20 5 DEBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N[C@H](C(N)=O)c1ccccc1 ZINC001173216858 793634482 /nfs/dbraw/zinc/63/44/82/793634482.db2.gz JVFNYSXXGFNJLV-LRDDRELGSA-N 0 3 313.357 2.342 20 5 DEBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC001116521746 794961979 /nfs/dbraw/zinc/96/19/79/794961979.db2.gz VXQQHYTVDXFQAT-NSHDSACASA-N 0 3 318.377 2.017 20 5 DEBDHN Cc1occc1C(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001154474567 797542311 /nfs/dbraw/zinc/54/23/11/797542311.db2.gz DGPFNZRBCLESMK-UHFFFAOYSA-N 0 3 323.374 2.467 20 5 DEBDHN O=[N+]([O-])c1cnc(Cl)nc1N1CCN[C@H](c2ccccc2)C1 ZINC001157760985 798272368 /nfs/dbraw/zinc/27/23/68/798272368.db2.gz YOGZBWZKVRESEV-NSHDSACASA-N 0 3 319.752 2.189 20 5 DEBDHN CN1CCN(CCCNc2cc([N+](=O)[O-])cc3cc[nH]c32)CC1 ZINC001161708541 798918835 /nfs/dbraw/zinc/91/88/35/798918835.db2.gz NDGVHYYACIZFCG-UHFFFAOYSA-N 0 3 317.393 2.126 20 5 DEBDHN CNc1cc([N+](=O)[O-])cnc1-n1c2ccccc2nc1[C@@H](C)N ZINC001162761965 799167753 /nfs/dbraw/zinc/16/77/53/799167753.db2.gz AHSJAUNXELXGBB-SECBINFHSA-N 0 3 312.333 2.390 20 5 DEBDHN C[C@]1(NCCn2ccc([N+](=O)[O-])n2)CCOc2ccccc21 ZINC000933367547 800076253 /nfs/dbraw/zinc/07/62/53/800076253.db2.gz HATBILZRIOPAKW-HNNXBMFYSA-N 0 3 302.334 2.079 20 5 DEBDHN COC(=O)c1ccc(C)c([N+](=O)[O-])c1OC1CCN(C)CC1 ZINC001229904278 801334995 /nfs/dbraw/zinc/33/49/95/801334995.db2.gz WORSKAOJNDFSFW-UHFFFAOYSA-N 0 3 308.334 2.163 20 5 DEBDHN CN(CCCNC(=O)c1ccco1)Cc1cccc([N+](=O)[O-])c1 ZINC001231247943 801618292 /nfs/dbraw/zinc/61/82/92/801618292.db2.gz CISHTGPJEZPNLW-UHFFFAOYSA-N 0 3 317.345 2.440 20 5 DEBDHN Cc1cc2nc(O[C@@H]3C[NH2+]CCC34CC4)[n-]c2cc1[N+](=O)[O-] ZINC001218402616 802177855 /nfs/dbraw/zinc/17/78/55/802177855.db2.gz FDBIZEAAKSUPDK-CYBMUJFWSA-N 0 3 302.334 2.300 20 5 DEBDHN Cc1cc2[n-]c(O[C@@H]3C[NH2+]CCC34CC4)nc2cc1[N+](=O)[O-] ZINC001218402616 802177857 /nfs/dbraw/zinc/17/78/57/802177857.db2.gz FDBIZEAAKSUPDK-CYBMUJFWSA-N 0 3 302.334 2.300 20 5 DEBDHN COC(=O)c1cccc([N+](=O)[O-])c1OC1CCN(C2CC2)CC1 ZINC001227122345 803204112 /nfs/dbraw/zinc/20/41/12/803204112.db2.gz NPSPDFFNUVTQOS-UHFFFAOYSA-N 0 3 320.345 2.387 20 5 DEBDHN COCCN1CCC(Oc2c(OC)cccc2[N+](=O)[O-])CC1 ZINC001227702282 803268905 /nfs/dbraw/zinc/26/89/05/803268905.db2.gz UAOUISLLLBXPRF-UHFFFAOYSA-N 0 3 310.350 2.093 20 5 DEBDHN CN1CCCN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)CC1 ZINC001328488560 1148802197 /nfs/dbraw/zinc/80/21/97/1148802197.db2.gz XJZNICVKBCRTOT-UHFFFAOYSA-N 0 3 321.768 2.333 20 5 DEBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001465899237 1059382571 /nfs/dbraw/zinc/38/25/71/1059382571.db2.gz ABWJEOPIEHOHDU-SKDRFNHKSA-N 0 3 323.780 2.461 20 5 DEBDHN CN1C[C@H](NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC001472029640 1060374083 /nfs/dbraw/zinc/37/40/83/1060374083.db2.gz SWMRPTFNVNYGNC-ILXRZTDVSA-N 0 3 317.389 2.155 20 5 DEBDHN O=[N+]([O-])c1cc(Cl)ccc1CNCCCN1CCOCC1 ZINC000050443356 1078470294 /nfs/dbraw/zinc/47/02/94/1078470294.db2.gz IOEPAXHAROUMDN-UHFFFAOYSA-N 0 3 313.785 2.060 20 5 DEBDHN CC(C)C[C@H](N)C(=O)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC001573503533 1069022873 /nfs/dbraw/zinc/02/28/73/1069022873.db2.gz HLJCANYLLAPUEV-ZDUSSCGKSA-N 0 3 302.334 2.455 20 5 DEBDHN CCOc1cc(CN2C[C@@H]3[C@H](O)CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001644488848 1078848808 /nfs/dbraw/zinc/84/88/08/1078848808.db2.gz FFZKXGBERQODEN-VNHYZAJKSA-N 0 3 306.362 2.196 20 5 DEBDHN CCN1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2OC)C(C)(C)C1 ZINC001645342282 1078896277 /nfs/dbraw/zinc/89/62/77/1078896277.db2.gz ZXQSFJBTLWPXET-ZDUSSCGKSA-N 0 3 321.377 2.064 20 5 DEBDHN CCN1C[C@H](NC(=O)c2c(C)cccc2[N+](=O)[O-])C(C)(C)C1 ZINC001646585578 1074489198 /nfs/dbraw/zinc/48/91/98/1074489198.db2.gz ADBZGADNTBIGSW-ZDUSSCGKSA-N 0 3 305.378 2.363 20 5 DEBDHN CC[C@H](C)N[C@H](CNc1nn(C)cc1[N+](=O)[O-])c1ccco1 ZINC001559187752 1075114794 /nfs/dbraw/zinc/11/47/94/1075114794.db2.gz YBRRPAXBFQYAKF-WDEREUQCSA-N 0 3 307.354 2.463 20 5 DEBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1C[N@@H+]1CCC2(CCC2)C1 ZINC001609603013 1077882235 /nfs/dbraw/zinc/88/22/35/1077882235.db2.gz VDXJSRVRBLCWQF-UHFFFAOYSA-N 0 3 314.349 2.151 20 5 DEBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1C[N@H+]1CCC2(CCC2)C1 ZINC001609603013 1077882237 /nfs/dbraw/zinc/88/22/37/1077882237.db2.gz VDXJSRVRBLCWQF-UHFFFAOYSA-N 0 3 314.349 2.151 20 5 DEBDHN O=[N+]([O-])c1ccc(OCCN2CC[C@@H](c3ncccn3)C2)cc1 ZINC001654915809 1079981301 /nfs/dbraw/zinc/98/13/01/1079981301.db2.gz QVMNPHIWBINBMI-CYBMUJFWSA-N 0 3 314.345 2.253 20 5 DEBDHN O=[N+]([O-])c1cccc(Br)c1CNC[C@H]1CCOC1 ZINC001660911836 1080413988 /nfs/dbraw/zinc/41/39/88/1080413988.db2.gz KWCGWTDSIDIVPH-SECBINFHSA-N 0 3 315.167 2.483 20 5 DEBDHN CC(=O)Nc1ccc(C(C)=O)c(O[C@@H](C)CN(C)C)c1[N+](=O)[O-] ZINC001234681132 1084196186 /nfs/dbraw/zinc/19/61/86/1084196186.db2.gz HUHHSSMIYFBZSG-VIFPVBQESA-N 0 3 323.349 2.085 20 5 DEBDHN C[C@@H](NC(=O)N1C[C@H](C)NC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC001336976828 1142645028 /nfs/dbraw/zinc/64/50/28/1142645028.db2.gz GQDZCYNPIKYZBT-SDDRHHMPSA-N 0 3 306.366 2.048 20 5 DEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCc1cn2cccnc2n1 ZINC001254534638 1143241290 /nfs/dbraw/zinc/24/12/90/1143241290.db2.gz ZOSYIKXGNRJHFF-LBPRGKRZSA-N 0 3 311.345 2.358 20 5 DEBDHN COC(=O)C1(C)CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254601431 1143274474 /nfs/dbraw/zinc/27/44/74/1143274474.db2.gz ZXTILYMVQWEEFT-OAHLLOKOSA-N 0 3 318.373 2.337 20 5 DEBDHN C[C@@H]1CN[C@@H](C)[C@@H](C)N1C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001341031422 1143525767 /nfs/dbraw/zinc/52/57/67/1143525767.db2.gz WUQLOVJBKYGUKI-GRYCIOLGSA-N 0 3 323.368 2.264 20 5 DEBDHN Cc1ncc([N+](=O)[O-])cc1-c1nc([C@H]2CN3CCC2CC3)no1 ZINC001342544882 1143822873 /nfs/dbraw/zinc/82/28/73/1143822873.db2.gz IICWUJSCXBDMHD-ZDUSSCGKSA-N 0 3 315.333 2.157 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H](N)C1CCCCC1 ZINC001261493700 1144252414 /nfs/dbraw/zinc/25/24/14/1144252414.db2.gz NLFGCSLCSVBEHR-OAHLLOKOSA-N 0 3 321.377 2.127 20 5 DEBDHN COc1cc(Br)cc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC001263502001 1144378033 /nfs/dbraw/zinc/37/80/33/1144378033.db2.gz ICUCKFAWGQIWQU-SSDOTTSWSA-N 0 3 318.123 2.280 20 5 DEBDHN N[C@H](C(=O)NCCc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC001326338713 1148081087 /nfs/dbraw/zinc/08/10/87/1148081087.db2.gz KZCFUSGORNEGFI-HNNXBMFYSA-N 0 3 305.378 2.161 20 5 DEBDHN O=[N+]([O-])c1cnn(C[C@@H]2CN(Cc3ccccc3)CCCO2)c1 ZINC000278581029 214253176 /nfs/dbraw/zinc/25/31/76/214253176.db2.gz OTVVIZDOCVHEOI-INIZCTEOSA-N 0 3 316.361 2.082 20 5 DEBDHN COC(=O)C1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000079184311 185161335 /nfs/dbraw/zinc/16/13/35/185161335.db2.gz YYGKIGYHQLPRTB-UHFFFAOYSA-N 0 3 322.361 2.249 20 5 DEBDHN CCNC(=O)N1CC[C@@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000090410247 185294949 /nfs/dbraw/zinc/29/49/49/185294949.db2.gz QWBSSTNZCPBUFK-WCQYABFASA-N 0 3 306.366 2.049 20 5 DEBDHN Cc1ccc([C@H](C)NCCn2cc([N+](=O)[O-])cn2)cc1[N+](=O)[O-] ZINC000090538006 185301760 /nfs/dbraw/zinc/30/17/60/185301760.db2.gz NEDRPKOHEPVGOP-NSHDSACASA-N 0 3 319.321 2.359 20 5 DEBDHN CN(CCNC(=O)CCC(C)(C)[N+](=O)[O-])Cc1ccccc1 ZINC000294463123 529913080 /nfs/dbraw/zinc/91/30/80/529913080.db2.gz IGXJZMJZWOQFLI-UHFFFAOYSA-N 0 3 307.394 2.070 20 5 DEBDHN CCO[C@@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2)[C@]12CCCO2 ZINC000272635415 210037426 /nfs/dbraw/zinc/03/74/26/210037426.db2.gz BRPWLQQHYQNVAY-BZUAXINKSA-N 0 3 306.362 2.411 20 5 DEBDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000072305391 191117837 /nfs/dbraw/zinc/11/78/37/191117837.db2.gz IIVWNCGMVDDKPE-GXTWGEPZSA-N 0 3 304.350 2.295 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCCN(C(C)C)C1 ZINC000277164609 213339074 /nfs/dbraw/zinc/33/90/74/213339074.db2.gz RANFIXVJFYVYFQ-GFCCVEGCSA-N 0 3 321.377 2.206 20 5 DEBDHN CNc1ccc(C(=O)N[C@H](C)CN2CCCCC2)cc1[N+](=O)[O-] ZINC000024803757 354068234 /nfs/dbraw/zinc/06/82/34/354068234.db2.gz BBTRXIUNVOETMR-GFCCVEGCSA-N 0 3 320.393 2.241 20 5 DEBDHN COc1ccc(C(=O)NCCN2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000047119633 354306904 /nfs/dbraw/zinc/30/69/04/354306904.db2.gz AAWPKFIROGEQGG-UHFFFAOYSA-N 0 3 321.377 2.065 20 5 DEBDHN C[C@@H](C(=O)NCc1cccc([N+](=O)[O-])c1)N1CCCCCC1 ZINC000074530446 355035425 /nfs/dbraw/zinc/03/54/25/355035425.db2.gz TXLSWEFGXYRVDA-ZDUSSCGKSA-N 0 3 305.378 2.476 20 5 DEBDHN CCCCN(C)CCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000074201674 355013700 /nfs/dbraw/zinc/01/37/00/355013700.db2.gz FKGNDYQSALYELB-UHFFFAOYSA-N 0 3 322.409 2.168 20 5 DEBDHN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[C@@H](N2CCCCC2)C1 ZINC000076694176 355162750 /nfs/dbraw/zinc/16/27/50/355162750.db2.gz QOKXFBLNRVQQEF-CYBMUJFWSA-N 0 3 321.352 2.434 20 5 DEBDHN O=[N+]([O-])c1ccccc1CN[C@H](C1CC1)C1(CO)CCOCC1 ZINC000595588828 358494339 /nfs/dbraw/zinc/49/43/39/358494339.db2.gz RQPGXYYNUDJAHZ-MRXNPFEDSA-N 0 3 320.389 2.252 20 5 DEBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087365619 355509341 /nfs/dbraw/zinc/50/93/41/355509341.db2.gz XOADAPMKVVXBNL-OAHLLOKOSA-N 0 3 319.405 2.328 20 5 DEBDHN CN(C)CCn1cc(NC/C=C/c2ccccc2[N+](=O)[O-])cn1 ZINC000236993344 356293453 /nfs/dbraw/zinc/29/34/53/356293453.db2.gz YGMBELQGSBUXEV-FNORWQNLSA-N 0 3 315.377 2.478 20 5 DEBDHN CN1CC[C@]2(CCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000292194728 283169192 /nfs/dbraw/zinc/16/91/92/283169192.db2.gz LIYPQBSXTFBMKV-HNNXBMFYSA-N 0 3 323.780 2.416 20 5 DEBDHN CCCN(CCN(C)C)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342917569 283231153 /nfs/dbraw/zinc/23/11/53/283231153.db2.gz BKFLNCLCQBMAGQ-UHFFFAOYSA-N 0 3 318.377 2.490 20 5 DEBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000588823590 357426808 /nfs/dbraw/zinc/42/68/08/357426808.db2.gz JBUPUOVKUASIFY-STQMWFEESA-N 0 3 307.398 2.040 20 5 DEBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@]2(C1)CCCN(C)C2 ZINC000590141928 357521219 /nfs/dbraw/zinc/52/12/19/357521219.db2.gz NJNAOXSYXZPROW-OAHLLOKOSA-N 0 3 307.398 2.042 20 5 DEBDHN O=C1NCC[C@H]1CCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000590605784 357566610 /nfs/dbraw/zinc/56/66/10/357566610.db2.gz NTQBXPJDFSAILW-ZDUSSCGKSA-N 0 3 303.362 2.085 20 5 DEBDHN O=[N+]([O-])c1ccc(OCCCN2CCC[C@@H]3COC[C@@H]32)cc1 ZINC000590972479 357656437 /nfs/dbraw/zinc/65/64/37/357656437.db2.gz YUDWECBIFMKEAB-CJNGLKHVSA-N 0 3 306.362 2.475 20 5 DEBDHN CC(C)(C)N1CC[C@@H](NCCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000591608148 357743273 /nfs/dbraw/zinc/74/32/73/357743273.db2.gz QJYZURBGQHLLLM-CQSZACIVSA-N 0 3 305.378 2.126 20 5 DEBDHN C[C@@H]1SCC[C@@H]1NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000592380611 357869817 /nfs/dbraw/zinc/86/98/17/357869817.db2.gz MQQONHOWJZZQIU-ONGXEEELSA-N 0 3 310.375 2.350 20 5 DEBDHN C[C@H]1SCC[C@H]1NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000592380610 357869936 /nfs/dbraw/zinc/86/99/36/357869936.db2.gz MQQONHOWJZZQIU-MWLCHTKSSA-N 0 3 310.375 2.350 20 5 DEBDHN O=C1CC[C@@H](CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)N1 ZINC000593029568 357990765 /nfs/dbraw/zinc/99/07/65/357990765.db2.gz CCSZTUTWEXVDTP-KGLIPLIRSA-N 0 3 303.362 2.053 20 5 DEBDHN CC1CCN(CCNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593407799 358072011 /nfs/dbraw/zinc/07/20/11/358072011.db2.gz LLFPWGHEQYEAJF-UHFFFAOYSA-N 0 3 323.368 2.125 20 5 DEBDHN CCOc1ccc([C@H](C)N[C@@H](CO)CCF)cc1[N+](=O)[O-] ZINC000593718433 358129991 /nfs/dbraw/zinc/12/99/91/358129991.db2.gz HHMHOAPQBRRGMI-CMPLNLGQSA-N 0 3 300.330 2.365 20 5 DEBDHN O=C(N[C@H]1CCCN2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1F ZINC000594200279 358222375 /nfs/dbraw/zinc/22/23/75/358222375.db2.gz KMNROKJTSNWMPW-LSDHHAIUSA-N 0 3 321.352 2.481 20 5 DEBDHN C[C@@H](NC1CCN([C@@H]2CCOC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000594516472 358287873 /nfs/dbraw/zinc/28/78/73/358287873.db2.gz ZVTSTEQQBRFUBI-UKRRQHHQSA-N 0 3 319.405 2.499 20 5 DEBDHN C[C@H](CO)[C@H]1CCCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000595678647 358519304 /nfs/dbraw/zinc/51/93/04/358519304.db2.gz SBKXTRMYVMSQGG-CZUORRHYSA-N 0 3 308.378 2.457 20 5 DEBDHN O=[N+]([O-])c1cc(F)ccc1CN1CCN(C2CCOCC2)CC1 ZINC000595332294 358424099 /nfs/dbraw/zinc/42/40/99/358424099.db2.gz JNUATKOIJJGAEF-UHFFFAOYSA-N 0 3 323.368 2.031 20 5 DEBDHN CC1(C)C[C@@H](N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CO1 ZINC000595370818 358432947 /nfs/dbraw/zinc/43/29/47/358432947.db2.gz JPSZBTJZWYVWNS-DGCLKSJQSA-N 0 3 306.366 2.044 20 5 DEBDHN CCOC(=O)CC1(NCc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000595876529 358569983 /nfs/dbraw/zinc/56/99/83/358569983.db2.gz KBXWMWFDYARHHM-UHFFFAOYSA-N 0 3 322.361 2.187 20 5 DEBDHN C[C@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)[C@@H]1CCO ZINC000595704831 358529132 /nfs/dbraw/zinc/52/91/32/358529132.db2.gz WFMYHOPZYWUUTP-XJKSGUPXSA-N 0 3 308.378 2.457 20 5 DEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000595744986 358538873 /nfs/dbraw/zinc/53/88/73/358538873.db2.gz XJPCPWVWZJWBLB-YRGRVCCFSA-N 0 3 303.362 2.256 20 5 DEBDHN CN1CC[C@@]2(C1)CCCN(C(=O)c1ccc([N+](=O)[O-])s1)C2 ZINC000597713093 358984860 /nfs/dbraw/zinc/98/48/60/358984860.db2.gz CCYVVEGPTNADSC-CQSZACIVSA-N 0 3 309.391 2.214 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@]2(CCN(C)C2)C1 ZINC000597710884 358985476 /nfs/dbraw/zinc/98/54/76/358985476.db2.gz PRWZRNGDRFUINW-QGZVFWFLSA-N 0 3 317.389 2.461 20 5 DEBDHN CN1CC[C@]2(C1)CCCN(C(=O)c1ccccc1[N+](=O)[O-])C2 ZINC000597717136 358987641 /nfs/dbraw/zinc/98/76/41/358987641.db2.gz ZTATZVSMUURCKU-INIZCTEOSA-N 0 3 303.362 2.153 20 5 DEBDHN C[C@H](CN1CCC(C)CC1)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000598260316 359138747 /nfs/dbraw/zinc/13/87/47/359138747.db2.gz AKWYECAWQRFHND-CQSZACIVSA-N 0 3 319.405 2.374 20 5 DEBDHN C[C@H](CN1CCC(C)CC1)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000598261005 359140187 /nfs/dbraw/zinc/14/01/87/359140187.db2.gz CKIJUGDOPNXACU-CYBMUJFWSA-N 0 3 305.378 2.445 20 5 DEBDHN CC(C)[C@H]1CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCN1 ZINC000598569704 359244730 /nfs/dbraw/zinc/24/47/30/359244730.db2.gz CYGITUJHFXJOTJ-CYBMUJFWSA-N 0 3 316.361 2.146 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCc1cncn1C ZINC000598917948 359357793 /nfs/dbraw/zinc/35/77/93/359357793.db2.gz NDIOVNHHYGEFHK-UHFFFAOYSA-N 0 3 304.350 2.059 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCCN1CC[C@H](O)C1)CCCC2 ZINC000599093028 359402323 /nfs/dbraw/zinc/40/23/23/359402323.db2.gz MHKCOFQXFLEFHQ-RDJZCZTQSA-N 0 3 319.405 2.019 20 5 DEBDHN CCN(C(=O)c1ccc(NC)c([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000599985581 359629796 /nfs/dbraw/zinc/62/97/96/359629796.db2.gz GYFROKGIZTVSPV-UHFFFAOYSA-N 0 3 320.393 2.193 20 5 DEBDHN O=[N+]([O-])c1ccc(CO)c(-c2ccc([C@@H]3CNCCO3)cc2)c1 ZINC000600782476 359827516 /nfs/dbraw/zinc/82/75/16/359827516.db2.gz MCTNEZNNHSFMTB-KRWDZBQOSA-N 0 3 314.341 2.415 20 5 DEBDHN CN(C)CC1(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])CCC1 ZINC000281132464 216101533 /nfs/dbraw/zinc/10/15/33/216101533.db2.gz UHQOUHLYUQFVNV-CMDGGOBGSA-N 0 3 303.362 2.209 20 5 DEBDHN O=C(N[C@H]1CCCN2CCCC[C@H]12)c1c(F)cccc1[N+](=O)[O-] ZINC000601662931 360103833 /nfs/dbraw/zinc/10/38/33/360103833.db2.gz VNPCXSGOIBBVGN-QWHCGFSZSA-N 0 3 321.352 2.481 20 5 DEBDHN CC1(F)CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000602992884 360659542 /nfs/dbraw/zinc/65/95/42/360659542.db2.gz IUJQGESWBHUKRK-GFCCVEGCSA-N 0 3 312.341 2.159 20 5 DEBDHN Cc1ccc(C(=O)N[C@@H]2CCN(CC3CC3)C2)cc1[N+](=O)[O-] ZINC000609383623 361308048 /nfs/dbraw/zinc/30/80/48/361308048.db2.gz XHBPOKJHCDEIIK-CQSZACIVSA-N 0 3 303.362 2.117 20 5 DEBDHN C[C@@](CO)(NCCOc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000609483857 361314448 /nfs/dbraw/zinc/31/44/48/361314448.db2.gz LUIASXPHIFLYQY-KRWDZBQOSA-N 0 3 316.357 2.471 20 5 DEBDHN C[C@@H](NC[C@H]1CNc2ccnn2C1)c1ccccc1[N+](=O)[O-] ZINC000619264412 363750815 /nfs/dbraw/zinc/75/08/15/363750815.db2.gz DOSZACOSKKUXEF-NEPJUHHUSA-N 0 3 301.350 2.184 20 5 DEBDHN O=C1[C@H](N2C[C@H]3CCC[C@H]32)CCN1c1cccc([N+](=O)[O-])c1 ZINC000610762641 361461722 /nfs/dbraw/zinc/46/17/22/361461722.db2.gz JFGMLSGGRXFTDV-KCPJHIHWSA-N 0 3 301.346 2.184 20 5 DEBDHN CCN1CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000611092433 361526191 /nfs/dbraw/zinc/52/61/91/361526191.db2.gz UIKQUESYFSYRFF-CYBMUJFWSA-N 0 3 323.393 2.008 20 5 DEBDHN CCN(C[C@H]1CCOC1)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000611205158 361548474 /nfs/dbraw/zinc/54/84/74/361548474.db2.gz KDGZTBYQIDLAGT-QWHCGFSZSA-N 0 3 321.377 2.280 20 5 DEBDHN CC[C@H]1CN(C)CCCN1C(=O)c1cccc([N+](=O)[O-])c1C ZINC000619567018 363827539 /nfs/dbraw/zinc/82/75/39/363827539.db2.gz IKHVVDRAIYOYRD-ZDUSSCGKSA-N 0 3 305.378 2.460 20 5 DEBDHN O=C1C[C@H](NC/C=C\c2ccccc2[N+](=O)[O-])[C@@H]2CCCCN12 ZINC000619749092 363870894 /nfs/dbraw/zinc/87/08/94/363870894.db2.gz ILNKDVCBOJRCDN-NDRBSLDKSA-N 0 3 315.373 2.351 20 5 DEBDHN O=[N+]([O-])c1ccccc1OCCN1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451703294 243340093 /nfs/dbraw/zinc/34/00/93/243340093.db2.gz JHKVRMYPHYDKKK-ILXRZTDVSA-N 0 3 320.389 2.457 20 5 DEBDHN CNC(=O)[C@@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000093360581 193237693 /nfs/dbraw/zinc/23/76/93/193237693.db2.gz IEHOUVPNZIYJAV-BTKRWWFXSA-N 0 3 303.362 2.066 20 5 DEBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@H](O)C2CC2)c1 ZINC000265031365 204353606 /nfs/dbraw/zinc/35/36/06/204353606.db2.gz GGHMSAQUGKPQJR-NSHDSACASA-N 0 3 302.277 2.057 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)C2CCN(C)CC2)c1 ZINC000282696905 217183623 /nfs/dbraw/zinc/18/36/23/217183623.db2.gz SIIBUQJLXPRKPT-UHFFFAOYSA-N 0 3 321.377 2.160 20 5 DEBDHN CC[C@@H](C(=O)NCCOc1ccc([N+](=O)[O-])cc1)N(CC)CC ZINC000531296149 284539713 /nfs/dbraw/zinc/53/97/13/284539713.db2.gz WQCIGGXIXUVHOL-HNNXBMFYSA-N 0 3 323.393 2.210 20 5 DEBDHN C[C@H]1CN(CCCCNc2ccc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000267966221 206363949 /nfs/dbraw/zinc/36/39/49/206363949.db2.gz USZCCJGTSZEPSO-STQMWFEESA-N 0 3 308.382 2.291 20 5 DEBDHN C[C@@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000492449516 249066898 /nfs/dbraw/zinc/06/68/98/249066898.db2.gz OTDKGPIRIMVMGB-SBDDDAINSA-N 0 3 315.373 2.375 20 5 DEBDHN CN(C)CC1(NC(=O)/C=C\c2ccccc2[N+](=O)[O-])CCC1 ZINC000492620941 249101524 /nfs/dbraw/zinc/10/15/24/249101524.db2.gz UHQOUHLYUQFVNV-HJWRWDBZSA-N 0 3 303.362 2.209 20 5 DEBDHN CN(C)C/C=C/C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269106220 207244797 /nfs/dbraw/zinc/24/47/97/207244797.db2.gz DVXPLLGJZNLNIN-QPJJXVBHSA-N 0 3 303.362 2.204 20 5 DEBDHN CN(C)[C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])c1ccccc1 ZINC000294521062 224068673 /nfs/dbraw/zinc/06/86/73/224068673.db2.gz YSGVMUHVDJRBKE-CQSZACIVSA-N 0 3 307.394 2.241 20 5 DEBDHN Cc1nn(C)cc1[C@H](C)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000537967242 285023234 /nfs/dbraw/zinc/02/32/34/285023234.db2.gz ZTVCLMKSWQKROC-NSHDSACASA-N 0 3 304.350 2.366 20 5 DEBDHN O=[N+]([O-])c1ccc(CNC[C@H](O)Cc2cccc(F)c2)cc1 ZINC000294692706 224171488 /nfs/dbraw/zinc/17/14/88/224171488.db2.gz BVDCDUWHLUVHCZ-MRXNPFEDSA-N 0 3 304.321 2.427 20 5 DEBDHN Cc1ccc(NC(=O)N2CCN(C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000340251509 131274287 /nfs/dbraw/zinc/27/42/87/131274287.db2.gz LIHHSIMSLMLEHA-LBPRGKRZSA-N 0 3 306.366 2.461 20 5 DEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCC1(S(C)(=O)=O)CC1 ZINC000355416853 133025580 /nfs/dbraw/zinc/02/55/80/133025580.db2.gz BICGUICDYJTVIK-XYOKQWHBSA-N 0 3 324.402 2.165 20 5 DEBDHN C[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)N1CCC[C@H](C)C1 ZINC000246685190 145110746 /nfs/dbraw/zinc/11/07/46/145110746.db2.gz JAJCIGWDAACMIR-UONOGXRCSA-N 0 3 319.405 2.374 20 5 DEBDHN CNC(=O)[C@@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255669849 145204509 /nfs/dbraw/zinc/20/45/09/145204509.db2.gz IEHOUVPNZIYJAV-HJHHMULASA-N 0 3 303.362 2.066 20 5 DEBDHN C[C@H]1C[C@H]1N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000346280312 146053668 /nfs/dbraw/zinc/05/36/68/146053668.db2.gz VQDDYQJKMRRSRJ-HEHGZKQESA-N 0 3 317.389 2.397 20 5 DEBDHN Cc1c(CNC(=O)N[C@@H]2CCN(C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000358927260 147232095 /nfs/dbraw/zinc/23/20/95/147232095.db2.gz GMXOKBBDYDSVPI-SMDDNHRTSA-N 0 3 320.393 2.185 20 5 DEBDHN O=[N+]([O-])c1ccccc1OCCN[C@H](CO)c1cccc(F)c1 ZINC000359520247 147343271 /nfs/dbraw/zinc/34/32/71/147343271.db2.gz JMOQKDWISIISGY-CQSZACIVSA-N 0 3 320.320 2.436 20 5 DEBDHN C[C@H](C(=O)N1CC[S@](=O)CC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000565635674 292174053 /nfs/dbraw/zinc/17/40/53/292174053.db2.gz ANNSNICWFDBTMR-HIMNYSJASA-N 0 3 324.402 2.068 20 5 DEBDHN CC(=O)CCCCn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000565715749 292177408 /nfs/dbraw/zinc/17/74/08/292177408.db2.gz ONVGIWXICCPXOR-UHFFFAOYSA-N 0 3 305.290 2.171 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCOC[C@@H](C)C1 ZINC000374368613 148237165 /nfs/dbraw/zinc/23/71/65/148237165.db2.gz VOQYGZPLOIHMSL-LBPRGKRZSA-N 0 3 321.377 2.200 20 5 DEBDHN O=[N+]([O-])c1ccccc1OCCN1CC[C@H]([C@H]2CCOC2)C1 ZINC000374407844 148243456 /nfs/dbraw/zinc/24/34/56/148243456.db2.gz XLXTXXPUGKVCHD-KBPBESRZSA-N 0 3 306.362 2.332 20 5 DEBDHN C[C@H]1C[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000127560254 401739900 /nfs/dbraw/zinc/73/99/00/401739900.db2.gz OSOKQAYVSWZHOW-GXTWGEPZSA-N 0 3 317.389 2.269 20 5 DEBDHN CC[C@@](C)(O)CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000111384803 401714237 /nfs/dbraw/zinc/71/42/37/401714237.db2.gz ICTYGRJFMFAZDB-CYBMUJFWSA-N 0 3 304.293 2.447 20 5 DEBDHN Cc1cccc(C(=O)N(C)C[C@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000115439114 401827656 /nfs/dbraw/zinc/82/76/56/401827656.db2.gz UDFISSDCKLRKKY-ZDUSSCGKSA-N 0 3 305.378 2.317 20 5 DEBDHN COCCOC1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000116886267 401862858 /nfs/dbraw/zinc/86/28/58/401862858.db2.gz RRMMGCWUNWTVAX-UHFFFAOYSA-N 0 3 324.377 2.101 20 5 DEBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000085395519 401915611 /nfs/dbraw/zinc/91/56/11/401915611.db2.gz FONLOPZDCFAQBT-DOMZBBRYSA-N 0 3 320.393 2.076 20 5 DEBDHN Cc1c([C@H](C)NCCCN2CCOCC2)cccc1[N+](=O)[O-] ZINC000151193878 402022644 /nfs/dbraw/zinc/02/26/44/402022644.db2.gz RVBLYOKDUBNERF-AWEZNQCLSA-N 0 3 307.394 2.276 20 5 DEBDHN COCCCN(C)CCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000121739691 402051311 /nfs/dbraw/zinc/05/13/11/402051311.db2.gz NHRPLBHIZJQBPI-UHFFFAOYSA-N 0 3 303.309 2.253 20 5 DEBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000055405574 402081581 /nfs/dbraw/zinc/08/15/81/402081581.db2.gz PDDUHQCFKXZUNE-RYUDHWBXSA-N 0 3 320.393 2.148 20 5 DEBDHN C[C@H](NCCNC(=O)c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000124836654 402200232 /nfs/dbraw/zinc/20/02/32/402200232.db2.gz AMQRFJWSXWIDEN-NSHDSACASA-N 0 3 303.318 2.268 20 5 DEBDHN C[C@@H](CC[S@@](C)=O)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000125475893 402234677 /nfs/dbraw/zinc/23/46/77/402234677.db2.gz JGZOFGHLNHVCMF-UGZDLDLSSA-N 0 3 304.799 2.495 20 5 DEBDHN CCCCN(C)CCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000154402902 402211044 /nfs/dbraw/zinc/21/10/44/402211044.db2.gz RDANKAUTKYSNTO-UHFFFAOYSA-N 0 3 307.394 2.376 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000177155944 402376468 /nfs/dbraw/zinc/37/64/68/402376468.db2.gz WAVLJMAYGKQXFR-VXGBXAGGSA-N 0 3 303.362 2.258 20 5 DEBDHN CNC(=O)[C@@H]1CCCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245538398 402469088 /nfs/dbraw/zinc/46/90/88/402469088.db2.gz YZCVXOZWUCIJCU-CHWSQXEVSA-N 0 3 305.378 2.422 20 5 DEBDHN CN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C1CCN(C)CC1 ZINC000168441986 402496726 /nfs/dbraw/zinc/49/67/26/402496726.db2.gz ZVCHMVUTLRVATL-UHFFFAOYSA-N 0 3 311.769 2.414 20 5 DEBDHN Cc1ccc([C@H](C)NCCN2CCOC[C@@H]2C)cc1[N+](=O)[O-] ZINC000178660079 402523126 /nfs/dbraw/zinc/52/31/26/402523126.db2.gz AFQHGKTWZJDCJS-KBPBESRZSA-N 0 3 307.394 2.275 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCCO[C@H](C)C1 ZINC000170774594 402523750 /nfs/dbraw/zinc/52/37/50/402523750.db2.gz HQTPRLSORANFMN-CYBMUJFWSA-N 0 3 321.377 2.343 20 5 DEBDHN C[C@H](C(=O)NCc1ccccc1[N+](=O)[O-])N1[C@H](C)CC[C@@H]1C ZINC000249752492 402640755 /nfs/dbraw/zinc/64/07/55/402640755.db2.gz RQXGMFBFHHSNEN-FRRDWIJNSA-N 0 3 305.378 2.472 20 5 DEBDHN [NH3+][C@H]1CCc2nc([N-]C(=O)c3ccc([N+](=O)[O-])s3)sc2C1 ZINC000261679522 402715454 /nfs/dbraw/zinc/71/54/54/402715454.db2.gz MHDFGJUONIISER-LURJTMIESA-N 0 3 324.387 2.181 20 5 DEBDHN CCOc1ccc([C@@H](C)NCC(C)(C)C(N)=O)cc1[N+](=O)[O-] ZINC000183210465 402747364 /nfs/dbraw/zinc/74/73/64/402747364.db2.gz SLVOSRGQFURRBF-SNVBAGLBSA-N 0 3 309.366 2.156 20 5 DEBDHN Cc1c([C@H](C)NCCOc2cccc([N+](=O)[O-])c2)cnn1C ZINC000183403892 402763731 /nfs/dbraw/zinc/76/37/31/402763731.db2.gz JRJUDLDQPMESEE-NSHDSACASA-N 0 3 304.350 2.366 20 5 DEBDHN Cc1c([C@H](C)NC[C@H](O)c2cccc([N+](=O)[O-])c2)cnn1C ZINC000183470345 402770277 /nfs/dbraw/zinc/77/02/77/402770277.db2.gz HPVPMQUEFHMGFI-BONVTDFDSA-N 0 3 304.350 2.021 20 5 DEBDHN COCCN(C)CCN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279004689 402894587 /nfs/dbraw/zinc/89/45/87/402894587.db2.gz GEHIPYCJEIISLL-INIZCTEOSA-N 0 3 321.421 2.485 20 5 DEBDHN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CCCC[C@@H]1O ZINC000272512159 402946440 /nfs/dbraw/zinc/94/64/40/402946440.db2.gz KENHDHAGHMOXGU-KBMXLJTQSA-N 0 3 308.378 2.111 20 5 DEBDHN CCN1CCC[C@@H]1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000265772865 402948520 /nfs/dbraw/zinc/94/85/20/402948520.db2.gz IJEUFMVSIGPTDA-OAHLLOKOSA-N 0 3 319.405 2.473 20 5 DEBDHN CN(CCOc1ccccc1[N+](=O)[O-])C[C@H]1CCCC[C@H]1O ZINC000272594119 402957259 /nfs/dbraw/zinc/95/72/59/402957259.db2.gz UFOPQMYZVIXPLF-UKRRQHHQSA-N 0 3 308.378 2.457 20 5 DEBDHN CN1CC[C@H]2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H]2C1 ZINC000272255884 402915439 /nfs/dbraw/zinc/91/54/39/402915439.db2.gz ZEPAYNHQSOTSRY-IINYFYTJSA-N 0 3 306.322 2.033 20 5 DEBDHN CNC(=O)[C@]1(C)CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000280713659 403029370 /nfs/dbraw/zinc/02/93/70/403029370.db2.gz HQCMSAVPJPHWIT-MLGOLLRUSA-N 0 3 305.378 2.422 20 5 DEBDHN O=[N+]([O-])c1cnc(NC[C@@H]2CCCN2Cc2ccccc2)nc1 ZINC000273613747 403019964 /nfs/dbraw/zinc/01/99/64/403019964.db2.gz MRMGFYLKPQBSJP-AWEZNQCLSA-N 0 3 313.361 2.461 20 5 DEBDHN CN(C)[C@@]1(CNC(=O)Nc2cccc([N+](=O)[O-])c2)CCSC1 ZINC000267238155 403028312 /nfs/dbraw/zinc/02/83/12/403028312.db2.gz XRPCVIDREDMWLV-CQSZACIVSA-N 0 3 324.406 2.154 20 5 DEBDHN C[C@H]1CN(C)CC[C@H]1N(C)c1nc2sccn2c1[N+](=O)[O-] ZINC000267740372 403040539 /nfs/dbraw/zinc/04/05/39/403040539.db2.gz VCYPQWJRNWXEFL-VHSXEESVSA-N 0 3 309.395 2.080 20 5 DEBDHN CC1=C(C)CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000280828675 403041008 /nfs/dbraw/zinc/04/10/08/403041008.db2.gz VRNXQAIUGOEANP-CQSZACIVSA-N 0 3 306.362 2.377 20 5 DEBDHN C[C@@H]1C[C@@H](Nc2c([N+](=O)[O-])ncn2C)CN1Cc1ccccc1 ZINC000268152325 403055041 /nfs/dbraw/zinc/05/50/41/403055041.db2.gz MXZYFOYZQVBNDD-TZMCWYRMSA-N 0 3 315.377 2.403 20 5 DEBDHN Cc1cc(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000268265008 403068244 /nfs/dbraw/zinc/06/82/44/403068244.db2.gz TYYVEOZPGJAINY-IAQYHMDHSA-N 0 3 303.362 2.116 20 5 DEBDHN CC[C@H](O)[C@@H]1CCCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269642116 403152802 /nfs/dbraw/zinc/15/28/02/403152802.db2.gz JPCIEZOEPZTJKZ-JYJNAYRXSA-N 0 3 308.378 2.254 20 5 DEBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H]1CC(=O)N(C)C1 ZINC000271178361 403274203 /nfs/dbraw/zinc/27/42/03/403274203.db2.gz VJRZGBXUEFZISO-VXGBXAGGSA-N 0 3 323.418 2.286 20 5 DEBDHN COc1c(C(=O)N(C)C[C@@H]2CCCN(C)C2)cccc1[N+](=O)[O-] ZINC000331052378 403317516 /nfs/dbraw/zinc/31/75/16/403317516.db2.gz JCJTZKLSWGIUAD-GFCCVEGCSA-N 0 3 321.377 2.017 20 5 DEBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N(C)CCN(C)C1CC1 ZINC000342886363 403385140 /nfs/dbraw/zinc/38/51/40/403385140.db2.gz WZUWPPSSMOPNRD-UHFFFAOYSA-N 0 3 321.377 2.220 20 5 DEBDHN CC[C@H](NC(=O)[C@H](N)CC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000345752879 403469275 /nfs/dbraw/zinc/46/92/75/403469275.db2.gz UBQYWORITKAJFX-MNOVXSKESA-N 0 3 301.293 2.145 20 5 DEBDHN CCN1CCC(NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000299064463 403511687 /nfs/dbraw/zinc/51/16/87/403511687.db2.gz VTKDAVFEXFCWDF-GFCCVEGCSA-N 0 3 320.393 2.439 20 5 DEBDHN CC[C@H](C)N[C@H](CNc1c([N+](=O)[O-])ncn1C)c1ccco1 ZINC000343272696 403521643 /nfs/dbraw/zinc/52/16/43/403521643.db2.gz VMIXVVCVNWUTPZ-WDEREUQCSA-N 0 3 307.354 2.463 20 5 DEBDHN CCOc1ccc([C@H](C)NC[C@@H]2CC[C@@H](CO)O2)cc1[N+](=O)[O-] ZINC000340418913 403610489 /nfs/dbraw/zinc/61/04/89/403610489.db2.gz IWCPTBJCCHPMJH-UBHSHLNASA-N 0 3 324.377 2.184 20 5 DEBDHN CCOc1ccc(C(=O)N[C@H]2CCCN(C)[C@H]2C)cc1[N+](=O)[O-] ZINC000343528854 403624211 /nfs/dbraw/zinc/62/42/11/403624211.db2.gz MBTYEDDBTQYIBC-AAEUAGOBSA-N 0 3 321.377 2.206 20 5 DEBDHN CCCN1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000343586433 403651811 /nfs/dbraw/zinc/65/18/11/403651811.db2.gz DITNNOZBGYXXMI-ZDUSSCGKSA-N 0 3 321.377 2.208 20 5 DEBDHN COCC1(O)CCN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000347316452 403660885 /nfs/dbraw/zinc/66/08/85/403660885.db2.gz LKSABVBXISPGGG-GXDHUFHOSA-N 0 3 320.389 2.471 20 5 DEBDHN C[C@H]1CN(CCCNc2ccc(N)cc2[N+](=O)[O-])CCCO1 ZINC000287892840 403687095 /nfs/dbraw/zinc/68/70/95/403687095.db2.gz VAIUOEZVRTZAOZ-LBPRGKRZSA-N 0 3 308.382 2.090 20 5 DEBDHN C[C@H]1[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CCCN1C ZINC000343581394 403649714 /nfs/dbraw/zinc/64/97/14/403649714.db2.gz ZCOOLMPNNRVHMF-WFASDCNBSA-N 0 3 319.405 2.471 20 5 DEBDHN Cc1cc(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000343822553 403746659 /nfs/dbraw/zinc/74/66/59/403746659.db2.gz GWSQSFHKBVDQKZ-BXUZGUMPSA-N 0 3 303.362 2.116 20 5 DEBDHN CN(C[C@H](O)CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CC1 ZINC000289439446 403964316 /nfs/dbraw/zinc/96/43/16/403964316.db2.gz YUEKMKBAKIFYQN-KRWDZBQOSA-N 0 3 319.405 2.014 20 5 DEBDHN CC1(C)C[C@H](O)CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000295564653 403993651 /nfs/dbraw/zinc/99/36/51/403993651.db2.gz UFIABOVWTMOXOV-CYBMUJFWSA-N 0 3 308.378 2.457 20 5 DEBDHN CCN(C)C(=O)[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000296348278 404208565 /nfs/dbraw/zinc/20/85/65/404208565.db2.gz QGQOQFMDDIFNDV-HNNXBMFYSA-N 0 3 323.393 2.066 20 5 DEBDHN C[C@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CCN(C2CC2)C1 ZINC000296833603 404333107 /nfs/dbraw/zinc/33/31/07/404333107.db2.gz WRCREDUISHGUHQ-GUYCJALGSA-N 0 3 319.405 2.044 20 5 DEBDHN C[C@@H]1CCC[C@H](C)N1CCNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000342222287 404451331 /nfs/dbraw/zinc/45/13/31/404451331.db2.gz LCMKKJYHIRURMO-TXEJJXNPSA-N 0 3 320.393 2.369 20 5 DEBDHN COc1cc(C[NH2+]C[C@@H]2CCC[C@H](CO)C2)c([N+](=O)[O-])cc1[O-] ZINC000342246290 404465827 /nfs/dbraw/zinc/46/58/27/404465827.db2.gz MEDQQHVHVHFOPG-NEPJUHHUSA-N 0 3 324.377 2.197 20 5 DEBDHN CCS(=O)(=O)CCCNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000414547561 404674336 /nfs/dbraw/zinc/67/43/36/404674336.db2.gz VSOOFLKBHRFYBH-VMPITWQZSA-N 0 3 312.391 2.022 20 5 DEBDHN CC(C)(C)[C@@H]1NC(=O)CC[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000353145661 404752820 /nfs/dbraw/zinc/75/28/20/404752820.db2.gz WWJAWMKGWPUFDI-DZGCQCFKSA-N 0 3 305.378 2.378 20 5 DEBDHN CCO[C@@H]1COCC[C@@H]1NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000353153053 404756219 /nfs/dbraw/zinc/75/62/19/404756219.db2.gz PZQGHQCBVMLWPM-ZCGHOXCVSA-N 0 3 306.362 2.392 20 5 DEBDHN C[C@@H]1CCN[C@H](C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000423833870 404880803 /nfs/dbraw/zinc/88/08/03/404880803.db2.gz BXIQDDCKRZYQGM-RNCFNFMXSA-N 0 3 311.769 2.253 20 5 DEBDHN C[C@H]1CCN[C@@H](C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000423833871 404880830 /nfs/dbraw/zinc/88/08/30/404880830.db2.gz BXIQDDCKRZYQGM-TVQRCGJNSA-N 0 3 311.769 2.253 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000415498636 404871278 /nfs/dbraw/zinc/87/12/78/404871278.db2.gz ISXQLLQQQHMDTF-MFKMUULPSA-N 0 3 322.365 2.138 20 5 DEBDHN CO[C@@H]1C[C@@H](N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000439507955 405283060 /nfs/dbraw/zinc/28/30/60/405283060.db2.gz BMNCSTDGYBJQRH-LERXQTSPSA-N 0 3 321.377 2.325 20 5 DEBDHN CN(Cc1ccccc1)[C@H]1CCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000368119816 405228651 /nfs/dbraw/zinc/22/86/51/405228651.db2.gz YNXMOVDASPPTAA-AWEZNQCLSA-N 0 3 313.361 2.096 20 5 DEBDHN Cc1cc(NC(=O)N2CCC[C@H]3CN(C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000425663531 405311474 /nfs/dbraw/zinc/31/14/74/405311474.db2.gz PHYJBFJVEUVMKV-SWLSCSKDSA-N 0 3 318.377 2.461 20 5 DEBDHN CCOc1cc(CN2C[C@H](C)C[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000420932199 405408456 /nfs/dbraw/zinc/40/84/56/405408456.db2.gz DVOHPGLGJHIDID-OCCSQVGLSA-N 0 3 308.378 2.444 20 5 DEBDHN COC1([C@@H](C)NCc2ccc([N+](=O)[O-])cc2F)CCOCC1 ZINC000421025178 405433884 /nfs/dbraw/zinc/43/38/84/405433884.db2.gz DGGZZKKJEJWHRV-LLVKDONJSA-N 0 3 312.341 2.408 20 5 DEBDHN Cc1ccc(NC(=O)N(C)C[C@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000421036894 405438136 /nfs/dbraw/zinc/43/81/36/405438136.db2.gz OKNOZUZEPMZJOL-CYBMUJFWSA-N 0 3 306.366 2.461 20 5 DEBDHN CCN1C[C@@H](NC/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1=O ZINC000449518021 405593626 /nfs/dbraw/zinc/59/36/26/405593626.db2.gz MEHNETMKNBMXNX-GMMCIKNFSA-N 0 3 303.362 2.209 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)CCN1CCCC1 ZINC000421763974 405635338 /nfs/dbraw/zinc/63/53/38/405635338.db2.gz SMLWTICUGDSDAC-UHFFFAOYSA-N 0 3 305.378 2.379 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000568672215 292359426 /nfs/dbraw/zinc/35/94/26/292359426.db2.gz QTKIYCTWNMNGGE-GXTWGEPZSA-N 0 3 303.362 2.212 20 5 DEBDHN CN(C)CC(C)(C)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000457214468 405755943 /nfs/dbraw/zinc/75/59/43/405755943.db2.gz WQPHNSOLMPEHBV-UHFFFAOYSA-N 0 3 318.377 2.006 20 5 DEBDHN Cc1cc(NC[C@H]2CCCN2CCCO)c(F)cc1[N+](=O)[O-] ZINC000450592389 405969937 /nfs/dbraw/zinc/96/99/37/405969937.db2.gz HKZMHGRREORVKW-GFCCVEGCSA-N 0 3 311.357 2.301 20 5 DEBDHN CC(C)CN1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532691523 406093695 /nfs/dbraw/zinc/09/36/95/406093695.db2.gz MQPYEOHFYBLVLN-CYBMUJFWSA-N 0 3 320.393 2.230 20 5 DEBDHN CN1CC[C@@H]2CN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])C[C@@H]21 ZINC000568026118 406180557 /nfs/dbraw/zinc/18/05/57/406180557.db2.gz RGGFROORIDNTKZ-KCJUWKMLSA-N 0 3 316.283 2.149 20 5 DEBDHN C[C@@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCCC1 ZINC000534247673 406173680 /nfs/dbraw/zinc/17/36/80/406173680.db2.gz BCKNTKHTNFBMPF-NSHDSACASA-N 0 3 316.361 2.290 20 5 DEBDHN COc1cc(CN2CCN(C)[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000488032531 406287175 /nfs/dbraw/zinc/28/71/75/406287175.db2.gz OLKYJOYCRSDXBS-OAHLLOKOSA-N 0 3 307.394 2.375 20 5 DEBDHN O=c1c2cc([N+](=O)[O-])ccc2ccn1CCN1CCCCC1 ZINC000570632170 406418403 /nfs/dbraw/zinc/41/84/03/406418403.db2.gz DHVUOTZCCZTUCT-UHFFFAOYSA-N 0 3 301.346 2.396 20 5 DEBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NCCN2CC[C@H](C)C2)c1 ZINC000525291442 406482133 /nfs/dbraw/zinc/48/21/33/406482133.db2.gz GXJIXBVIBZAAJO-NSHDSACASA-N 0 3 323.418 2.388 20 5 DEBDHN CN(CCN1CCCC1)C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000491448202 406595494 /nfs/dbraw/zinc/59/54/94/406595494.db2.gz IECMDKLQAFJBKP-HJWRWDBZSA-N 0 3 303.362 2.162 20 5 DEBDHN Cc1ccc(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000549152587 406578078 /nfs/dbraw/zinc/57/80/78/406578078.db2.gz VNRWDUQOKCGQNJ-ZDUSSCGKSA-N 0 3 322.386 2.494 20 5 DEBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNCc2cccs2)c1 ZINC000555516236 406845890 /nfs/dbraw/zinc/84/58/90/406845890.db2.gz SUJVFLCYZGKTHU-GFCCVEGCSA-N 0 3 308.359 2.186 20 5 DEBDHN Cc1c(CC(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000129173572 196025959 /nfs/dbraw/zinc/02/59/59/196025959.db2.gz LGTQFUMYPHBFDM-RISCZKNCSA-N 0 3 317.389 2.187 20 5 DEBDHN COc1cccc(C(=O)NCCN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000195425342 225205782 /nfs/dbraw/zinc/20/57/82/225205782.db2.gz PTAWYHYBRFUOIR-UHFFFAOYSA-N 0 3 321.377 2.065 20 5 DEBDHN COc1cccc(C(=O)NCCN2CCCCCC2)c1[N+](=O)[O-] ZINC000195417039 225205803 /nfs/dbraw/zinc/20/58/03/225205803.db2.gz NFERIWVRNDCPJZ-UHFFFAOYSA-N 0 3 321.377 2.209 20 5 DEBDHN CC[C@@H](C)[N@H+](C)CC[N-]c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000357242949 424815331 /nfs/dbraw/zinc/81/53/31/424815331.db2.gz WVMCUBHLJWZESD-LLVKDONJSA-N 0 3 319.365 2.787 20 5 DEBDHN CC[C@@H](C)[N@@H+](C)CC[N-]c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000357242949 424815333 /nfs/dbraw/zinc/81/53/33/424815333.db2.gz WVMCUBHLJWZESD-LLVKDONJSA-N 0 3 319.365 2.787 20 5 DEBDHN CCN(CCNC(=O)/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000209809146 424884599 /nfs/dbraw/zinc/88/45/99/424884599.db2.gz KUSUNLVJRZVIDP-YFHOEESVSA-N 0 3 303.362 2.209 20 5 DEBDHN COCCNCCNc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000216060457 424884836 /nfs/dbraw/zinc/88/48/36/424884836.db2.gz OLWYSJMLZAEDMC-UHFFFAOYSA-N 0 3 307.272 2.262 20 5 DEBDHN CCN1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC000579852631 424965866 /nfs/dbraw/zinc/96/58/66/424965866.db2.gz SAUBGXKEMWZTAV-LBPRGKRZSA-N 0 3 308.382 2.673 20 5 DEBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](CN2CCOC2=O)C1 ZINC000496952277 269270224 /nfs/dbraw/zinc/27/02/24/269270224.db2.gz ZIUMSODEYNBDPS-STQMWFEESA-N 0 3 319.361 2.430 20 5 DEBDHN CCN1CCC[C@H]1CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000514770957 269331102 /nfs/dbraw/zinc/33/11/02/269331102.db2.gz RCHSGAVFAFRDHM-WFASDCNBSA-N 0 3 305.378 2.299 20 5 DEBDHN CN(C)[C@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@H]1O ZINC000359953225 273819790 /nfs/dbraw/zinc/81/97/90/273819790.db2.gz AFHKNKGJRFYCJE-WDEREUQCSA-N 0 3 320.176 2.013 20 5 DEBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)c1nc2sccn2c1[N+](=O)[O-] ZINC000267740374 274334837 /nfs/dbraw/zinc/33/48/37/274334837.db2.gz VCYPQWJRNWXEFL-ZJUUUORDSA-N 0 3 309.395 2.080 20 5 DEBDHN CCN1CCC[C@H]1CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000149111128 276186997 /nfs/dbraw/zinc/18/69/97/276186997.db2.gz QZYQAPCUJQTVKB-JTQLQIEISA-N 0 3 311.769 2.462 20 5 DEBDHN CN1CCC[C@]2(CCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])C2)C1 ZINC000294108186 277086212 /nfs/dbraw/zinc/08/62/12/277086212.db2.gz LCHFXHHLVIVCEV-INIZCTEOSA-N 0 3 321.352 2.292 20 5 DEBDHN CS[C@H]1CN(c2ncc([N+](=O)[O-])s2)C[C@@H]1N1CCCC1 ZINC000281806952 278168598 /nfs/dbraw/zinc/16/85/98/278168598.db2.gz GOWRFDSRWMAVHF-UWVGGRQHSA-N 0 3 314.436 2.067 20 5 DEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](CO)CC(F)(F)F ZINC000449205059 278298934 /nfs/dbraw/zinc/29/89/34/278298934.db2.gz KNXCSUHQUVYBFQ-GXSJLCMTSA-N 0 3 306.284 2.429 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(N2CCC(OCCN(C)C)CC2)c1 ZINC000447063232 281010442 /nfs/dbraw/zinc/01/04/42/281010442.db2.gz JWLBPHFIZPPENF-UHFFFAOYSA-N 0 3 307.394 2.450 20 5 DEBDHN CN1CC[C@H]2OCCN(c3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000284565071 290237517 /nfs/dbraw/zinc/23/75/17/290237517.db2.gz NUCDFAOURREROT-ZIAGYGMSSA-N 0 3 311.769 2.158 20 5 DEBDHN C[C@@H](NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000574130753 326125013 /nfs/dbraw/zinc/12/50/13/326125013.db2.gz SBOITJFKANRKKS-CHWSQXEVSA-N 0 3 317.389 2.465 20 5 DEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000574586078 326168817 /nfs/dbraw/zinc/16/88/17/326168817.db2.gz NMSYRJQHPTUTJH-GLQYFDAESA-N 0 3 324.402 2.147 20 5 DEBDHN C[C@@H]1COCCN1C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000576456062 326294761 /nfs/dbraw/zinc/29/47/61/326294761.db2.gz UMCJKAGDQSIRIG-CQSZACIVSA-N 0 3 319.405 2.280 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CCCN(CCCO)C1 ZINC000577262585 326353033 /nfs/dbraw/zinc/35/30/33/326353033.db2.gz OATBQYQIFIZCGM-LSDHHAIUSA-N 0 3 321.421 2.401 20 5 DEBDHN C[C@H](NC1CC1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000294941726 533797061 /nfs/dbraw/zinc/79/70/61/533797061.db2.gz BTJUGRUGSNAICJ-NSHDSACASA-N 0 3 303.362 2.226 20 5 DEBDHN COc1cc(C[NH2+]C[C@@]2(O)CCCC2(C)C)c([N+](=O)[O-])cc1[O-] ZINC000293010852 533882123 /nfs/dbraw/zinc/88/21/23/533882123.db2.gz PTKKFIMAESBGIN-INIZCTEOSA-N 0 3 324.377 2.340 20 5 DEBDHN CCN1CCC[C@H]1CNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000159908895 521654594 /nfs/dbraw/zinc/65/45/94/521654594.db2.gz RGKRAEJNJMYAHC-AWEZNQCLSA-N 0 3 305.378 2.046 20 5 DEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCC1([S@](C)=O)CC1 ZINC000441206597 527501379 /nfs/dbraw/zinc/50/13/79/527501379.db2.gz WLZHSZFOIIHYLB-UOMAQRANSA-N 0 3 308.403 2.499 20 5 DEBDHN CC[C@@H](NCCN1CCC(O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000295822728 529165118 /nfs/dbraw/zinc/16/51/18/529165118.db2.gz BYONJULSYMMIRJ-MRXNPFEDSA-N 0 3 307.394 2.092 20 5 DEBDHN CC(C)N1C[C@H](N[C@H](C)Cc2ccccc2[N+](=O)[O-])CC1=O ZINC000449155732 535266763 /nfs/dbraw/zinc/26/67/63/535266763.db2.gz LZSNLUPQOXJECY-TZMCWYRMSA-N 0 3 305.378 2.125 20 5 DEBDHN CCOc1ccc([C@@H](C)N[C@@H](C)CC(=O)NC)cc1[N+](=O)[O-] ZINC000453370271 535412928 /nfs/dbraw/zinc/41/29/28/535412928.db2.gz NGAYOACXVNCSAN-WDEREUQCSA-N 0 3 309.366 2.169 20 5 DEBDHN CN(C)CCN(Cc1ccsc1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000458199408 535870249 /nfs/dbraw/zinc/87/02/49/535870249.db2.gz IMFSRCRPCMTOKL-UHFFFAOYSA-N 0 3 323.374 2.453 20 5 DEBDHN CN(C(=O)CN1CCC[C@@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000377547140 535988077 /nfs/dbraw/zinc/98/80/77/535988077.db2.gz WMIYFJPXSOBVLD-OAHLLOKOSA-N 0 3 303.362 2.432 20 5 DEBDHN CCn1cc(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000353961344 536073720 /nfs/dbraw/zinc/07/37/20/536073720.db2.gz VUQGKNOGKRAKBF-ZIAGYGMSSA-N 0 3 318.381 2.281 20 5 DEBDHN CN1CCC2(CCN(Cc3ccc([N+](=O)[O-])c(F)c3)CC2)C1=O ZINC000374517081 536349743 /nfs/dbraw/zinc/34/97/43/536349743.db2.gz AUXMHVFBKCNFKQ-UHFFFAOYSA-N 0 3 321.352 2.178 20 5 DEBDHN CN1CC[C@@H]2CCN(C(=O)/C=C\c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000492402401 536460382 /nfs/dbraw/zinc/46/03/82/536460382.db2.gz XBCIURQZBHNSJF-HCDJPTGHSA-N 0 3 315.373 2.161 20 5 DEBDHN C[C@H]1C[C@@H](Nc2c([N+](=O)[O-])cnn2C)CN1Cc1ccccc1 ZINC000892899007 625697185 /nfs/dbraw/zinc/69/71/85/625697185.db2.gz IDDREEBTFKVYBE-GXTWGEPZSA-N 0 3 315.377 2.403 20 5 DEBDHN CN(C)[C@@H](CNc1c([N+](=O)[O-])cnn1C)c1ccc(F)cc1 ZINC000891904178 624654985 /nfs/dbraw/zinc/65/49/85/624654985.db2.gz DTYHPNMSPOYUOF-LBPRGKRZSA-N 0 3 307.329 2.182 20 5 DEBDHN COc1c([O-])ccc(C[NH2+]CCc2cccnc2)c1[N+](=O)[O-] ZINC000892540493 625127087 /nfs/dbraw/zinc/12/70/87/625127087.db2.gz LUVATJKVTWFOFO-UHFFFAOYSA-N 0 3 303.318 2.036 20 5 DEBDHN CC[C@@H](C)[C@@H](CNCc1ccc(O)c(OC)c1[N+](=O)[O-])OC ZINC000894678316 637158514 /nfs/dbraw/zinc/15/85/14/637158514.db2.gz GPZMUDHFPOYSLD-ZWNOBZJWSA-N 0 3 312.366 2.460 20 5 DEBDHN O=[N+]([O-])c1cccc([C@@H](O)CNCc2cccc3c2OCO3)c1 ZINC000749687230 638671602 /nfs/dbraw/zinc/67/16/02/638671602.db2.gz IMFNGFPRNTUFSB-AWEZNQCLSA-N 0 3 316.313 2.147 20 5 DEBDHN CC(C)(C)C(=O)CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000753748462 639337971 /nfs/dbraw/zinc/33/79/71/639337971.db2.gz ONNMAUURRGUQGQ-GFCCVEGCSA-N 0 3 320.393 2.481 20 5 DEBDHN O=[N+]([O-])c1ccc(Cl)cc1CN[C@@H](CO)[C@H]1CCCOC1 ZINC000839650862 639779625 /nfs/dbraw/zinc/77/96/25/639779625.db2.gz NMYSDOMECLUWRQ-GWCFXTLKSA-N 0 3 314.769 2.125 20 5 DEBDHN Cc1cc(F)cc(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000758598419 639977604 /nfs/dbraw/zinc/97/76/04/639977604.db2.gz XZTDTSZTNBMWSO-HZMBPMFUSA-N 0 3 321.352 2.255 20 5 DEBDHN CCn1cc([C@H](C)NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000765847341 640823448 /nfs/dbraw/zinc/82/34/48/640823448.db2.gz BAERHVWDDATVCF-XHDPSFHLSA-N 0 3 304.350 2.195 20 5 DEBDHN CCn1cc([C@@H](C)NC[C@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000765847337 640823497 /nfs/dbraw/zinc/82/34/97/640823497.db2.gz BAERHVWDDATVCF-ABAIWWIYSA-N 0 3 304.350 2.195 20 5 DEBDHN COc1cc(CONC(=N)COC(C)C)c([N+](=O)[O-])cc1F ZINC000766070225 640844137 /nfs/dbraw/zinc/84/41/37/640844137.db2.gz VJQSGBONOAUIMW-UHFFFAOYSA-N 0 3 315.301 2.166 20 5 DEBDHN O=[N+]([O-])c1ccccc1/C=C\CNCc1cnc2n1CCOC2 ZINC000898269741 641077787 /nfs/dbraw/zinc/07/77/87/641077787.db2.gz BBKFLTIBJDBUAJ-HYXAFXHYSA-N 0 3 314.345 2.125 20 5 DEBDHN CC(COC(=O)c1c(C(F)(F)F)nc2ccccn21)[N+](=O)[O-] ZINC000842363611 650718563 /nfs/dbraw/zinc/71/85/63/650718563.db2.gz MJEXLAWENVTSHS-ZETCQYMHSA-N 0 3 317.223 2.175 20 5 DEBDHN CC(C)CN1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000842570053 650766307 /nfs/dbraw/zinc/76/63/07/650766307.db2.gz RRSUBNKZHOQTGV-YVMONPNESA-N 0 3 317.389 2.408 20 5 DEBDHN C[C@@H]1[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCN1C ZINC000902929758 643195559 /nfs/dbraw/zinc/19/55/59/643195559.db2.gz YHAIZCNJPAEUNA-LDYMZIIASA-N 0 3 312.757 2.462 20 5 DEBDHN Cn1nc(C2CC2)cc1CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000905620689 643972442 /nfs/dbraw/zinc/97/24/42/643972442.db2.gz UNJOPQYZQIDYQQ-MRXNPFEDSA-N 0 3 316.361 2.029 20 5 DEBDHN COc1cc(C(=O)NCCN2CCC[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000792460158 644116048 /nfs/dbraw/zinc/11/60/48/644116048.db2.gz RKHCMCBSNLMSPN-NSHDSACASA-N 0 3 321.377 2.126 20 5 DEBDHN CCN1CCC[C@@H]1CNC(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC000843756352 651025474 /nfs/dbraw/zinc/02/54/74/651025474.db2.gz XIIRTJOGARDWKW-LLVKDONJSA-N 0 3 309.341 2.256 20 5 DEBDHN O=[N+]([O-])c1cccc([N+](=O)[O-])c1N[C@@H]1CCN(CC2CC2)C1 ZINC000804441829 645771496 /nfs/dbraw/zinc/77/14/96/645771496.db2.gz KLSVOEHOGFQJDN-LLVKDONJSA-N 0 3 306.322 2.399 20 5 DEBDHN CC(COC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)[N+](=O)[O-] ZINC000813102666 646728491 /nfs/dbraw/zinc/72/84/91/646728491.db2.gz IJYFSTUNGJPCHP-FZMZJTMJSA-N 0 3 309.318 2.066 20 5 DEBDHN CC(COC(=O)c1ccc(Br)cc1F)[N+](=O)[O-] ZINC000813103750 646729037 /nfs/dbraw/zinc/72/90/37/646729037.db2.gz SIBYLFUQIXUMJK-ZCFIWIBFSA-N 0 3 306.087 2.410 20 5 DEBDHN Cc1oc(-c2ccsc2)nc1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813106546 646729742 /nfs/dbraw/zinc/72/97/42/646729742.db2.gz DEHKLBNRFQMAJD-QMMMGPOBSA-N 0 3 310.331 2.462 20 5 DEBDHN CC(COC(=O)c1cnn(-c2cccc(Cl)c2)c1)[N+](=O)[O-] ZINC000813108611 646730810 /nfs/dbraw/zinc/73/08/10/646730810.db2.gz IFKFICLATZTFRN-SECBINFHSA-N 0 3 309.709 2.348 20 5 DEBDHN CC(COC(=O)c1cccc(OC[C@H]2CCCO2)c1)[N+](=O)[O-] ZINC000813111543 646731388 /nfs/dbraw/zinc/73/13/88/646731388.db2.gz UMVIEKQLILAJHA-SMDDNHRTSA-N 0 3 309.318 2.066 20 5 DEBDHN CC(COC(=O)c1cc(F)cc(Br)c1)[N+](=O)[O-] ZINC000813114636 646733461 /nfs/dbraw/zinc/73/34/61/646733461.db2.gz DUFWQWZSAMIFJN-LURJTMIESA-N 0 3 306.087 2.410 20 5 DEBDHN CC(C)[C@@H]1CN(C)CCN1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000153648161 647590737 /nfs/dbraw/zinc/59/07/37/647590737.db2.gz AAMLWZBLVUQJGB-INIZCTEOSA-N 0 3 317.393 2.174 20 5 DEBDHN CCCN(C(=O)Nc1ccc(N)c([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000823927067 648501502 /nfs/dbraw/zinc/50/15/02/648501502.db2.gz MEDMBHCDKRCUNV-GFCCVEGCSA-N 0 3 321.381 2.125 20 5 DEBDHN CC([C@@H](OC(=O)Cc1cncnc1)c1ccccc1F)[N+](=O)[O-] ZINC000845876270 651291641 /nfs/dbraw/zinc/29/16/41/651291641.db2.gz BSBKLWMYLDWXBV-ZUZCIYMTSA-N 0 3 319.292 2.108 20 5 DEBDHN CCn1ncc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])n1 ZINC000845884321 651291867 /nfs/dbraw/zinc/29/18/67/651291867.db2.gz XPUYTRQBGDWYFA-TVQRCGJNSA-N 0 3 322.296 2.000 20 5 DEBDHN CC(=O)C1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000846940145 651363407 /nfs/dbraw/zinc/36/34/07/651363407.db2.gz JJUUGKVFHPJOKQ-UHFFFAOYSA-N 0 3 319.361 2.224 20 5 DEBDHN CC(COC(=O)CCc1ccc2c(c1)OC(F)(F)O2)[N+](=O)[O-] ZINC000847714303 651412885 /nfs/dbraw/zinc/41/28/85/651412885.db2.gz PPVXVXVNQHICMH-QMMMGPOBSA-N 0 3 317.244 2.149 20 5 DEBDHN C/C(=C/C(=O)N1CCN[C@H](C(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000856490086 651942216 /nfs/dbraw/zinc/94/22/16/651942216.db2.gz VVUIVVATSZQKAF-DDKJEQMHSA-N 0 3 317.389 2.455 20 5 DEBDHN CC1(C)CC[C@@H](CO)N(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000856803987 651989061 /nfs/dbraw/zinc/98/90/61/651989061.db2.gz OKZFAJZBTQIDBT-LSDHHAIUSA-N 0 3 308.378 2.111 20 5 DEBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@H](O)c1ccccn1 ZINC000852018702 652315253 /nfs/dbraw/zinc/31/52/53/652315253.db2.gz PHKMFVZCVDMOPD-INIZCTEOSA-N 0 3 301.346 2.198 20 5 DEBDHN COCCN1[C@H](C)CN(CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000130444001 684189007 /nfs/dbraw/zinc/18/90/07/684189007.db2.gz GABGRNUSOBONIU-GASCZTMLSA-N 0 3 321.421 2.178 20 5 DEBDHN CN1C[C@@H]2CCN(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000929212752 693917474 /nfs/dbraw/zinc/91/74/74/693917474.db2.gz TZXGJQODDHCXDR-TVQRCGJNSA-N 0 3 324.768 2.416 20 5 DEBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000860011091 685870116 /nfs/dbraw/zinc/87/01/16/685870116.db2.gz UGVBMMNSSOUZIP-SKDRFNHKSA-N 0 3 323.780 2.461 20 5 DEBDHN CO[C@H]1CN(C)[C@](C)(COC(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000861344358 686049912 /nfs/dbraw/zinc/04/99/12/686049912.db2.gz OWTZCZMVLQOTFT-CJNGLKHVSA-N 0 3 322.361 2.169 20 5 DEBDHN CC(C)N1CC[C@@H](N[C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1=O ZINC000866297927 687526432 /nfs/dbraw/zinc/52/64/32/687526432.db2.gz PGUIDSCYGWLEOE-SMDDNHRTSA-N 0 3 323.368 2.264 20 5 DEBDHN CC(C)[C@H]1CN(Cn2ncc3ccc([N+](=O)[O-])cc32)CCN1C ZINC000872739053 689080277 /nfs/dbraw/zinc/08/02/77/689080277.db2.gz YNCJVUADLIBBIQ-MRXNPFEDSA-N 0 3 317.393 2.174 20 5 DEBDHN C[C@@H]1CN(Cc2ccc(CN(C)CC[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000930861190 694256836 /nfs/dbraw/zinc/25/68/36/694256836.db2.gz AHVGXHXELBBKEM-GASCZTMLSA-N 0 3 321.421 2.004 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN[C@H]1CC(=O)N(C(C)C)C1 ZINC000873057175 689149924 /nfs/dbraw/zinc/14/99/24/689149924.db2.gz OXSRCQFLVQYDEC-ZDUSSCGKSA-N 0 3 305.378 2.311 20 5 DEBDHN C[C@@H]1CC[C@H](C(N)=O)[C@H](C)N1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000930910849 694269938 /nfs/dbraw/zinc/26/99/38/694269938.db2.gz JJZOXISPWCCHOB-SCVCMEIPSA-N 0 3 309.341 2.208 20 5 DEBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000874823136 689499724 /nfs/dbraw/zinc/49/97/24/689499724.db2.gz GAMUWEAVBWABNW-OLZOCXBDSA-N 0 3 321.352 2.351 20 5 DEBDHN O=C1CCN(Cc2ccccc2[N+](=O)[O-])CCCCCCN1 ZINC000877686435 690191484 /nfs/dbraw/zinc/19/14/84/690191484.db2.gz WJYKCTZWYGFTDI-UHFFFAOYSA-N 0 3 305.378 2.477 20 5 DEBDHN C[C@](CO)(NC[C@@H](O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000879273729 690608019 /nfs/dbraw/zinc/60/80/19/690608019.db2.gz YDBDTBBZVFYRLM-IAGOWNOFSA-N 0 3 316.357 2.126 20 5 DEBDHN Cc1c(CN2C[C@@H](O)CC3(CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000880588853 690935289 /nfs/dbraw/zinc/93/52/89/690935289.db2.gz HOYHPWZHQTXTPA-HNNXBMFYSA-N 0 3 320.389 2.267 20 5 DEBDHN CN(C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)[C@H]1CCCN(C)C1 ZINC000931609862 694439307 /nfs/dbraw/zinc/43/93/07/694439307.db2.gz LWIIRYDAHAGEAX-NSHDSACASA-N 0 3 310.329 2.292 20 5 DEBDHN COc1cc(CN[C@H](CO)CC(C)C)c([N+](=O)[O-])cc1OC ZINC000882915906 691385831 /nfs/dbraw/zinc/38/58/31/691385831.db2.gz BXTSXSCISBZLFO-LBPRGKRZSA-N 0 3 312.366 2.109 20 5 DEBDHN COC[C@H](NCc1cc([N+](=O)[O-])ccc1OC)[C@H]1CCCOC1 ZINC000883185616 691451387 /nfs/dbraw/zinc/45/13/87/691451387.db2.gz AUKQBYYFMXNXDS-WFASDCNBSA-N 0 3 324.377 2.135 20 5 DEBDHN CC(C)OC(=O)C[C@@H](NCc1cccnc1[N+](=O)[O-])C(C)C ZINC000886270984 692041540 /nfs/dbraw/zinc/04/15/40/692041540.db2.gz UIGJVXRKUIGVQL-CYBMUJFWSA-N 0 3 309.366 2.446 20 5 DEBDHN O=[N+]([O-])c1ccn(CCN2CC[C@@]3(CC(F)(F)C3(F)F)C2)n1 ZINC000931917351 694505846 /nfs/dbraw/zinc/50/58/46/694505846.db2.gz XUXOZSQRDXSEPT-SNVBAGLBSA-N 0 3 322.262 2.158 20 5 DEBDHN COC[C@H](NCc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000886915341 692230232 /nfs/dbraw/zinc/23/02/32/692230232.db2.gz CMPUGGCBXMMFEP-JSGCOSHPSA-N 0 3 312.341 2.265 20 5 DEBDHN CCCN(CCN(C)C)C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000932034959 694533842 /nfs/dbraw/zinc/53/38/42/694533842.db2.gz SVIBTISWDFKUPX-CVEARBPZSA-N 0 3 319.405 2.499 20 5 DEBDHN C[C@H](C[C@H]1CCC(=O)N1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000925515083 693286945 /nfs/dbraw/zinc/28/69/45/693286945.db2.gz SITXPQZMKUPITP-MWLCHTKSSA-N 0 3 311.769 2.395 20 5 DEBDHN CCN(C(=O)Nc1cc(C)cc([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC001350263110 1151338720 /nfs/dbraw/zinc/33/87/20/1151338720.db2.gz VGSJLZDUTZTWCT-ZDUSSCGKSA-N 0 3 306.366 2.461 20 5 DEBDHN C[C@H]1CN[C@@H](C)[C@H](C)N1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC001354891298 1151952193 /nfs/dbraw/zinc/95/21/93/1151952193.db2.gz BFVKJYPALGPKPR-AVGNSLFASA-N 0 3 305.378 2.125 20 5 DEBDHN CS(=O)(=O)CCCCNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000692784669 778454863 /nfs/dbraw/zinc/45/48/63/778454863.db2.gz RORQWOXUTHIYNW-UHFFFAOYSA-N 0 3 320.798 2.163 20 5 DEBDHN COC(=O)[C@H]1CC[C@H](Nc2cc3c(cc2[N+](=O)[O-])CNC3)CC1 ZINC001167828664 778674514 /nfs/dbraw/zinc/67/45/14/778674514.db2.gz CNMAFQPSHLEIMU-MJHDQNEOSA-N 0 3 319.361 2.342 20 5 DEBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](NCc2nc(Br)cs2)C1 ZINC001168999029 784997530 /nfs/dbraw/zinc/99/75/30/784997530.db2.gz RBAYRKJLJKTLAE-HTQZYQBOSA-N 0 3 320.212 2.441 20 5 DEBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CC[C@@H](N3CCCCC3)[C@@H](F)C2)C1 ZINC001169051939 785023310 /nfs/dbraw/zinc/02/33/10/785023310.db2.gz DPJGTFKWUHYOOT-FXUDXRNXSA-N 0 3 313.417 2.330 20 5 DEBDHN COc1ccc(C[C@H](C)NC[C@@H](O)C(F)(F)F)c([N+](=O)[O-])c1 ZINC001170306195 786902803 /nfs/dbraw/zinc/90/28/03/786902803.db2.gz RJPKPFICXKLHOM-QPUJVOFHSA-N 0 3 322.283 2.047 20 5 DEBDHN CCCN(C)CC(=O)N(C)CCNc1ccc([N+](=O)[O-])c(C)c1 ZINC001101705667 793331160 /nfs/dbraw/zinc/33/11/60/793331160.db2.gz QYUHRUKUFHFRCX-UHFFFAOYSA-N 0 3 322.409 2.115 20 5 DEBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)n2cncc2CN)c1F ZINC001173176476 793619359 /nfs/dbraw/zinc/61/93/59/793619359.db2.gz JKFAPBDKNLKSRF-SECBINFHSA-N 0 3 308.313 2.201 20 5 DEBDHN CCN1C[C@@H](NC(=O)c2cc(OC)ccc2[N+](=O)[O-])C(C)(C)C1 ZINC001178860634 795022106 /nfs/dbraw/zinc/02/21/06/795022106.db2.gz GYPDGAXZJOCBKV-CQSZACIVSA-N 0 3 321.377 2.064 20 5 DEBDHN C/C(=C/C(=O)NCCNCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001124217606 796046573 /nfs/dbraw/zinc/04/65/73/796046573.db2.gz TYNGXABNZBETOK-BENRWUELSA-N 0 3 303.362 2.157 20 5 DEBDHN Cc1nc(N2CCN[C@H](c3ccc(O)cc3)C2)ccc1[N+](=O)[O-] ZINC001187496563 796543650 /nfs/dbraw/zinc/54/36/50/796543650.db2.gz HJVGZIXFKFUKRZ-AWEZNQCLSA-N 0 3 314.345 2.155 20 5 DEBDHN Cc1ccnc(N[C@H]2CCCC[C@@]23CNCCO3)c1[N+](=O)[O-] ZINC001155824087 797857206 /nfs/dbraw/zinc/85/72/06/797857206.db2.gz JEVBACQMVNYTAT-SWLSCSKDSA-N 0 3 306.366 2.011 20 5 DEBDHN Nc1nc(-n2cncc2CNCc2ccccc2)ccc1[N+](=O)[O-] ZINC001156496548 798015934 /nfs/dbraw/zinc/01/59/34/798015934.db2.gz LXPNNMCYJDCZLO-UHFFFAOYSA-N 0 3 324.344 2.048 20 5 DEBDHN Cc1cnc(-n2nc(-c3ccncc3)cc2CN)c([N+](=O)[O-])c1 ZINC001160338351 798677377 /nfs/dbraw/zinc/67/73/77/798677377.db2.gz YDRNPILEDTZVEG-UHFFFAOYSA-N 0 3 310.317 2.005 20 5 DEBDHN Cc1ccn2c(c1)nnc2CNc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001162697988 799150903 /nfs/dbraw/zinc/15/09/03/799150903.db2.gz AHZSAFMCKBJFHH-UHFFFAOYSA-N 0 3 324.344 2.161 20 5 DEBDHN COc1cc([N+](=O)[O-])cnc1-n1c2ccccc2nc1[C@H](C)N ZINC001162759943 799167913 /nfs/dbraw/zinc/16/79/13/799167913.db2.gz JWGJIIWMXJAUKB-VIFPVBQESA-N 0 3 313.317 2.357 20 5 DEBDHN O=[N+]([O-])c1ccc(-n2ncc3c2CCNC3)nc1-c1ccccc1 ZINC001165222500 799677097 /nfs/dbraw/zinc/67/70/97/799677097.db2.gz CXFLCHRCRAPIQO-UHFFFAOYSA-N 0 3 321.340 2.488 20 5 DEBDHN CC(C)C[C@@H]1CN(C)CCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000933251948 800053182 /nfs/dbraw/zinc/05/31/82/800053182.db2.gz NCMRKURXGCVADH-IAGOWNOFSA-N 0 3 321.421 2.290 20 5 DEBDHN CN(CCCNC(=O)c1ccc[nH]1)Cc1ccc([N+](=O)[O-])cc1 ZINC001233872702 802231894 /nfs/dbraw/zinc/23/18/94/802231894.db2.gz DIMCDKILGPVICX-UHFFFAOYSA-N 0 3 316.361 2.175 20 5 DEBDHN COc1cc(CO[C@@H]2CCCN(C)C2)c([N+](=O)[O-])cc1OC ZINC001223908431 802822460 /nfs/dbraw/zinc/82/24/60/802822460.db2.gz FZFPBPQQNNNSJL-GFCCVEGCSA-N 0 3 310.350 2.223 20 5 DEBDHN COC(=O)Cc1ccc(O[C@@H]2CCN(C(C)C)C2)c([N+](=O)[O-])c1 ZINC001226213593 803072053 /nfs/dbraw/zinc/07/20/53/803072053.db2.gz FEHKJLNNXNHKFT-CYBMUJFWSA-N 0 3 322.361 2.172 20 5 DEBDHN O=[N+]([O-])c1cnc(O[C@@H]2CCN(Cc3ccccc3)C2)nc1 ZINC001226730468 803150581 /nfs/dbraw/zinc/15/05/81/803150581.db2.gz GNUZSGLTQNPABE-CQSZACIVSA-N 0 3 300.318 2.038 20 5 DEBDHN COCCN1CCC(Oc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001226744519 803152717 /nfs/dbraw/zinc/15/27/17/803152717.db2.gz QIRXOSGKMZAAEI-UHFFFAOYSA-N 0 3 316.304 2.363 20 5 DEBDHN COC(=O)c1cccc(O[C@H]2CCN(C(C)C)C2)c1[N+](=O)[O-] ZINC001227894756 803292540 /nfs/dbraw/zinc/29/25/40/803292540.db2.gz OEMUALKWPNBOQQ-NSHDSACASA-N 0 3 308.334 2.243 20 5 DEBDHN COc1c([O-])ccc(C[NH2+]CC2(C)CCOCC2)c1[N+](=O)[O-] ZINC001335469745 1150427103 /nfs/dbraw/zinc/42/71/03/1150427103.db2.gz ASLOVYIMFRDBGY-UHFFFAOYSA-N 0 3 310.350 2.215 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1OC(=O)C1CCCN(C2CC2)C1=O ZINC001343576626 1150754050 /nfs/dbraw/zinc/75/40/50/1150754050.db2.gz RQGCYOCGPMKZET-ZDUSSCGKSA-N 0 3 318.329 2.210 20 5 DEBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H](N)C1CCCCC1 ZINC001346017620 1150934628 /nfs/dbraw/zinc/93/46/28/1150934628.db2.gz NMYVIHHUOMOTAX-OAHLLOKOSA-N 0 3 305.378 2.461 20 5 DEBDHN C[C@@H](C1CC1)[N@H+](C)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001603436884 1069967357 /nfs/dbraw/zinc/96/73/57/1069967357.db2.gz PYQDAXGFJIPJGG-VIFPVBQESA-N 0 3 302.338 2.005 20 5 DEBDHN C[C@@H](C1CC1)[N@@H+](C)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001603436884 1069967362 /nfs/dbraw/zinc/96/73/62/1069967362.db2.gz PYQDAXGFJIPJGG-VIFPVBQESA-N 0 3 302.338 2.005 20 5 DEBDHN C[C@@H](C1CC1)[N@H+](C)Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001603436884 1069967366 /nfs/dbraw/zinc/96/73/66/1069967366.db2.gz PYQDAXGFJIPJGG-VIFPVBQESA-N 0 3 302.338 2.005 20 5 DEBDHN C[C@@H](C1CC1)[N@@H+](C)Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001603436884 1069967369 /nfs/dbraw/zinc/96/73/69/1069967369.db2.gz PYQDAXGFJIPJGG-VIFPVBQESA-N 0 3 302.338 2.005 20 5 DEBDHN C[C@@H]1CCCC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001603889543 1070137414 /nfs/dbraw/zinc/13/74/14/1070137414.db2.gz CMBAUARELPTGGC-LLVKDONJSA-N 0 3 316.365 2.397 20 5 DEBDHN C[C@@H]1CCCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001603889543 1070137419 /nfs/dbraw/zinc/13/74/19/1070137419.db2.gz CMBAUARELPTGGC-LLVKDONJSA-N 0 3 316.365 2.397 20 5 DEBDHN C[C@@H]1CCCC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001603889543 1070137422 /nfs/dbraw/zinc/13/74/22/1070137422.db2.gz CMBAUARELPTGGC-LLVKDONJSA-N 0 3 316.365 2.397 20 5 DEBDHN C[C@@H]1CCCC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001603889543 1070137426 /nfs/dbraw/zinc/13/74/26/1070137426.db2.gz CMBAUARELPTGGC-LLVKDONJSA-N 0 3 316.365 2.397 20 5 DEBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1C[NH+]1CCCCCC1 ZINC001607084026 1071292423 /nfs/dbraw/zinc/29/24/23/1071292423.db2.gz QQWUYCKAQKNFGJ-UHFFFAOYSA-N 0 3 302.338 2.151 20 5 DEBDHN CCN1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2OC)C(C)(C)C1 ZINC001645342281 1078895848 /nfs/dbraw/zinc/89/58/48/1078895848.db2.gz ZXQSFJBTLWPXET-CYBMUJFWSA-N 0 3 321.377 2.064 20 5 DEBDHN C[C@@H](CNC(=O)CN1CC[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC001558603168 1075101154 /nfs/dbraw/zinc/10/11/54/1075101154.db2.gz KQDHMQLVPCJUFT-STQMWFEESA-N 0 3 305.378 2.156 20 5 DEBDHN Cc1cocc1C(=O)N(C)CCNCc1cccc([N+](=O)[O-])c1 ZINC001481265645 1079491724 /nfs/dbraw/zinc/49/17/24/1079491724.db2.gz BMCHXBFZTNDNSY-UHFFFAOYSA-N 0 3 317.345 2.358 20 5 DEBDHN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)n1 ZINC001585026148 1076334953 /nfs/dbraw/zinc/33/49/53/1076334953.db2.gz VAZQETOEBKFXKE-HIFRSBDPSA-N 0 3 318.377 2.045 20 5 DEBDHN O=[N+]([O-])c1cnn(CCNCc2cnc3c(F)cccc3c2)c1 ZINC001620845367 1076451257 /nfs/dbraw/zinc/45/12/57/1076451257.db2.gz RIZLBVBHUCMVPB-UHFFFAOYSA-N 0 3 315.308 2.268 20 5 DEBDHN CC[C@]1(C)CC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590489697 1076639632 /nfs/dbraw/zinc/63/96/32/1076639632.db2.gz KDPVIHNOJXKCGW-OAHLLOKOSA-N 0 3 316.365 2.397 20 5 DEBDHN CC[C@]1(C)CC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590489697 1076639633 /nfs/dbraw/zinc/63/96/33/1076639633.db2.gz KDPVIHNOJXKCGW-OAHLLOKOSA-N 0 3 316.365 2.397 20 5 DEBDHN O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1C[NH2+]C1(C2CCC2)CC1 ZINC001593481117 1077009202 /nfs/dbraw/zinc/00/92/02/1077009202.db2.gz GZLAUQUFKVKEGY-UHFFFAOYSA-N 0 3 314.349 2.197 20 5 DEBDHN O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1C[NH2+]C1(C2CCC2)CC1 ZINC001593481117 1077009208 /nfs/dbraw/zinc/00/92/08/1077009208.db2.gz GZLAUQUFKVKEGY-UHFFFAOYSA-N 0 3 314.349 2.197 20 5 DEBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC2CCOCC2)c1 ZINC001656084762 1080037706 /nfs/dbraw/zinc/03/77/06/1080037706.db2.gz DBGSSINFCVXGTG-UHFFFAOYSA-N 0 3 302.277 2.465 20 5 DEBDHN O=C(NC/C=C/CNCc1ccc([N+](=O)[O-])cc1)C1=CCCC1 ZINC001482997849 1082614722 /nfs/dbraw/zinc/61/47/22/1082614722.db2.gz MVFHYWFOWICNSR-ONEGZZNKSA-N 0 3 315.373 2.467 20 5 DEBDHN COc1c(O)ccc(CN(C[C@H]2CCOC2)C2CC2)c1[N+](=O)[O-] ZINC001336672823 1142529242 /nfs/dbraw/zinc/52/92/42/1142529242.db2.gz IPTQTOFELVDYJG-LLVKDONJSA-N 0 3 322.361 2.310 20 5 DEBDHN C[N@@H+]1C[C@@]23CN(c4cc[n-]c(=O)c4[N+](=O)[O-])C[C@]2(C1)CCCC3 ZINC001336804012 1142578637 /nfs/dbraw/zinc/57/86/37/1142578637.db2.gz AFLAQUQYIMVUIZ-IYBDPMFKSA-N 0 3 318.377 2.008 20 5 DEBDHN C[N@H+]1C[C@@]23CN(c4cc[n-]c(=O)c4[N+](=O)[O-])C[C@]2(C1)CCCC3 ZINC001336804012 1142578659 /nfs/dbraw/zinc/57/86/59/1142578659.db2.gz AFLAQUQYIMVUIZ-IYBDPMFKSA-N 0 3 318.377 2.008 20 5 DEBDHN C[C@@H](NC(=O)N1C[C@@H](C)NC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC001336976824 1142645501 /nfs/dbraw/zinc/64/55/01/1142645501.db2.gz GQDZCYNPIKYZBT-GRYCIOLGSA-N 0 3 306.366 2.048 20 5 DEBDHN CC(=O)N(C)C1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254607727 1143281178 /nfs/dbraw/zinc/28/11/78/1143281178.db2.gz MQZVDJHZGXSQJG-KRWDZBQOSA-N 0 3 317.389 2.005 20 5 DEBDHN CCOc1ccc(C(=O)N2[C@H](C)CN[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC001341027887 1143526844 /nfs/dbraw/zinc/52/68/44/1143526844.db2.gz KUPKFFFDOYRAOT-WOPDTQHZSA-N 0 3 321.377 2.204 20 5 DEBDHN CC(C)(F)C(=O)NCC1(NCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001280464583 1144841193 /nfs/dbraw/zinc/84/11/93/1144841193.db2.gz VIOWJCZXLXKHOC-UHFFFAOYSA-N 0 3 323.368 2.471 20 5 DEBDHN CC(C)(F)C(=O)NC[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001316626500 1145390537 /nfs/dbraw/zinc/39/05/37/1145390537.db2.gz DETYWTTZDDJEFI-AULYBMBSSA-N 0 3 323.368 2.327 20 5 DEBDHN COc1c([O-])ccc(C[NH2+]CC[C@@H]2CCCC[C@@H]2O)c1[N+](=O)[O-] ZINC001308961604 1147491387 /nfs/dbraw/zinc/49/13/87/1147491387.db2.gz YAVTWHPCROFZID-AAEUAGOBSA-N 0 3 324.377 2.340 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(NCCCN2CCCO[C@H](C)C2)n1 ZINC000278297366 214075473 /nfs/dbraw/zinc/07/54/73/214075473.db2.gz XNWJLNAECHRTEC-CYBMUJFWSA-N 0 3 308.382 2.211 20 5 DEBDHN O=[N+]([O-])c1cc2c(cc1CN[C@H]1CCC[C@@H]1CCO)OCCO2 ZINC000614587625 362414948 /nfs/dbraw/zinc/41/49/48/362414948.db2.gz UNGCZTXXUJVEJD-YPMHNXCESA-N 0 3 322.361 2.007 20 5 DEBDHN COC[C@H](CO)NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000279776786 215136283 /nfs/dbraw/zinc/13/62/83/215136283.db2.gz KYNAXBJBGKELSE-NSHDSACASA-N 0 3 322.386 2.420 20 5 DEBDHN CN(CC1CCN(C)CC1)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000255630256 282654010 /nfs/dbraw/zinc/65/40/10/282654010.db2.gz ICBINOZZRKAMMW-SREVYHEPSA-N 0 3 317.389 2.408 20 5 DEBDHN C[C@@H](NC(=O)NC[C@@H]1CCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000139725303 186024178 /nfs/dbraw/zinc/02/41/78/186024178.db2.gz GZNDWDBXUSCZSF-RISCZKNCSA-N 0 3 306.366 2.049 20 5 DEBDHN CCC1(CC)[C@H](OC)C[C@H]1N(C)CCn1cc([N+](=O)[O-])cn1 ZINC000140657671 186027925 /nfs/dbraw/zinc/02/79/25/186027925.db2.gz IREYWXLNUUYGCD-ZIAGYGMSSA-N 0 3 310.398 2.317 20 5 DEBDHN C[C@@H]1C[C@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])CCN1C ZINC000149461453 186050173 /nfs/dbraw/zinc/05/01/73/186050173.db2.gz RQRLFMAWYWNANW-NXEZZACHSA-N 0 3 311.769 2.461 20 5 DEBDHN Cc1nn(C)c(N2CCN(C3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000152434574 186072598 /nfs/dbraw/zinc/07/25/98/186072598.db2.gz GQZDQTPMFFNFQD-UHFFFAOYSA-N 0 3 307.398 2.091 20 5 DEBDHN C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000287167784 219356135 /nfs/dbraw/zinc/35/61/35/219356135.db2.gz OBAMLUMPDUZKGC-JQWIXIFHSA-N 0 3 309.391 2.355 20 5 DEBDHN NC(=O)c1ccc(CN2CCC[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000072693536 191216030 /nfs/dbraw/zinc/21/60/30/191216030.db2.gz GBKJSJPTAONRIB-FZMZJTMJSA-N 0 3 303.362 2.458 20 5 DEBDHN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCN(C2CCCC2)CC1 ZINC000173051624 198181015 /nfs/dbraw/zinc/18/10/15/198181015.db2.gz MCZWKKGYJSDZFC-UHFFFAOYSA-N 0 3 317.389 2.224 20 5 DEBDHN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](N2CC=CC2)C1 ZINC000173227248 198198189 /nfs/dbraw/zinc/19/81/89/198198189.db2.gz XICJKHPAWWIDSB-CQSZACIVSA-N 0 3 302.334 2.073 20 5 DEBDHN COC[C@H]1CCCN(CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000173742341 198246938 /nfs/dbraw/zinc/24/69/38/198246938.db2.gz NTAOWXRRBKTGGR-ZDUSSCGKSA-N 0 3 324.377 2.341 20 5 DEBDHN C[C@@H](C(=O)NCC1(N(C)C)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000617768789 363259122 /nfs/dbraw/zinc/25/91/22/363259122.db2.gz AQZCXBYRACYAMO-GFCCVEGCSA-N 0 3 305.378 2.299 20 5 DEBDHN CCN1CCC(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000029606604 354113931 /nfs/dbraw/zinc/11/39/31/354113931.db2.gz HVADTKSICJXBMU-UHFFFAOYSA-N 0 3 311.769 2.462 20 5 DEBDHN Cc1nn(C)c(NCCN(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000053582808 354438972 /nfs/dbraw/zinc/43/89/72/354438972.db2.gz JSLLWUAXDPKJEB-UHFFFAOYSA-N 0 3 303.366 2.181 20 5 DEBDHN C[C@@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)N1CCC[C@H](C)C1 ZINC000068084503 354795449 /nfs/dbraw/zinc/79/54/49/354795449.db2.gz CLTLHPPFUPQXJZ-RYUDHWBXSA-N 0 3 320.393 2.027 20 5 DEBDHN CN1CCN(CCCCNc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000075669949 355100610 /nfs/dbraw/zinc/10/06/10/355100610.db2.gz TVOQCALLZPXBLC-UHFFFAOYSA-N 0 3 310.373 2.173 20 5 DEBDHN Cc1ccc(N2CCN([C@@H]3CCCN(C)C3)CC2)c([N+](=O)[O-])c1 ZINC000080640964 355377124 /nfs/dbraw/zinc/37/71/24/355377124.db2.gz BHLTUEKSFWYJSW-OAHLLOKOSA-N 0 3 318.421 2.119 20 5 DEBDHN Cc1c([C@@H](C)NC[C@H](O)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000090054313 355553510 /nfs/dbraw/zinc/55/35/10/355553510.db2.gz LICILWDMZRBKGX-WBMJQRKESA-N 0 3 308.378 2.341 20 5 DEBDHN C[C@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C1CCC1 ZINC000157621614 355955474 /nfs/dbraw/zinc/95/54/74/355955474.db2.gz JLGVCQGNEQDHRF-NHYWBVRUSA-N 0 3 303.362 2.478 20 5 DEBDHN Cc1cc(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n[nH]1 ZINC000618569254 363531064 /nfs/dbraw/zinc/53/10/64/363531064.db2.gz ZYUUCSGRANVLHV-CHWSQXEVSA-N 0 3 304.354 2.096 20 5 DEBDHN Cc1cc(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)[nH]n1 ZINC000618569254 363531068 /nfs/dbraw/zinc/53/10/68/363531068.db2.gz ZYUUCSGRANVLHV-CHWSQXEVSA-N 0 3 304.354 2.096 20 5 DEBDHN C[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)N2C)c1cccc([N+](=O)[O-])c1 ZINC000579422334 356969475 /nfs/dbraw/zinc/96/94/75/356969475.db2.gz BYKJSXHWQMSLAD-XPKDYRNWSA-N 0 3 317.389 2.393 20 5 DEBDHN C[C@H](C(=O)N[C@H]1CCN(C)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000581114256 357132461 /nfs/dbraw/zinc/13/24/61/357132461.db2.gz KHEKSVXZVQYMBM-DYEKYZERSA-N 0 3 305.378 2.297 20 5 DEBDHN C[C@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])[C@H](C)N1CCOCC1 ZINC000581260553 357158989 /nfs/dbraw/zinc/15/89/89/357158989.db2.gz JHZVMFWWLJDOHH-HEHGZKQESA-N 0 3 319.405 2.281 20 5 DEBDHN COc1cc(CN[C@H]2CC[C@@H](CO)CC2)c([N+](=O)[O-])cc1OC ZINC000590646814 357572335 /nfs/dbraw/zinc/57/23/35/357572335.db2.gz WPKDONDNHXBMQQ-BJHJDKERSA-N 0 3 324.377 2.253 20 5 DEBDHN CC[C@H](C)N1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000590725989 357593979 /nfs/dbraw/zinc/59/39/79/357593979.db2.gz DIASHOWRTZPXBI-LBPRGKRZSA-N 0 3 315.377 2.459 20 5 DEBDHN CC1(C)C[C@H](NC[C@H]2CCCNC2=O)c2cc([N+](=O)[O-])ccc21 ZINC000591244719 357694270 /nfs/dbraw/zinc/69/42/70/357694270.db2.gz DKGGJFZWPJPUIP-ABAIWWIYSA-N 0 3 317.389 2.433 20 5 DEBDHN CCCN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@@H]1CCN(C)C1 ZINC000592830018 357953221 /nfs/dbraw/zinc/95/32/21/357953221.db2.gz AUALAEGQBHMVNQ-CQSZACIVSA-N 0 3 305.378 2.080 20 5 DEBDHN CCCN(CCN(C)C)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593068757 358000785 /nfs/dbraw/zinc/00/07/85/358000785.db2.gz OOELAEFZCBLZCJ-UHFFFAOYSA-N 0 3 311.357 2.077 20 5 DEBDHN CC(C)Oc1nc(N2CC[C@@H]3CCN(C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000594576826 358296052 /nfs/dbraw/zinc/29/60/52/358296052.db2.gz BGTQIRVHGXDOOK-GXTWGEPZSA-N 0 3 320.393 2.307 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCCO[C@@H]1CCOC1 ZINC000595018395 358378337 /nfs/dbraw/zinc/37/83/37/358378337.db2.gz NNHFFYPEKAWNTA-GXTWGEPZSA-N 0 3 324.377 2.450 20 5 DEBDHN CCN1C[C@@H](CN[C@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1=O ZINC000595044570 358382538 /nfs/dbraw/zinc/38/25/38/358382538.db2.gz CDOQNTQAVORRSH-VXGBXAGGSA-N 0 3 321.377 2.122 20 5 DEBDHN CO[C@@H](CNC(C)(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000595418166 358443384 /nfs/dbraw/zinc/44/33/84/358443384.db2.gz DARURJPZFUWOSB-DOMZBBRYSA-N 0 3 308.378 2.471 20 5 DEBDHN C[C@H](CO)[C@@H]1CCCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000595674528 358518902 /nfs/dbraw/zinc/51/89/02/358518902.db2.gz LDMYGXUISFWVNM-KGLIPLIRSA-N 0 3 308.378 2.457 20 5 DEBDHN CCN1CCN(CCNc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000596075100 358604403 /nfs/dbraw/zinc/60/44/03/358604403.db2.gz YUXSQJDLVGRDIP-UHFFFAOYSA-N 0 3 312.801 2.298 20 5 DEBDHN CCn1nccc1CN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000596094817 358609385 /nfs/dbraw/zinc/60/93/85/358609385.db2.gz MLJPDMXNCMIYIO-UONOGXRCSA-N 0 3 318.381 2.281 20 5 DEBDHN CN(CCNc1cc[nH]c(=O)c1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000596150044 358622797 /nfs/dbraw/zinc/62/27/97/358622797.db2.gz DGGWSBQNWMDJHM-UHFFFAOYSA-N 0 3 320.324 2.378 20 5 DEBDHN O=c1[n-]ccc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000596170682 358629178 /nfs/dbraw/zinc/62/91/78/358629178.db2.gz VARVRYLREHKVCG-YPMHNXCESA-N 0 3 318.377 2.149 20 5 DEBDHN O=c1[n-]ccc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000596170682 358629182 /nfs/dbraw/zinc/62/91/82/358629182.db2.gz VARVRYLREHKVCG-YPMHNXCESA-N 0 3 318.377 2.149 20 5 DEBDHN CNc1c(C(=O)N[C@H]2CCN(C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000597923242 359042485 /nfs/dbraw/zinc/04/24/85/359042485.db2.gz NPMYPNVCDNCYSC-NSHDSACASA-N 0 3 320.393 2.239 20 5 DEBDHN CCCN1CC[C@H](NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000598342021 359169187 /nfs/dbraw/zinc/16/91/87/359169187.db2.gz JYKUGFXAXUEJAX-NEPJUHHUSA-N 0 3 323.368 2.438 20 5 DEBDHN CC1CC(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000598729426 359307706 /nfs/dbraw/zinc/30/77/06/359307706.db2.gz JLGKOYPZYZMYKK-UHFFFAOYSA-N 0 3 312.391 2.004 20 5 DEBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)CNCC2 ZINC000429321647 237383579 /nfs/dbraw/zinc/38/35/79/237383579.db2.gz YRHBGNWRGFYIIB-UHFFFAOYSA-N 0 3 312.329 2.196 20 5 DEBDHN COc1cccc(CCNCc2ccc(OC)c([N+](=O)[O-])c2)n1 ZINC000344956288 404469717 /nfs/dbraw/zinc/46/97/17/404469717.db2.gz PXYOQBQUVXTUHP-UHFFFAOYSA-N 0 3 317.345 2.339 20 5 DEBDHN C[C@@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000601422597 360036622 /nfs/dbraw/zinc/03/66/22/360036622.db2.gz USQLPEICHGWLSG-SNVBAGLBSA-N 0 3 307.325 2.114 20 5 DEBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000602292063 360332077 /nfs/dbraw/zinc/33/20/77/360332077.db2.gz LLKGRTBYLFRELS-AAEUAGOBSA-N 0 3 321.352 2.290 20 5 DEBDHN CN(C)CCN(CCc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCO1 ZINC000602658454 360479766 /nfs/dbraw/zinc/47/97/66/360479766.db2.gz YDCCUWYPRKEVEI-KRWDZBQOSA-N 0 3 321.421 2.180 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000602797832 360560722 /nfs/dbraw/zinc/56/07/22/360560722.db2.gz MEZLYBKFBIWYRD-GJZGRUSLSA-N 0 3 322.409 2.238 20 5 DEBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)C1Cc2ccccc2C1 ZINC000602763459 360541620 /nfs/dbraw/zinc/54/16/20/360541620.db2.gz KSRAOVGTJHHDPE-UHFFFAOYSA-N 0 3 300.362 2.199 20 5 DEBDHN CN(C)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])cn2C)c1 ZINC000603589850 360847646 /nfs/dbraw/zinc/84/76/46/360847646.db2.gz JAVGIBKKDDUSFV-UHFFFAOYSA-N 0 3 302.334 2.247 20 5 DEBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1ccccn1 ZINC000604476563 360908793 /nfs/dbraw/zinc/90/87/93/360908793.db2.gz ZMFFSSARZPQFEW-LBPRGKRZSA-N 0 3 314.345 2.497 20 5 DEBDHN Cc1cc(N[C@@H](C)CCN2CCN(C)CC2)c(F)cc1[N+](=O)[O-] ZINC000292812183 223256314 /nfs/dbraw/zinc/25/63/14/223256314.db2.gz ZFGIZNRUWAXPCL-ZDUSSCGKSA-N 0 3 324.400 2.480 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000609675089 361333444 /nfs/dbraw/zinc/33/34/44/361333444.db2.gz UARPIUTZWNZGTI-HNNXBMFYSA-N 0 3 318.421 2.119 20 5 DEBDHN COC(=O)[C@H]1CC[C@@H](NCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000193499461 201064793 /nfs/dbraw/zinc/06/47/93/201064793.db2.gz ODHHUUDZONROCF-NWDGAFQWSA-N 0 3 308.334 2.035 20 5 DEBDHN CCC1(O)CCC([NH2+]Cc2cc(OC)c([O-])cc2[N+](=O)[O-])CC1 ZINC000611314564 361577953 /nfs/dbraw/zinc/57/79/53/361577953.db2.gz INJZMKKIOAYLOH-UHFFFAOYSA-N 0 3 324.377 2.482 20 5 DEBDHN CCN1C[C@@H](C)N(c2ncnc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000611712432 361664348 /nfs/dbraw/zinc/66/43/48/361664348.db2.gz LCPYMVCEGIMZOI-VXGBXAGGSA-N 0 3 315.377 2.457 20 5 DEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000194822868 201295036 /nfs/dbraw/zinc/29/50/36/201295036.db2.gz JQLRVQLSLRLGQD-NEPJUHHUSA-N 0 3 303.362 2.258 20 5 DEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NC[C@@](C)(O)C(F)(F)F ZINC000449207421 240198904 /nfs/dbraw/zinc/19/89/04/240198904.db2.gz CABTZZXAJVKKPH-BXKDBHETSA-N 0 3 306.284 2.429 20 5 DEBDHN CO[C@H]1C[C@H](NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1(C)C ZINC000451484984 243016855 /nfs/dbraw/zinc/01/68/55/243016855.db2.gz CFMKCMYGXNTJKX-STQMWFEESA-N 0 3 321.377 2.245 20 5 DEBDHN COc1ccc(OCCN2CC[C@H](OC)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000451542401 243091975 /nfs/dbraw/zinc/09/19/75/243091975.db2.gz JQDTURJKOLYLLI-DOMZBBRYSA-N 0 3 324.377 2.339 20 5 DEBDHN O=[N+]([O-])c1ccc(OCCN2CC[C@@H]3C[C@H](O)CC[C@H]3C2)cc1 ZINC000451709506 243342357 /nfs/dbraw/zinc/34/23/57/243342357.db2.gz OMKYWFCBPFYUGY-IJEWVQPXSA-N 0 3 320.389 2.457 20 5 DEBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC1CCN(C)CC1 ZINC000093906646 193327067 /nfs/dbraw/zinc/32/70/67/193327067.db2.gz GFANVNWCLBJFBH-UHFFFAOYSA-N 0 3 305.378 2.344 20 5 DEBDHN O=[N+]([O-])c1cccc(N2CCN(CCCCCCO)CC2)c1 ZINC000267520141 206120299 /nfs/dbraw/zinc/12/02/99/206120299.db2.gz LRHQPNQCDMMTFW-UHFFFAOYSA-N 0 3 307.394 2.270 20 5 DEBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000492123933 249002495 /nfs/dbraw/zinc/00/24/95/249002495.db2.gz DSJZPNIPQBSGPG-KYXKSCCESA-N 0 3 315.373 2.207 20 5 DEBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000493240762 249257242 /nfs/dbraw/zinc/25/72/42/249257242.db2.gz XBFMEQFZKXRXHM-NHYWBVRUSA-N 0 3 321.352 2.290 20 5 DEBDHN C[C@H](NC[C@H]1CCCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000284204013 217928335 /nfs/dbraw/zinc/92/83/35/217928335.db2.gz SQNXAKOUAJKHHR-NWDGAFQWSA-N 0 3 312.391 2.070 20 5 DEBDHN O=C(NCc1ccc([N+](=O)[O-])cc1)NC1CCN(C2CC2)CC1 ZINC000056459618 184012840 /nfs/dbraw/zinc/01/28/40/184012840.db2.gz DQMFFFBBWZBOFF-UHFFFAOYSA-N 0 3 318.377 2.021 20 5 DEBDHN O=[N+]([O-])c1cc(Cl)cnc1N1CCN(c2ccncc2)CC1 ZINC000153531782 285091952 /nfs/dbraw/zinc/09/19/52/285091952.db2.gz VLWXBMYKGMPSNZ-UHFFFAOYSA-N 0 3 319.752 2.365 20 5 DEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC(C2CC2)C2CC2)cc1 ZINC000272957921 210343333 /nfs/dbraw/zinc/34/33/33/210343333.db2.gz ROASBMXCDXORBN-UHFFFAOYSA-N 0 3 324.402 2.147 20 5 DEBDHN O=[N+]([O-])c1cc2c(ncnc2N2CCN(CC3CC3)CC2)s1 ZINC000286488776 219015482 /nfs/dbraw/zinc/01/54/82/219015482.db2.gz VDYQHUPYIDVSLE-UHFFFAOYSA-N 0 3 319.390 2.132 20 5 DEBDHN NC(=O)[C@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000157134725 197165076 /nfs/dbraw/zinc/16/50/76/197165076.db2.gz YRWBYWREDIHEIG-NSHDSACASA-N 0 3 315.329 2.162 20 5 DEBDHN O=[N+]([O-])c1cnn(CCN2CCC(c3ccncc3)CC2)c1 ZINC000191662367 285189097 /nfs/dbraw/zinc/18/90/97/285189097.db2.gz PAZNYCOJKDPPIJ-UHFFFAOYSA-N 0 3 301.350 2.066 20 5 DEBDHN COc1ccc(NC(=O)NC[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000542031397 285206869 /nfs/dbraw/zinc/20/68/69/285206869.db2.gz FDQIDKCTSPDOHR-NSHDSACASA-N 0 3 322.365 2.067 20 5 DEBDHN Cc1cnn([C@@H]2CCN(CCOc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000289907963 221307536 /nfs/dbraw/zinc/30/75/36/221307536.db2.gz NUOHXZHTCNACDM-OAHLLOKOSA-N 0 3 316.361 2.426 20 5 DEBDHN COc1cccc(C(=O)N(C)CC2(N(C)C)CCC2)c1[N+](=O)[O-] ZINC000194934971 533393527 /nfs/dbraw/zinc/39/35/27/533393527.db2.gz BSIJGTYNSPGSRD-UHFFFAOYSA-N 0 3 321.377 2.160 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1CN1CCC(c2nc[nH]n2)CC1 ZINC000366630718 131048591 /nfs/dbraw/zinc/04/85/91/131048591.db2.gz GXQFHEAPKZNVGN-UHFFFAOYSA-N 0 3 317.349 2.101 20 5 DEBDHN COC(=O)COc1ccc(CN2C[C@@H](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000355734024 133044910 /nfs/dbraw/zinc/04/49/10/133044910.db2.gz SVIQTEOPBHZGLA-VXGBXAGGSA-N 0 3 322.361 2.234 20 5 DEBDHN O=[N+]([O-])c1cnn(CCN2CCC(Cc3cccnc3)CC2)c1 ZINC000362641120 133242804 /nfs/dbraw/zinc/24/28/04/133242804.db2.gz ONUUACUHCCYSCZ-UHFFFAOYSA-N 0 3 315.377 2.141 20 5 DEBDHN C[C@@H]1C[C@H](c2cccnc2)N(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000376549809 133299942 /nfs/dbraw/zinc/29/99/42/133299942.db2.gz BEDNJDHARNJNGB-TZMCWYRMSA-N 0 3 301.350 2.269 20 5 DEBDHN C[C@H](N[C@@H]1CCO[C@H]1C1CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000377274304 133325021 /nfs/dbraw/zinc/32/50/21/133325021.db2.gz XUZVDNWMUJCARO-ZBINZKHDSA-N 0 3 319.361 2.079 20 5 DEBDHN COCc1cc([N+](=O)[O-])ccc1NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000373675404 133399994 /nfs/dbraw/zinc/39/99/94/133399994.db2.gz SCBWHUZSTZXPNC-CABCVRRESA-N 0 3 321.377 2.016 20 5 DEBDHN CC[C@H](NCCCS(=O)(=O)CC)c1cccc([N+](=O)[O-])c1 ZINC000342279448 404482413 /nfs/dbraw/zinc/48/24/13/404482413.db2.gz GBGROXXDRBFVNC-AWEZNQCLSA-N 0 3 314.407 2.460 20 5 DEBDHN COc1cc(CN[C@@H]2C[C@H]3OCCC[C@@H]23)c([N+](=O)[O-])cc1OC ZINC000249843174 145190740 /nfs/dbraw/zinc/19/07/40/145190740.db2.gz OBBCTDMFFUWVFZ-OUCADQQQSA-N 0 3 322.361 2.269 20 5 DEBDHN C[C@H](NCCCOc1ccc([N+](=O)[O-])cc1)c1cnn(C)c1 ZINC000348323623 146255033 /nfs/dbraw/zinc/25/50/33/146255033.db2.gz XUZZGHGYVSBZPT-LBPRGKRZSA-N 0 3 304.350 2.448 20 5 DEBDHN CC[C@@H]1CC[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000348365548 146261200 /nfs/dbraw/zinc/26/12/00/146261200.db2.gz BYUXACCMIKKRRG-BXUZGUMPSA-N 0 3 312.391 2.147 20 5 DEBDHN CCOc1ccc(CN(C)CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000358270116 147103584 /nfs/dbraw/zinc/10/35/84/147103584.db2.gz VTLMQJMNXGXYED-UHFFFAOYSA-N 0 3 304.350 2.322 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000374882106 148301254 /nfs/dbraw/zinc/30/12/54/148301254.db2.gz PJNDUMSHZATFGX-WFASDCNBSA-N 0 3 303.362 2.069 20 5 DEBDHN Cn1cnc([N+](=O)[O-])c1CN1CCC[C@@H]1[C@@H]1CCCC[C@]1(C)O ZINC000375456861 148375720 /nfs/dbraw/zinc/37/57/20/148375720.db2.gz BCVPWDYLMYSBLZ-ZENOOKHLSA-N 0 3 322.409 2.234 20 5 DEBDHN O=[N+]([O-])c1ccc(N2CCN(CC3CCOCC3)CC2)cc1 ZINC000112696618 401754713 /nfs/dbraw/zinc/75/47/13/401754713.db2.gz TUHIMCWPZUFMNZ-UHFFFAOYSA-N 0 3 305.378 2.143 20 5 DEBDHN CC1(C)CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000112703055 401755456 /nfs/dbraw/zinc/75/54/56/401755456.db2.gz VGENMIYHLDZSJF-CQSZACIVSA-N 0 3 308.378 2.457 20 5 DEBDHN C[C@@H](C(=O)NCc1ccccc1[N+](=O)[O-])N1CCCCCC1 ZINC000114239729 401795030 /nfs/dbraw/zinc/79/50/30/401795030.db2.gz FQRXGGNOEHBVOV-ZDUSSCGKSA-N 0 3 305.378 2.476 20 5 DEBDHN NC(=O)[C@@H]1CCCC[C@H]1NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000130787862 401838737 /nfs/dbraw/zinc/83/87/37/401838737.db2.gz NXVSMHXVRSXHKP-VXGBXAGGSA-N 0 3 311.769 2.382 20 5 DEBDHN COc1ccc(OCCN2CCC[C@H]([C@@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000089932061 401974054 /nfs/dbraw/zinc/97/40/54/401974054.db2.gz SEBIZOSXZULBGC-OLZOCXBDSA-N 0 3 324.377 2.075 20 5 DEBDHN CCOc1ccc([C@@H](C)NCC[C@@H](O)COC)cc1[N+](=O)[O-] ZINC000090950721 401989219 /nfs/dbraw/zinc/98/92/19/401989219.db2.gz AYYRGOBDHJMZHS-DGCLKSJQSA-N 0 3 312.366 2.042 20 5 DEBDHN Cc1cc(C(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)cc([N+](=O)[O-])c1 ZINC000119344417 401942999 /nfs/dbraw/zinc/94/29/99/401942999.db2.gz CXKFRQAPUHIDLS-CJNGLKHVSA-N 0 3 317.389 2.460 20 5 DEBDHN O=[N+]([O-])c1ccc(OCCN2CCS[C@H]3COCC[C@@H]32)cc1 ZINC000135565005 401945573 /nfs/dbraw/zinc/94/55/73/401945573.db2.gz NQNMTQWGENPDJJ-GJZGRUSLSA-N 0 3 324.402 2.180 20 5 DEBDHN COCCOCCCNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000152037914 402072393 /nfs/dbraw/zinc/07/23/93/402072393.db2.gz WPGAHYNMDBZQII-UHFFFAOYSA-N 0 3 302.758 2.391 20 5 DEBDHN CC1CCN(CCNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000057004844 402092080 /nfs/dbraw/zinc/09/20/80/402092080.db2.gz FEYXQNUMVRMCRV-UHFFFAOYSA-N 0 3 320.393 2.126 20 5 DEBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)Cn1cccn1 ZINC000067458550 402159713 /nfs/dbraw/zinc/15/97/13/402159713.db2.gz DGSMKHMKUSRSNP-MRXNPFEDSA-N 0 3 318.377 2.063 20 5 DEBDHN O=C(N[C@H]1CCN(C2CC2)C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000067863211 402176501 /nfs/dbraw/zinc/17/65/01/402176501.db2.gz OICMMFPCJOQOGO-NSHDSACASA-N 0 3 314.345 2.043 20 5 DEBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000106785574 402216057 /nfs/dbraw/zinc/21/60/57/402216057.db2.gz VZDFMQMSNMAJCS-LBPRGKRZSA-N 0 3 318.377 2.045 20 5 DEBDHN CN1CCC[C@@H](CNC(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000108332997 402250904 /nfs/dbraw/zinc/25/09/04/402250904.db2.gz CESCYOOMGOAEKW-XEHSLEBBSA-N 0 3 303.362 2.066 20 5 DEBDHN COc1ccc([C@H](C)N(C)CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000176202801 402290189 /nfs/dbraw/zinc/29/01/89/402290189.db2.gz LKNXIGDHIVOTFP-LBPRGKRZSA-N 0 3 304.350 2.493 20 5 DEBDHN CCOC(=O)N1CC[C@@H](NCc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000185770078 402375483 /nfs/dbraw/zinc/37/54/83/402375483.db2.gz OTHOVEQOODUOOL-CYBMUJFWSA-N 0 3 307.350 2.224 20 5 DEBDHN Cc1ccc(CNCCCCCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000185208232 402334005 /nfs/dbraw/zinc/33/40/05/402334005.db2.gz SSNWTNDYDJVLES-UHFFFAOYSA-N 0 3 314.407 2.208 20 5 DEBDHN Cc1c(C(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000247322599 402563636 /nfs/dbraw/zinc/56/36/36/402563636.db2.gz IEBFBVKYRNIUBC-BXUZGUMPSA-N 0 3 305.378 2.315 20 5 DEBDHN Cc1ccc([C@@H](C)NCCN2CCOC[C@@H]2C)cc1[N+](=O)[O-] ZINC000178660065 402522839 /nfs/dbraw/zinc/52/28/39/402522839.db2.gz AFQHGKTWZJDCJS-UONOGXRCSA-N 0 3 307.394 2.275 20 5 DEBDHN CN(CC1CCN(C)CC1)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000171736364 402616873 /nfs/dbraw/zinc/61/68/73/402616873.db2.gz UUWFEEKMDQFQIV-UHFFFAOYSA-N 0 3 320.393 2.078 20 5 DEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCCN(C)CC1 ZINC000180700774 402623983 /nfs/dbraw/zinc/62/39/83/402623983.db2.gz MEMHSIRJXJGFOM-UHFFFAOYSA-N 0 3 306.366 2.381 20 5 DEBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000252179809 402653040 /nfs/dbraw/zinc/65/30/40/402653040.db2.gz PTXZAWQDAOETLI-RYUDHWBXSA-N 0 3 320.393 2.027 20 5 DEBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000254929953 402672394 /nfs/dbraw/zinc/67/23/94/402672394.db2.gz CSURDDIFFYMOMD-XHTKRDSESA-N 0 3 317.389 2.407 20 5 DEBDHN CSc1ccc(C(=O)N(C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000192974868 402759277 /nfs/dbraw/zinc/75/92/77/402759277.db2.gz DKMVLBWDTVGRPQ-UHFFFAOYSA-N 0 3 323.418 2.483 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@@H](O)C1CCOCC1)CCC2 ZINC000278854471 402878343 /nfs/dbraw/zinc/87/83/43/402878343.db2.gz VVXOAVPBSJFSSP-DLBZAZTESA-N 0 3 320.389 2.349 20 5 DEBDHN C[C@H](CN1CCOCC1)N(C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000279474205 402946703 /nfs/dbraw/zinc/94/67/03/402946703.db2.gz SONKRMLELITDRI-KEDPEKRHSA-N 0 3 319.405 2.261 20 5 DEBDHN C[C@@H]1CCC[C@H]1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000279160792 402911129 /nfs/dbraw/zinc/91/11/29/402911129.db2.gz BELQJWHBGNLYRZ-BXUZGUMPSA-N 0 3 303.362 2.262 20 5 DEBDHN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000266744478 402987966 /nfs/dbraw/zinc/98/79/66/402987966.db2.gz RBLXUFFSJQPRIM-ZDUSSCGKSA-N 0 3 321.377 2.424 20 5 DEBDHN O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCN2CCC[C@H]2C1 ZINC000273342352 402996366 /nfs/dbraw/zinc/99/63/66/402996366.db2.gz ATQHMYJSUWRFRY-NSHDSACASA-N 0 3 308.313 2.046 20 5 DEBDHN C[C@H]1CCC[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273487894 403008992 /nfs/dbraw/zinc/00/89/92/403008992.db2.gz WCGJMERMZGDVHE-FZMZJTMJSA-N 0 3 312.391 2.147 20 5 DEBDHN CNC(=O)[C@@]1(C)CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000280713665 403029287 /nfs/dbraw/zinc/02/92/87/403029287.db2.gz HQCMSAVPJPHWIT-WBMJQRKESA-N 0 3 305.378 2.422 20 5 DEBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000268243961 403066162 /nfs/dbraw/zinc/06/61/62/403066162.db2.gz VNRDMKFWBOACJM-XPTSAGLGSA-N 0 3 323.780 2.461 20 5 DEBDHN Cc1cc([N+](=O)[O-])ccc1N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000275633595 403110894 /nfs/dbraw/zinc/11/08/94/403110894.db2.gz VYRVXVXPIXNJDY-CYBMUJFWSA-N 0 3 307.394 2.185 20 5 DEBDHN CN(C)C1(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000275967319 403136277 /nfs/dbraw/zinc/13/62/77/403136277.db2.gz LFMRCNZESNTEGA-UHFFFAOYSA-N 0 3 311.769 2.462 20 5 DEBDHN CC1(C)[C@H](C(F)(F)F)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000276132094 403147757 /nfs/dbraw/zinc/14/77/57/403147757.db2.gz CZBQXSOLACZRAT-SNVBAGLBSA-N 0 3 306.288 2.454 20 5 DEBDHN Cc1cc([N+](=O)[O-])cnc1NCCCN1CCCO[C@@H](C)C1 ZINC000277301588 403202905 /nfs/dbraw/zinc/20/29/05/403202905.db2.gz AVTIZIIAIKODCS-ZDUSSCGKSA-N 0 3 308.382 2.211 20 5 DEBDHN CCN(CC(C)(C)O)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000270755623 403220875 /nfs/dbraw/zinc/22/08/75/403220875.db2.gz VSTAQADUFYSIQQ-LBPRGKRZSA-N 0 3 323.393 2.323 20 5 DEBDHN C[C@@]12CCN(CCn3ccc([N+](=O)[O-])n3)C[C@@H]1C2(Cl)Cl ZINC000283950435 403234377 /nfs/dbraw/zinc/23/43/77/403234377.db2.gz ANZSIRYEZIGNOS-GXSJLCMTSA-N 0 3 319.192 2.307 20 5 DEBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@H]1CC(=O)N(C)C1 ZINC000271178358 403273882 /nfs/dbraw/zinc/27/38/82/403273882.db2.gz VJRZGBXUEFZISO-RYUDHWBXSA-N 0 3 323.418 2.286 20 5 DEBDHN COc1cc(CN[C@H]2CCO[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000271218844 403281122 /nfs/dbraw/zinc/28/11/22/403281122.db2.gz FOBYFOYPGGWNKD-PWSUYJOCSA-N 0 3 310.350 2.269 20 5 DEBDHN CCN1CCC[C@@H]1CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000298087830 403318512 /nfs/dbraw/zinc/31/85/12/403318512.db2.gz OSMXJQNBLATFGU-GFCCVEGCSA-N 0 3 316.361 2.290 20 5 DEBDHN CC(C)[C@H](NCCc1ccc([N+](=O)[O-])cc1)c1nncn1C ZINC000285525237 403319286 /nfs/dbraw/zinc/31/92/86/403319286.db2.gz ZNZBAQLTXSZPIJ-AWEZNQCLSA-N 0 3 303.366 2.253 20 5 DEBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000285741767 403369955 /nfs/dbraw/zinc/36/99/55/403369955.db2.gz JLELECHNJLEVHF-IUODEOHRSA-N 0 3 303.362 2.294 20 5 DEBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C)C1 ZINC000298491359 403394462 /nfs/dbraw/zinc/39/44/62/403394462.db2.gz CRBGDDBVOXJSOK-CHWSQXEVSA-N 0 3 305.378 2.445 20 5 DEBDHN Cc1c(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cnn1C ZINC000331593490 403426297 /nfs/dbraw/zinc/42/62/97/403426297.db2.gz KYSQIDBBMWCZTP-KGLIPLIRSA-N 0 3 318.381 2.107 20 5 DEBDHN N[C@@H](CC(F)F)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000345684251 403435467 /nfs/dbraw/zinc/43/54/67/403435467.db2.gz CWDVWMYCUGSHSQ-LBPRGKRZSA-N 0 3 315.320 2.016 20 5 DEBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C)CN2CCCCC2)n1 ZINC000286046176 403437373 /nfs/dbraw/zinc/43/73/73/403437373.db2.gz HNGNZNQQEVBWQI-NSHDSACASA-N 0 3 322.365 2.063 20 5 DEBDHN Cc1ccc([C@H](C)NC(=O)[C@H](N)CC(F)F)cc1[N+](=O)[O-] ZINC000345698444 403442332 /nfs/dbraw/zinc/44/23/32/403442332.db2.gz SOIJEYSRROBTKF-WCBMZHEXSA-N 0 3 301.293 2.063 20 5 DEBDHN O=[N+]([O-])c1cccc(CN[C@H](C2CC2)[C@@]2(CO)CCCO2)c1 ZINC000339770660 403444220 /nfs/dbraw/zinc/44/42/20/403444220.db2.gz XJRLNMYUOLCNIS-CVEARBPZSA-N 0 3 306.362 2.005 20 5 DEBDHN COC(=O)CC1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000343313499 403535108 /nfs/dbraw/zinc/53/51/08/403535108.db2.gz JBTAIJLTBCAUPR-UHFFFAOYSA-N 0 3 322.361 2.249 20 5 DEBDHN CCN1CCC[C@H](NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000332339249 403554446 /nfs/dbraw/zinc/55/44/46/403554446.db2.gz RWXNNYXUCIIYEN-NSHDSACASA-N 0 3 316.361 2.290 20 5 DEBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000299076064 403515213 /nfs/dbraw/zinc/51/52/13/403515213.db2.gz HTCANWJGSDNJLE-KBPBESRZSA-N 0 3 319.405 2.374 20 5 DEBDHN O=c1[nH]cnc2cc(NCCN3CCCCC3)c([N+](=O)[O-])cc21 ZINC000301072137 403586526 /nfs/dbraw/zinc/58/65/26/403586526.db2.gz GBAZACCUEICYCS-UHFFFAOYSA-N 0 3 317.349 2.141 20 5 DEBDHN CNC(=O)c1ccc(N[C@H](C)CN2CCCCC2)c([N+](=O)[O-])c1 ZINC000301104227 403590622 /nfs/dbraw/zinc/59/06/22/403590622.db2.gz SELNPYGAVURCSV-GFCCVEGCSA-N 0 3 320.393 2.241 20 5 DEBDHN C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000287244708 403558328 /nfs/dbraw/zinc/55/83/28/403558328.db2.gz RGQIRNMPHJVUJI-QWRGUYRKSA-N 0 3 309.391 2.355 20 5 DEBDHN CCCN(CCN1CCCC1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000287338468 403577993 /nfs/dbraw/zinc/57/79/93/403577993.db2.gz MXGAUYJYXMXXQK-UHFFFAOYSA-N 0 3 320.393 2.125 20 5 DEBDHN Cc1nn(C)c(N2CCN(C3CCC(C)CC3)CC2)c1[N+](=O)[O-] ZINC000301308321 403614556 /nfs/dbraw/zinc/61/45/56/403614556.db2.gz WNRTZQIJKIIPAK-UHFFFAOYSA-N 0 3 321.425 2.337 20 5 DEBDHN CCN1CCCC[C@H]1CNc1ccc([N+](=O)[O-])cc1C(=O)NC ZINC000301557774 403647584 /nfs/dbraw/zinc/64/75/84/403647584.db2.gz SUCZQGFQESMISQ-ZDUSSCGKSA-N 0 3 320.393 2.241 20 5 DEBDHN CN1CCC[C@@]2(CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000294157565 403661110 /nfs/dbraw/zinc/66/11/10/403661110.db2.gz NUBSXOZFVOKQKC-QGZVFWFLSA-N 0 3 317.389 2.082 20 5 DEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(OCCO)CC1 ZINC000347353740 403676838 /nfs/dbraw/zinc/67/68/38/403676838.db2.gz GZTLQXVCJQDFOP-KAMYIIQDSA-N 0 3 320.389 2.471 20 5 DEBDHN CNC(=O)[C@H]1CCCN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000347369494 403682847 /nfs/dbraw/zinc/68/28/47/403682847.db2.gz OFGALTJNXPGPDG-GLNPCMGASA-N 0 3 317.389 2.456 20 5 DEBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@H]1CC[C@@H](CO)O1)CCC2 ZINC000294364643 403714959 /nfs/dbraw/zinc/71/49/59/403714959.db2.gz QPVOUUKCJJMFKU-IJEWVQPXSA-N 0 3 306.362 2.102 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000295289134 403833560 /nfs/dbraw/zinc/83/35/60/403833560.db2.gz IMAOKJXHBHSRBD-GFCCVEGCSA-N 0 3 317.389 2.460 20 5 DEBDHN O=[N+]([O-])c1cccc(CNC[C@H](O)Cc2cccc(F)c2)c1 ZINC000295188055 403789459 /nfs/dbraw/zinc/78/94/59/403789459.db2.gz WUPIEODTJDAKDQ-MRXNPFEDSA-N 0 3 304.321 2.427 20 5 DEBDHN O=[N+]([O-])c1cccc(CNC[C@@H](O)Cc2cccc(F)c2)c1 ZINC000295188054 403789969 /nfs/dbraw/zinc/78/99/69/403789969.db2.gz WUPIEODTJDAKDQ-INIZCTEOSA-N 0 3 304.321 2.427 20 5 DEBDHN COC[C@H](NCCn1ccc([N+](=O)[O-])n1)c1cccc(Cl)c1 ZINC000288977082 403803362 /nfs/dbraw/zinc/80/33/62/403803362.db2.gz ZADBPUYDJLJKQG-ZDUSSCGKSA-N 0 3 324.768 2.422 20 5 DEBDHN COC[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1cccc(Cl)c1 ZINC000288977078 403803387 /nfs/dbraw/zinc/80/33/87/403803387.db2.gz ZADBPUYDJLJKQG-CYBMUJFWSA-N 0 3 324.768 2.422 20 5 DEBDHN C[C@H]1CN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1C ZINC000362446999 403956341 /nfs/dbraw/zinc/95/63/41/403956341.db2.gz JNYWQSPRKJKLJS-ZOWXZIJZSA-N 0 3 303.362 2.288 20 5 DEBDHN CCN(CCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000411865347 403998798 /nfs/dbraw/zinc/99/87/98/403998798.db2.gz FUKYCQFICVLRAG-JKSUJKDBSA-N 0 3 317.389 2.299 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@H](C(=O)N(C)C)C1 ZINC000411936287 404022162 /nfs/dbraw/zinc/02/21/62/404022162.db2.gz FLCXYIPOXGKWBV-OLZOCXBDSA-N 0 3 305.378 2.374 20 5 DEBDHN COC1([C@@H](C)NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCC1 ZINC000412020821 404059958 /nfs/dbraw/zinc/05/99/58/404059958.db2.gz KEXATWRNFFSUHP-GFCCVEGCSA-N 0 3 321.377 2.389 20 5 DEBDHN CC(C)C[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)N(C)C ZINC000344435960 404136590 /nfs/dbraw/zinc/13/65/90/404136590.db2.gz FCPCQPCJDLRKRU-CQSZACIVSA-N 0 3 311.357 2.440 20 5 DEBDHN COC[C@]1(C(=O)OC)CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000296313257 404191455 /nfs/dbraw/zinc/19/14/55/404191455.db2.gz OHOSQTGHAOZOEJ-LRDDRELGSA-N 0 3 322.361 2.167 20 5 DEBDHN COC[C@@]1(C(=O)OC)CCN([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000296313258 404191659 /nfs/dbraw/zinc/19/16/59/404191659.db2.gz OHOSQTGHAOZOEJ-MLGOLLRUSA-N 0 3 322.361 2.167 20 5 DEBDHN CN(C)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])n2C)c(F)c1 ZINC000412546274 404343161 /nfs/dbraw/zinc/34/31/61/404343161.db2.gz JLIUAPNMXZMUID-UHFFFAOYSA-N 0 3 320.324 2.386 20 5 DEBDHN C[C@H](C(=O)N(CCN(C)C)C1CC1)c1ccc([N+](=O)[O-])cc1F ZINC000356296922 404431453 /nfs/dbraw/zinc/43/14/53/404431453.db2.gz MPWDHVQWTPAYCY-NSHDSACASA-N 0 3 323.368 2.390 20 5 DEBDHN Cc1c([C@@H](C)N[C@H]2CCCN(CCCO)C2)cccc1[N+](=O)[O-] ZINC000297267858 404526944 /nfs/dbraw/zinc/52/69/44/404526944.db2.gz KMIWPXHHLKZCDZ-CABCVRRESA-N 0 3 321.421 2.401 20 5 DEBDHN C[C@H](CC(N)=O)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000344898594 404433514 /nfs/dbraw/zinc/43/35/14/404433514.db2.gz RRHRATQNPYUYAJ-SNVBAGLBSA-N 0 3 303.318 2.208 20 5 DEBDHN CCCCN(C)CCNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000352673313 404537189 /nfs/dbraw/zinc/53/71/89/404537189.db2.gz DLTPNZJISFNWMU-UHFFFAOYSA-N 0 3 308.382 2.126 20 5 DEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[C@H](C(=O)N(C)C)C1 ZINC000414498589 404658835 /nfs/dbraw/zinc/65/88/35/404658835.db2.gz NCHKXAAHUZERMW-GLNPCMGASA-N 0 3 317.389 2.408 20 5 DEBDHN CCN1C[C@@H](C)N(CCOc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000330586788 404694159 /nfs/dbraw/zinc/69/41/59/404694159.db2.gz SRIMFUJZZMMQNN-ZIAGYGMSSA-N 0 3 307.394 2.388 20 5 DEBDHN Cc1ccc(NC(=O)NC[C@H]2NC(C)(C)O[C@H]2C)cc1[N+](=O)[O-] ZINC000414662401 404703755 /nfs/dbraw/zinc/70/37/55/404703755.db2.gz RGHOVDHDVKTHSE-CMPLNLGQSA-N 0 3 322.365 2.138 20 5 DEBDHN CC(C)(C)[C@H]1NC(=O)CC[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000353145663 404754013 /nfs/dbraw/zinc/75/40/13/404754013.db2.gz WWJAWMKGWPUFDI-ZFWWWQNUSA-N 0 3 305.378 2.378 20 5 DEBDHN Cc1cc(NC(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)ccc1[N+](=O)[O-] ZINC000415419509 404860650 /nfs/dbraw/zinc/86/06/50/404860650.db2.gz QLELPERNRUBULQ-ZYHUDNBSSA-N 0 3 322.365 2.138 20 5 DEBDHN O=C1C[C@]2(CN1)CCCN(C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000353747356 404954590 /nfs/dbraw/zinc/95/45/90/404954590.db2.gz AAMXDLJGAYVQLW-SVEBXFOSSA-N 0 3 315.373 2.210 20 5 DEBDHN CCc1ccccc1[C@@H](N)CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000423973830 404954684 /nfs/dbraw/zinc/95/46/84/404954684.db2.gz KIMHAVOYLRPPJM-LBPRGKRZSA-N 0 3 303.318 2.180 20 5 DEBDHN CCN1CCCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1NC ZINC000361222271 404981131 /nfs/dbraw/zinc/98/11/31/404981131.db2.gz WTFFDNKKUPCDOH-LBPRGKRZSA-N 0 3 320.393 2.241 20 5 DEBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(N(C)C)CC1 ZINC000416309024 405099007 /nfs/dbraw/zinc/09/90/07/405099007.db2.gz UATGAGYMRFLMKX-CQSZACIVSA-N 0 3 319.405 2.374 20 5 DEBDHN Cc1c(CNC[C@H](O)COc2ccccc2)cccc1[N+](=O)[O-] ZINC000391214311 405048694 /nfs/dbraw/zinc/04/86/94/405048694.db2.gz RJPTWOURXDCHKR-HNNXBMFYSA-N 0 3 316.357 2.433 20 5 DEBDHN CN1CC[C@@H]2CN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000453016669 405274554 /nfs/dbraw/zinc/27/45/54/405274554.db2.gz WQRSBSZIBHLATB-DOMZBBRYSA-N 0 3 317.389 2.035 20 5 DEBDHN CC[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000439468591 405280304 /nfs/dbraw/zinc/28/03/04/405280304.db2.gz LMSWWKAWUJAKHH-OAHLLOKOSA-N 0 3 321.377 2.424 20 5 DEBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NC(C)(C)CN(C)C ZINC000454141467 405301788 /nfs/dbraw/zinc/30/17/88/405301788.db2.gz XJLAYSJZGBURIB-UHFFFAOYSA-N 0 3 310.354 2.065 20 5 DEBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC(C)(C)CN(C)C ZINC000455365993 405401232 /nfs/dbraw/zinc/40/12/32/405401232.db2.gz XKEHCOLDDFXJAF-UHFFFAOYSA-N 0 3 324.381 2.455 20 5 DEBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N(CCN(C)C)CC(C)C ZINC000427468672 405407338 /nfs/dbraw/zinc/40/73/38/405407338.db2.gz GAICKZZOZBRGJF-UHFFFAOYSA-N 0 3 323.393 2.263 20 5 DEBDHN Cc1c(NC(=O)N(C)C[C@@H]2CCCN2C)cccc1[N+](=O)[O-] ZINC000421033768 405437219 /nfs/dbraw/zinc/43/72/19/405437219.db2.gz AZUSFFPPYIOCEC-LBPRGKRZSA-N 0 3 306.366 2.461 20 5 DEBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)C[C@H]1CCCN1C ZINC000421714555 405611355 /nfs/dbraw/zinc/61/13/55/405611355.db2.gz VTLWJRUNPFILFK-GFCCVEGCSA-N 0 3 321.377 2.160 20 5 DEBDHN CSc1ccc(C(=O)N(CCN(C)C)C2CC2)cc1[N+](=O)[O-] ZINC000431372457 405614004 /nfs/dbraw/zinc/61/40/04/405614004.db2.gz GURCZIUBRRGGKV-UHFFFAOYSA-N 0 3 323.418 2.483 20 5 DEBDHN CO[C@@H]1COCC[C@@H]1CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000449463010 405572224 /nfs/dbraw/zinc/57/22/24/405572224.db2.gz VVTZHLPKTRDWAS-BXUZGUMPSA-N 0 3 314.769 2.389 20 5 DEBDHN CN(C[C@H]1CCCN1C)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000493836593 405583715 /nfs/dbraw/zinc/58/37/15/405583715.db2.gz MVGXDIMJLRKBOZ-XVJNWHFHSA-N 0 3 303.362 2.161 20 5 DEBDHN COc1ccc(C(=O)NC(C)(C)CN2CCCC2)cc1[N+](=O)[O-] ZINC000457042299 405667617 /nfs/dbraw/zinc/66/76/17/405667617.db2.gz VZDCYKNVCMNLTN-UHFFFAOYSA-N 0 3 321.377 2.208 20 5 DEBDHN CC(C)N1CC[C@@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000457093651 405695109 /nfs/dbraw/zinc/69/51/09/405695109.db2.gz YLPOKNGRFRFGCT-OAHLLOKOSA-N 0 3 305.378 2.078 20 5 DEBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@H]2CCC[C@H]2CO)c1 ZINC000449705860 405703460 /nfs/dbraw/zinc/70/34/60/405703460.db2.gz LJJUCSOYGNSWCR-CABZTGNLSA-N 0 3 316.304 2.447 20 5 DEBDHN CN(CCOc1ccccc1Cl)CCn1cc([N+](=O)[O-])cn1 ZINC000471721457 406112224 /nfs/dbraw/zinc/11/22/24/406112224.db2.gz UYTCBHZODGJBRD-UHFFFAOYSA-N 0 3 324.768 2.456 20 5 DEBDHN C[C@H]1CCN(C)CCN1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000491886497 406764034 /nfs/dbraw/zinc/76/40/34/406764034.db2.gz OQLUZRGRISWGIO-WSROAFLRSA-N 0 3 303.362 2.161 20 5 DEBDHN C[C@@H](CNC[C@H](O)COc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000569716535 292437565 /nfs/dbraw/zinc/43/75/65/292437565.db2.gz OYJAWVPWUNLXAF-UWVGGRQHSA-N 0 3 322.283 2.123 20 5 DEBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@@H]1CCCN(CCCO)C1 ZINC000570648739 292496679 /nfs/dbraw/zinc/49/66/79/292496679.db2.gz LROPBIVWNFJZDC-CJNGLKHVSA-N 0 3 319.405 2.019 20 5 DEBDHN O=C(CN[C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])NC1CC1 ZINC000297466527 227204975 /nfs/dbraw/zinc/20/49/75/227204975.db2.gz QSQRADFISIUFBO-DOMZBBRYSA-N 0 3 317.389 2.174 20 5 DEBDHN CC[NH+](CC)[C@H](C)C[N-]c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000359872421 424834461 /nfs/dbraw/zinc/83/44/61/424834461.db2.gz ICZZTIAMDKQXAA-LLVKDONJSA-N 0 3 319.365 2.787 20 5 DEBDHN CC(C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000340348153 424947024 /nfs/dbraw/zinc/94/70/24/424947024.db2.gz BOHPWYKIRNUHLH-RXMQYKEDSA-N 0 3 302.212 2.608 20 5 DEBDHN C[C@H](CN(C)C)Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000343811738 424983511 /nfs/dbraw/zinc/98/35/11/424983511.db2.gz UVYXWSUHHHXNOI-GFCCVEGCSA-N 0 3 300.362 3.019 20 5 DEBDHN O=[N+]([O-])c1cc2ccccc2nc1NCCN1CCCCC1 ZINC000352356251 425045526 /nfs/dbraw/zinc/04/55/26/425045526.db2.gz LHCADQFCZLXDBT-UHFFFAOYSA-N 0 3 300.362 3.041 20 5 DEBDHN C[C@H]1[C@H](Nc2nccc3cc([N+](=O)[O-])ccc32)CCCN1C ZINC000450443751 425073543 /nfs/dbraw/zinc/07/35/43/425073543.db2.gz VXNOJAUDPNXRCB-XHDPSFHLSA-N 0 3 300.362 3.038 20 5 DEBDHN Cc1nc2n(n1)C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000105934394 267410449 /nfs/dbraw/zinc/41/04/49/267410449.db2.gz ORTFKOKOUAWSRX-GWCFXTLKSA-N 0 3 301.350 2.160 20 5 DEBDHN CCN1CCC[C@@H]1CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000514770956 269331039 /nfs/dbraw/zinc/33/10/39/269331039.db2.gz RCHSGAVFAFRDHM-SWLSCSKDSA-N 0 3 305.378 2.299 20 5 DEBDHN CCC1(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000516644589 269366548 /nfs/dbraw/zinc/36/65/48/269366548.db2.gz ADKUSNVEVJLWMC-UHFFFAOYSA-N 0 3 312.391 2.148 20 5 DEBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCCN(C)C1CC1 ZINC000341847991 274000797 /nfs/dbraw/zinc/00/07/97/274000797.db2.gz UFZPOILHLIVIAI-UHFFFAOYSA-N 0 3 307.350 2.196 20 5 DEBDHN CS[C@H]1CN(c2ncc([N+](=O)[O-])cc2C)C[C@@H]1N1CCCC1 ZINC000274691158 274187539 /nfs/dbraw/zinc/18/75/39/274187539.db2.gz QNPVJHPBSVAHLP-KBPBESRZSA-N 0 3 322.434 2.314 20 5 DEBDHN O=[N+]([O-])c1ccc(N2CCN(CC[C@@H]3CCCO3)CC2)cc1 ZINC000188604667 275036171 /nfs/dbraw/zinc/03/61/71/275036171.db2.gz GCIPAADNUYYXRG-INIZCTEOSA-N 0 3 305.378 2.286 20 5 DEBDHN C[C@@H](CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N(C)C ZINC000294465199 278281278 /nfs/dbraw/zinc/28/12/78/278281278.db2.gz SLLHJYQJDDOMJM-QMMMGPOBSA-N 0 3 319.283 2.294 20 5 DEBDHN C[C@@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000180929799 278281342 /nfs/dbraw/zinc/28/13/42/278281342.db2.gz XBGVTAFRVJUZTD-RYUDHWBXSA-N 0 3 320.393 2.027 20 5 DEBDHN C[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000299082145 278282009 /nfs/dbraw/zinc/28/20/09/278282009.db2.gz XRMPOIGEPPGRMV-OLZOCXBDSA-N 0 3 305.378 2.445 20 5 DEBDHN C[C@@H](NC[C@H]1CCCS(=O)(=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000287041401 278354531 /nfs/dbraw/zinc/35/45/31/278354531.db2.gz MIBLFNZXIBXXDR-VXGBXAGGSA-N 0 3 312.391 2.070 20 5 DEBDHN C[C@@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])CCN1 ZINC000052783355 278800739 /nfs/dbraw/zinc/80/07/39/278800739.db2.gz RZQRPMHSBZJORN-MRVPVSSYSA-N 0 3 300.156 2.155 20 5 DEBDHN COc1ccc(C)cc1[C@H](C)NCCn1ccc([N+](=O)[O-])n1 ZINC000271727451 295109408 /nfs/dbraw/zinc/10/94/08/295109408.db2.gz XXBXAKKUBAYFBH-LBPRGKRZSA-N 0 3 304.350 2.459 20 5 DEBDHN C[C@@H](C(=O)N(CCN(C)C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000573234608 326036297 /nfs/dbraw/zinc/03/62/97/326036297.db2.gz TZUWTTXXYMXAAW-GFCCVEGCSA-N 0 3 305.378 2.251 20 5 DEBDHN C[C@H](C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000573744979 326088464 /nfs/dbraw/zinc/08/84/64/326088464.db2.gz WGNOWWYVCFZUKK-MBNYWOFBSA-N 0 3 317.389 2.440 20 5 DEBDHN O=[N+]([O-])c1cccc(N2CCN(C[C@H]3CCCC[C@H]3O)CC2)c1 ZINC000575119759 326220629 /nfs/dbraw/zinc/22/06/29/326220629.db2.gz JDWSNYQHTLSJCC-RHSMWYFYSA-N 0 3 319.405 2.268 20 5 DEBDHN C[C@@H](C(=O)N(C)C[C@H]1CCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000575800959 326246523 /nfs/dbraw/zinc/24/65/23/326246523.db2.gz WFFVNWHAMKBLFH-KGLIPLIRSA-N 0 3 319.405 2.499 20 5 DEBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@@H](N2CCCC2)C1 ZINC000360950136 517874335 /nfs/dbraw/zinc/87/43/35/517874335.db2.gz YEEMOBNBNMQPPT-CYBMUJFWSA-N 0 3 307.398 2.184 20 5 DEBDHN CCCC[C@H](N)C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000154495795 521205769 /nfs/dbraw/zinc/20/57/69/521205769.db2.gz LLHDFOXCAYFWIK-ZDUSSCGKSA-N 0 3 322.409 2.339 20 5 DEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@@H](OCCO)C1 ZINC000245532575 526088898 /nfs/dbraw/zinc/08/88/98/526088898.db2.gz UTPCDWADBTYUKH-DZGCQCFKSA-N 0 3 308.378 2.438 20 5 DEBDHN CCC[C@H](C)C(=O)NCCNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000292787482 528013986 /nfs/dbraw/zinc/01/39/86/528013986.db2.gz UPRLYDWABGWKOJ-LBPRGKRZSA-N 0 3 323.393 2.245 20 5 DEBDHN CCOc1ccc([C@H](C)N[C@H](C)CC(=O)NC)cc1[N+](=O)[O-] ZINC000453370267 535420724 /nfs/dbraw/zinc/42/07/24/535420724.db2.gz NGAYOACXVNCSAN-MNOVXSKESA-N 0 3 309.366 2.169 20 5 DEBDHN CN1CCC[C@]2(CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C2)C1 ZINC000356248770 536394617 /nfs/dbraw/zinc/39/46/17/536394617.db2.gz CMADWDGWVCNXGO-INIZCTEOSA-N 0 3 321.352 2.292 20 5 DEBDHN CN1CC[C@@H]2CN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)C[C@@H]21 ZINC000450780150 536468384 /nfs/dbraw/zinc/46/83/84/536468384.db2.gz PJAQNTSMUJLCNR-SKDRFNHKSA-N 0 3 313.304 2.337 20 5 DEBDHN O=C1CCCN1CCCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000892445982 625669068 /nfs/dbraw/zinc/66/90/68/625669068.db2.gz BAWNQENFXUKKOA-UHFFFAOYSA-N 0 3 311.769 2.350 20 5 DEBDHN CCN1C[C@@H](C)N(Cc2ccc(O)c(OC)c2[N+](=O)[O-])C[C@@H]1C ZINC000892085235 624775459 /nfs/dbraw/zinc/77/54/59/624775459.db2.gz KYKKRTGJHXZCQQ-NWDGAFQWSA-N 0 3 323.393 2.224 20 5 DEBDHN Cn1ncc([N+](=O)[O-])c1N1CCN(CC2CCCCC2)CC1 ZINC000892083104 624776299 /nfs/dbraw/zinc/77/62/99/624776299.db2.gz DETMEGPAGNLVAT-UHFFFAOYSA-N 0 3 307.398 2.031 20 5 DEBDHN C[C@@H](NC(=O)N(C)[C@@H]1CCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000892113116 624785346 /nfs/dbraw/zinc/78/53/46/624785346.db2.gz WKNVDKROMGIKIX-IUODEOHRSA-N 0 3 320.393 2.391 20 5 DEBDHN COc1c([O-])ccc(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000892145826 624795924 /nfs/dbraw/zinc/79/59/24/624795924.db2.gz SZDXZHZCEVZORA-DGCLKSJQSA-N 0 3 322.361 2.167 20 5 DEBDHN COc1c([O-])ccc(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000892145826 624795925 /nfs/dbraw/zinc/79/59/25/624795925.db2.gz SZDXZHZCEVZORA-DGCLKSJQSA-N 0 3 322.361 2.167 20 5 DEBDHN COc1c([O-])ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c1[N+](=O)[O-] ZINC000893036550 625068782 /nfs/dbraw/zinc/06/87/82/625068782.db2.gz IOJRSJYLMSMZCX-VQISRLSMSA-N 0 3 322.361 2.212 20 5 DEBDHN COc1c(O)ccc(CNCCc2csc(C)n2)c1[N+](=O)[O-] ZINC000892534531 625113040 /nfs/dbraw/zinc/11/30/40/625113040.db2.gz NLUWVDCKMUXTCP-UHFFFAOYSA-N 0 3 323.374 2.406 20 5 DEBDHN O=[N+]([O-])c1cc(Cl)ccc1CNCC1(CO)CCOCC1 ZINC000893192605 625217299 /nfs/dbraw/zinc/21/72/99/625217299.db2.gz YCKYNRGTFINGNP-UHFFFAOYSA-N 0 3 314.769 2.127 20 5 DEBDHN COC[C@@H](C[NH2+]Cc1cc(OC)c([O-])cc1[N+](=O)[O-])C(C)C ZINC000922949329 636878949 /nfs/dbraw/zinc/87/89/49/636878949.db2.gz DUIHCAIRBFTSKM-GFCCVEGCSA-N 0 3 312.366 2.317 20 5 DEBDHN CC(C)c1ccc(CNC[C@H](O)c2ccnn2C)cc1[N+](=O)[O-] ZINC000922972736 636892232 /nfs/dbraw/zinc/89/22/32/636892232.db2.gz KHYLMDYYOJZYHM-INIZCTEOSA-N 0 3 318.377 2.275 20 5 DEBDHN Cn1nnc2c1CC[C@H](NCc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000895210030 637798405 /nfs/dbraw/zinc/79/84/05/637798405.db2.gz GITYONOJBWTRSC-NSHDSACASA-N 0 3 321.768 2.024 20 5 DEBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2C[C@H]3C[C@@]3(O)C2)o1 ZINC000895650983 638126042 /nfs/dbraw/zinc/12/60/42/638126042.db2.gz XXUXIGLTGZOGLP-BDJLRTHQSA-N 0 3 300.314 2.421 20 5 DEBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3C[C@@H]4C[C@]4(O)C3)o2)cc1 ZINC000895651229 638126255 /nfs/dbraw/zinc/12/62/55/638126255.db2.gz YTIGMFVJNCJYRL-LRDDRELGSA-N 0 3 300.314 2.421 20 5 DEBDHN C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](C)CN1 ZINC000841102403 650431430 /nfs/dbraw/zinc/43/14/30/650431430.db2.gz BPCDOOKPGAGRCA-IUCAKERBSA-N 0 3 312.757 2.462 20 5 DEBDHN COc1cc(C(=O)NC[C@@H](C)N2CCCCC2)ccc1[N+](=O)[O-] ZINC000751349445 639075221 /nfs/dbraw/zinc/07/52/21/639075221.db2.gz IRCULDLFGFAGME-GFCCVEGCSA-N 0 3 321.377 2.208 20 5 DEBDHN Cc1cc(N2CC[C@@H]3[C@@H]2CCCN3CCO)c(F)cc1[N+](=O)[O-] ZINC000897219575 639251409 /nfs/dbraw/zinc/25/14/09/639251409.db2.gz LLTFWXSOFQNLOO-KGLIPLIRSA-N 0 3 323.368 2.078 20 5 DEBDHN Cc1nn(C)cc1[C@H](C)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000754135176 639393668 /nfs/dbraw/zinc/39/36/68/639393668.db2.gz FSTQDWFCZLSFLZ-BONVTDFDSA-N 0 3 304.350 2.021 20 5 DEBDHN Cn1nnc2c1C[C@H](NCc1ccc(Cl)cc1[N+](=O)[O-])CC2 ZINC000897348993 639541168 /nfs/dbraw/zinc/54/11/68/639541168.db2.gz PYSYHDWXWUNYNU-LLVKDONJSA-N 0 3 321.768 2.024 20 5 DEBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000757541998 639846523 /nfs/dbraw/zinc/84/65/23/639846523.db2.gz JHWSNVCSXMNNDI-IINYFYTJSA-N 0 3 320.418 2.364 20 5 DEBDHN COCC1(C)CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000773727504 641816402 /nfs/dbraw/zinc/81/64/02/641816402.db2.gz MMUDUIVMVFKFSG-HNNXBMFYSA-N 0 3 308.378 2.377 20 5 DEBDHN COc1cc(CN2CCC[C@@H](C3OCCO3)C2)ccc1[N+](=O)[O-] ZINC000778942802 642448756 /nfs/dbraw/zinc/44/87/56/642448756.db2.gz LPKSDHZPIJTUPL-CYBMUJFWSA-N 0 3 322.361 2.188 20 5 DEBDHN COc1cc([C@@H](C)N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cc([N+](=O)[O-])c1 ZINC000903283754 643305512 /nfs/dbraw/zinc/30/55/12/643305512.db2.gz MRUVQSYYTDBJJN-GZIMCATPSA-N 0 3 304.346 2.430 20 5 DEBDHN O=[N+]([O-])CCN[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000905138861 643808436 /nfs/dbraw/zinc/80/84/36/643808436.db2.gz YWOCPMOFNNYIRD-LLVKDONJSA-N 0 3 315.320 2.123 20 5 DEBDHN CCN1C[C@@H](C)N(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C ZINC000792873400 644162540 /nfs/dbraw/zinc/16/25/40/644162540.db2.gz SKBUCDBFJYTHLF-NWDGAFQWSA-N 0 3 322.365 2.418 20 5 DEBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCOC[C@@H](C3CCC3)C2)cc1 ZINC000795288731 644547263 /nfs/dbraw/zinc/54/72/63/644547263.db2.gz KKXOLKARCJPCFW-RDJZCZTQSA-N 0 3 320.389 2.377 20 5 DEBDHN C[C@H](O)C[C@H]1CCCN1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000155443865 644872384 /nfs/dbraw/zinc/87/23/84/644872384.db2.gz JBKGFHSQEBIJPO-WCQYABFASA-N 0 3 304.350 2.137 20 5 DEBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@H]1CC2(CC2)C(=O)O1 ZINC000801600363 645422102 /nfs/dbraw/zinc/42/21/02/645422102.db2.gz OYXMEPDCVHWIIG-CQSZACIVSA-N 0 3 304.346 2.165 20 5 DEBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCNCC1(C)C ZINC000911847835 645854322 /nfs/dbraw/zinc/85/43/22/645854322.db2.gz RMNAUMUCSVOEIL-UHFFFAOYSA-N 0 3 309.391 2.141 20 5 DEBDHN COc1ccc(C(=O)CCCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813100070 646727719 /nfs/dbraw/zinc/72/77/19/646727719.db2.gz LQHMWRQDDLOCAF-NSHDSACASA-N 0 3 309.318 2.257 20 5 DEBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])c2c(n1)onc2C(C)C ZINC000813101796 646728836 /nfs/dbraw/zinc/72/88/36/646728836.db2.gz IVCWBIRSZMPQGF-SECBINFHSA-N 0 3 307.306 2.477 20 5 DEBDHN CC(COC(=O)c1cccc(Nc2ncccn2)c1)[N+](=O)[O-] ZINC000813102134 646728863 /nfs/dbraw/zinc/72/88/63/646728863.db2.gz BTDZAUXSZPCPSY-SNVBAGLBSA-N 0 3 302.290 2.042 20 5 DEBDHN CC(C)c1c(C(=O)OCC(C)[N+](=O)[O-])cnn1-c1ccccn1 ZINC000813102509 646728969 /nfs/dbraw/zinc/72/89/69/646728969.db2.gz GXCLPULFSQVEIS-NSHDSACASA-N 0 3 318.333 2.213 20 5 DEBDHN CCCN(CC)C(=O)c1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813101940 646729008 /nfs/dbraw/zinc/72/90/08/646729008.db2.gz LPXWVUFNPMLPLQ-LBPRGKRZSA-N 0 3 322.361 2.381 20 5 DEBDHN CC(COC(=O)CC1(NC(=O)OC(C)(C)C)CCC1)[N+](=O)[O-] ZINC000813106715 646729616 /nfs/dbraw/zinc/72/96/16/646729616.db2.gz GTOXCDYAPMQLFY-SNVBAGLBSA-N 0 3 316.354 2.032 20 5 DEBDHN COc1ccc(-c2ocnc2C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813109478 646730369 /nfs/dbraw/zinc/73/03/69/646730369.db2.gz UGYXMCWAXPPKOR-SECBINFHSA-N 0 3 306.274 2.172 20 5 DEBDHN CSc1nccn1-c1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813110393 646730417 /nfs/dbraw/zinc/73/04/17/646730417.db2.gz ZPFDUOPRPHGKQP-SNVBAGLBSA-N 0 3 321.358 2.416 20 5 DEBDHN CC(COC(=O)c1cc(OCc2ccccc2)ccn1)[N+](=O)[O-] ZINC000813107603 646730699 /nfs/dbraw/zinc/73/06/99/646730699.db2.gz OVPUVWIIVFKEOW-LBPRGKRZSA-N 0 3 316.313 2.483 20 5 DEBDHN CC(COC(=O)Cc1cccc(OCC(F)(F)F)c1)[N+](=O)[O-] ZINC000813111584 646731161 /nfs/dbraw/zinc/73/11/61/646731161.db2.gz VIMGYVHDQRTBBW-VIFPVBQESA-N 0 3 321.251 2.379 20 5 DEBDHN COCCn1cc(C(=O)OCC(C)[N+](=O)[O-])c2ccccc21 ZINC000813110564 646731476 /nfs/dbraw/zinc/73/14/76/646731476.db2.gz DNIAULAYKDZVCX-NSHDSACASA-N 0 3 306.318 2.110 20 5 DEBDHN CC(C)NC(=O)Nc1cccc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813113812 646732764 /nfs/dbraw/zinc/73/27/64/646732764.db2.gz JJUXNKWKJBGHIV-SNVBAGLBSA-N 0 3 309.322 2.039 20 5 DEBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])c(C)n1Cc1ccncc1 ZINC000813113451 646732783 /nfs/dbraw/zinc/73/27/83/646732783.db2.gz QBXPFHCACFGGNZ-GFCCVEGCSA-N 0 3 317.345 2.370 20 5 DEBDHN C/C=C/c1ccc(OCC(=O)OCC(C)[N+](=O)[O-])c(OC)c1 ZINC000813113848 646732810 /nfs/dbraw/zinc/73/28/10/646732810.db2.gz JVPNAGYEKBRQIF-ZWNMCFTASA-N 0 3 309.318 2.316 20 5 DEBDHN CC(COC(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1)[N+](=O)[O-] ZINC000813113775 646732831 /nfs/dbraw/zinc/73/28/31/646732831.db2.gz VNCLKYSSEKTJFQ-BREBYQMCSA-N 0 3 306.318 2.103 20 5 DEBDHN CC(COC(=O)c1ccc2nc(C(F)(F)F)cn2c1)[N+](=O)[O-] ZINC000813114843 646733153 /nfs/dbraw/zinc/73/31/53/646733153.db2.gz HRNFIRYBTYIPNX-ZETCQYMHSA-N 0 3 317.223 2.175 20 5 DEBDHN O=[N+]([O-])c1cc(Cl)ccc1CNCCSCCCO ZINC000230789218 646746805 /nfs/dbraw/zinc/74/68/05/646746805.db2.gz FBDWLPFVYDURSR-UHFFFAOYSA-N 0 3 304.799 2.453 20 5 DEBDHN Cc1cc(F)cc(C(=O)N(C)C[C@@H]2CCCN2C)c1[N+](=O)[O-] ZINC000817490293 647304146 /nfs/dbraw/zinc/30/41/46/647304146.db2.gz BWBFUVQQSWTZBL-LBPRGKRZSA-N 0 3 309.341 2.209 20 5 DEBDHN O=[N+]([O-])c1cc(CNC[C@@H](O)C2CC2)cc(C(F)(F)F)c1 ZINC000819270453 647622828 /nfs/dbraw/zinc/62/28/28/647622828.db2.gz ZOKGDPSFUICLQN-GFCCVEGCSA-N 0 3 304.268 2.474 20 5 DEBDHN C[C@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)NCC[N+](=O)[O-] ZINC000929971732 647988277 /nfs/dbraw/zinc/98/82/77/647988277.db2.gz MAWXMYHFKUVTCR-WFASDCNBSA-N 0 3 315.414 2.326 20 5 DEBDHN C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2F)CN1C1CC1 ZINC000829863582 649366245 /nfs/dbraw/zinc/36/62/45/649366245.db2.gz PUUGUIMRZPCTIG-ZJUUUORDSA-N 0 3 307.325 2.089 20 5 DEBDHN O=[N+]([O-])c1ccc2c(cnn2CN2CCN(C3CCC3)CC2)c1 ZINC000733295648 649538916 /nfs/dbraw/zinc/53/89/16/649538916.db2.gz CGFZOBWTLMZFKI-UHFFFAOYSA-N 0 3 315.377 2.072 20 5 DEBDHN CC(C)N1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000832295745 649693706 /nfs/dbraw/zinc/69/37/06/649693706.db2.gz HBXNEZJLRSDJSJ-LLVKDONJSA-N 0 3 309.341 2.337 20 5 DEBDHN CN1C[C@H]2CCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000832690130 649735968 /nfs/dbraw/zinc/73/59/68/649735968.db2.gz CKOSKAYCMMQKRB-ZWNOBZJWSA-N 0 3 309.753 2.024 20 5 DEBDHN CN1C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)[C@@H]2C1 ZINC000832691667 649736079 /nfs/dbraw/zinc/73/60/79/649736079.db2.gz QURKTXFCWCTZKU-NOZJJQNGSA-N 0 3 309.753 2.024 20 5 DEBDHN CC([C@H](OC(=O)Cc1cnn(C)c1)c1ccccc1F)[N+](=O)[O-] ZINC000845877515 651291551 /nfs/dbraw/zinc/29/15/51/651291551.db2.gz SHSUFYLNKYMMPD-BMIGLBTASA-N 0 3 321.308 2.051 20 5 DEBDHN CC([C@@H](OC(=O)c1cncn1C)c1ccccc1F)[N+](=O)[O-] ZINC000845881508 651292152 /nfs/dbraw/zinc/29/21/52/651292152.db2.gz LNAAQIUJUHLQNC-NOZJJQNGSA-N 0 3 307.281 2.123 20 5 DEBDHN Cc1cc(C(=O)N(C)CCN2CCCCC2)c(N)c([N+](=O)[O-])c1 ZINC000846613155 651341230 /nfs/dbraw/zinc/34/12/30/651341230.db2.gz BWXWBBAYLQTOOU-UHFFFAOYSA-N 0 3 320.393 2.043 20 5 DEBDHN C[C@H](COC(=O)c1ccc(N)c([N+](=O)[O-])c1)N1CCCCC1 ZINC000847959830 651429723 /nfs/dbraw/zinc/42/97/23/651429723.db2.gz VMVMULRCMCGCCP-LLVKDONJSA-N 0 3 307.350 2.208 20 5 DEBDHN O=C1O[C@@H](CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])CN1C1CC1 ZINC000848573714 651473093 /nfs/dbraw/zinc/47/30/93/651473093.db2.gz JFOPCARLHVIDBL-SMDDNHRTSA-N 0 3 317.345 2.155 20 5 DEBDHN O=C1O[C@H](CNC/C=C/c2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000848578033 651474073 /nfs/dbraw/zinc/47/40/73/651474073.db2.gz MRXYCTGWYBJVRC-LYKUJDHUSA-N 0 3 317.345 2.181 20 5 DEBDHN CCN(C(=O)c1cc(F)ccc1[N+](=O)[O-])[C@H]1CCN(CC)C1 ZINC000855491111 651709500 /nfs/dbraw/zinc/70/95/00/651709500.db2.gz NWXOXOSIIFWADJ-LBPRGKRZSA-N 0 3 309.341 2.290 20 5 DEBDHN CC(=O)c1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1OC(C)C ZINC000851037261 652050468 /nfs/dbraw/zinc/05/04/68/652050468.db2.gz UJZNFRRAEIKRTQ-SNVBAGLBSA-N 0 3 309.318 2.498 20 5 DEBDHN O=C1OCCN1C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000852723345 652444387 /nfs/dbraw/zinc/44/43/87/652444387.db2.gz RVIUEYQJSBMDLC-UHFFFAOYSA-N 0 3 319.361 2.054 20 5 DEBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1cc([N+](=O)[O-])ccc1Cl ZINC000078651034 683965177 /nfs/dbraw/zinc/96/51/77/683965177.db2.gz XBXZIBXUDNNRIC-LLVKDONJSA-N 0 3 323.780 2.462 20 5 DEBDHN COCCN1[C@H](C)CN(Cc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000129950289 684183666 /nfs/dbraw/zinc/18/36/66/684183666.db2.gz WZKISANEYJHTMG-OKILXGFUSA-N 0 3 321.421 2.444 20 5 DEBDHN C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])NC[C@@H](O)C(F)(F)F ZINC000866241261 687504938 /nfs/dbraw/zinc/50/49/38/687504938.db2.gz ZXANADVWKSCLLG-WRWORJQWSA-N 0 3 310.247 2.178 20 5 DEBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H]1COCCO1 ZINC000872025117 688915049 /nfs/dbraw/zinc/91/50/49/688915049.db2.gz ZNTQRUGYYCAJMW-JQWIXIFHSA-N 0 3 312.391 2.383 20 5 DEBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@]1(O)CCOC1 ZINC000872050432 688920075 /nfs/dbraw/zinc/92/00/75/688920075.db2.gz AJLWBGPAFYQEED-QMTHXVAHSA-N 0 3 312.391 2.119 20 5 DEBDHN O=C(NC[C@@H]1Cc2ccccc2CN1)c1ccc([N+](=O)[O-])s1 ZINC000877345931 690083625 /nfs/dbraw/zinc/08/36/25/690083625.db2.gz DELXZYLIXLBFPY-LBPRGKRZSA-N 0 3 317.370 2.101 20 5 DEBDHN C[C@](CO)(NC[C@H]1CCC2(CCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000879273371 690607901 /nfs/dbraw/zinc/60/79/01/690607901.db2.gz UMHGTNFAQOKWIP-HZPDHXFCSA-N 0 3 320.389 2.494 20 5 DEBDHN CS(=O)(=O)[C@H]1C[C@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000883375244 691493134 /nfs/dbraw/zinc/49/31/34/691493134.db2.gz HAAHBQKCNGORBK-WHOFXGATSA-N 0 3 324.402 2.137 20 5 DEBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCN1CCCC1 ZINC000931898019 694500805 /nfs/dbraw/zinc/50/08/05/694500805.db2.gz WNRQCFOHAFWOAN-UHFFFAOYSA-N 0 3 323.418 2.485 20 5 DEBDHN COC[C@@H](NCc1ccc([N+](=O)[O-])cc1F)[C@H]1CCCOC1 ZINC000886357487 692065501 /nfs/dbraw/zinc/06/55/01/692065501.db2.gz HUSRSGNXFFKLRV-SWLSCSKDSA-N 0 3 312.341 2.265 20 5 DEBDHN COC[C@H](NCc1cc(F)ccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000886908407 692227423 /nfs/dbraw/zinc/22/74/23/692227423.db2.gz SMYPFLCAANTYHD-FZMZJTMJSA-N 0 3 312.341 2.265 20 5 DEBDHN C[C@]1([C@H]2CCCN(Cc3cccc([N+](=O)[O-])c3)C2)COC(=O)N1 ZINC000932025778 694531285 /nfs/dbraw/zinc/53/12/85/694531285.db2.gz HFQPKOKOZDNJTP-XJKSGUPXSA-N 0 3 319.361 2.305 20 5 DEBDHN COc1c(O)ccc(CN[C@@H]2C[C@@H](OC)C23CCC3)c1[N+](=O)[O-] ZINC000894858438 692989469 /nfs/dbraw/zinc/98/94/69/692989469.db2.gz GJCFJVCHHVEOQX-CHWSQXEVSA-N 0 3 322.361 2.356 20 5 DEBDHN COc1c([O-])ccc(C[NH2+][C@@H]2C[C@@H](OC)C23CCC3)c1[N+](=O)[O-] ZINC000894858438 692989475 /nfs/dbraw/zinc/98/94/75/692989475.db2.gz GJCFJVCHHVEOQX-CHWSQXEVSA-N 0 3 322.361 2.356 20 5 DEBDHN